Cellular tumor antigen p53

UniProt: P04637 | Entrez Gene: 7157
Basic Information

Protein Structure Visualization

Available PDB Structures:
Full Name:
Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor p53)
Entry Name:
P53_HUMAN
Gene Symbol:
TP53
P53
HUMAN PROTEIN ATLAS:
TP53
Protein Family:
P53 family
Reviewed Status:
reviewed
Organism:
Homo sapiens (Human)
Protein Length:
393 amino acids
Function Main Class:
gene-specific transcriptional regulator
Function Sub Class:
DNA-binding transcription factor
Subcellular Location:
Cytoplasm
Nucleus
Nucleus, PML body
Endoplasmic reticulum
Mitochondrion matrix
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome
Tissue Specificity:

Ubiquitous. Isoforms are expressed in a wide range of normal tissues but in a tissue-dependent manner. Isoform 2 is expressed in most normal tissues but is not detected in brain, lung, prostate, muscle, fetal brain, spinal cord and fetal liver. Isoform 3 is expressed in most normal tissues but is not detected in lung, spleen, testis, fetal brain, spinal cord and fetal liver. Isoform 7 is expressed in most normal tissues but is not detected in prostate, uterus, skeletal muscle and breast. Isoform 8 is detected only in colon, bone marrow, testis, fetal brain and intestine. Isoform 9 is expressed in most normal tissues but is not detected in brain, heart, lung, fetal liver, salivary gland, breast or intestine.

ECO:0000269 PubMed:16131611
Comprehensive Drug-Protein-ADE Network

Molecular Mechanism for Drug-ADE Associations

2966 Total Drugs
490 Unique Drugs
106 Unique ADEs
0 High Confidence
Loading DTA associations...
ADE Molecular Mechanism Mapping

Comprehensive Information for Personalized ADE

Comprehensive Information and Reliability for Drug-ADE Association

DTA Confidence Level
Layout Style
Show Labels
Total ADEs
113
8 High | 95 Medium | 7 Low Confidence
Total Drugs
684
3 Valid | 52 High | 435 Medium | 194 Low Confidence
ADE Confidence Profile
94%
Known/High-confidence interactions
Drug Confidence Profile
72%
Known/High-confidence interactions

This interactive network visualization shows the relationships between the 113 ADEs and 684 drugs associated with this target.

Adverse Drug Event (ADE)
Drug
Protein Target
113 ADEs 684 Drugs

ADE Type Distribution (Pie Chart)

ADE Type Distribution (Bar Chart)

Showing 1-5 of 0 ADEs

ADE 1 Adenoma

UMLS: C0001430 MeSH: D000236 Severity: Moderate
Medical Classification
C04.557.470.035
Literature References
PMID: 21946351
Definition
A benign epithelial tumor with a glandular organization.

ADE 2 Adrenal Neoplasm

UMLS: C0001624 MeSH: D000310 Severity: Severe
Medical Classification
C04.588.322.078 C19.053.347 C19.344.078
Literature References
PMID: 24747643
Definition
Tumors or cancer of the ADRENAL GLANDS.

ADE 3 Amyotrophic Lateral Sclerosis

UMLS: C0002736 MeSH: D000690 Severity: Critical
Medical Classification
C10.228.854.139 C10.574.562.250 C10.574.950.050 C10.668.467.250 C18.452.845.800.050
Literature References
PMID: 17434459
Definition
A degenerative disorder affecting upper MOTOR NEURONS in the brain and lower motor neurons in the brain stem and SPINAL CORD. Disease onset is usually after the age of 50 and the process is usually fatal within 3 to 6 years. Clinical manifestations include progressive weakness, atrophy, FASCICULATION, hyperreflexia, DYSARTHRIA, dysphagia, and eventual paralysis of respiratory function. Pathologic features include the replacement of motor neurons with fibrous ASTROCYTES and atrophy of anterior SPINAL NERVE ROOTS and corticospinal tracts. (From Adams et al., Principles of Neurology, 6th ed, pp1089-94)

ADE 4 Balkan Nephritis Syndrome

UMLS: C0004698 MeSH: D001449
Medical Classification
C12.777.419.570.643.150 C13.351.968.419.570.643.150
Literature References
PMID: 22071594
Definition
A form of chronic interstitial nephritis that is endemic to limited areas of BULGARIA, the former YUGOSLAVIA, and ROMANIA. It is characterized by a progressive shrinking of the KIDNEYS that is often associated with uroepithelial tumors.

ADE 5 Bladder Cancer

UMLS: C0005684 MeSH: D001749 Severity: Severe
Medical Classification
C04.588.945.947.960 C12.758.820.968 C12.777.829.813 C13.351.937.820.945 C13.351.968.829.707
Literature References
PMID: 12376482 PMID: 15906354 PMID: 22929185 PMID: 29644616 PMID: 9610789

ADE 6 Bladder Neoplasm

UMLS: C0005695 MeSH: D001749 Severity: Moderate
Medical Classification
C04.588.945.947.960 C12.758.820.968 C12.777.829.813 C13.351.937.820.945 C13.351.968.829.707
Literature References
PMID: 12376482 PMID: 15906354 PMID: 22929185 PMID: 29644616 PMID: 9610789
Definition
Tumors or cancer of the URINARY BLADDER.

ADE 7 Breast Cancer

UMLS: C0006142 MeSH: D001943 Severity: Severe
Medical Classification
C04.588.180 C17.800.090.500
Literature References
PMID: 15802278 PMID: 16968874 PMID: 17388661 PMID: 26192916 PMID: 26229107... and 2 more references

ADE 8 Calcinosis

UMLS: C0006663 MeSH: D002114 Severity: Moderate
Medical Classification
C18.452.174.130
Literature References
PMID: 29358327
Definition
Pathologic deposition of calcium salts in tissues.

ADE 9 Carcinoma

UMLS: C0007097 MeSH: D002277 Severity: Critical
Medical Classification
C04.557.470.200
Literature References
PMID: 17450239 PMID: 9626339
Definition
A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.

ADE 10 Colon Cance

UMLS: C0007102 MeSH: D003110 Severity: Severe
Medical Classification
C04.588.274.476.411.307.180 C06.301.371.411.307.180 C06.405.249.411.307.180 C06.405.469.158.356.180 C06.405.469.491.307.180
Literature References
PMID: 17075118 PMID: 17192441 PMID: 26192916

ADE 11 Skin Cancer

UMLS: C0007114 MeSH: D012878 Severity: Severe
Medical Classification
C04.588.805 C17.800.882
Literature References
PMID: 12635827

ADE 12 Malignant Neoplasm of Thyroid

UMLS: C0007115 MeSH: D013964 Severity: Severe
Medical Classification
C04.588.322.894 C04.588.443.915 C19.344.894 C19.874.788
Literature References
PMID: 16940797

ADE 13 Basal Cell Carcinoma

UMLS: C0007117 MeSH: D002280 Severity: Moderate
Medical Classification
C04.557.470.200.165 C04.557.470.565.165
Literature References
PMID: 11511317 PMID: 21946351 PMID: 26950094

ADE 14 Lung Cancer Non Small Cell

UMLS: C0007131 MeSH: D002289 Severity: Critical
Medical Classification
C04.588.894.797.520.109.220.249 C08.381.540.140.500 C08.785.520.100.220.500
Literature References
PMID: 17290066 PMID: 23435014 PMID: 24688052 PMID: 30381462
Definition
A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.

ADE 15 Adenocarcinoma Of Kidney

UMLS: C0007134 MeSH: D002292 Severity: Critical
Medical Classification
C04.557.470.200.025.390 C04.588.945.947.535.160 C12.758.820.750.160 C12.777.419.473.160 C13.351.937.820.535.160 C13.351.968.419.473.160
Literature References
PMID: 17275163 PMID: 22138691 PMID: 23797736 PMID: 25401301
Definition
A heterogeneous group of sporadic or hereditary carcinoma derived from cells of the KIDNEYS. There are several subtypes including the clear cells, the papillary, the chromophobe, the collecting duct, the spindle cells (sarcomatoid), or mixed cell-type carcinoma.

ADE 16 Carcinoma Squamous

UMLS: C0007137 MeSH: D002294 Severity: Severe
Medical Classification
C04.557.470.200.400 C04.557.470.700.400
Literature References
PMID: 17979968 PMID: 24224046
Definition
A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)

ADE 17 Carcinoma, Urothelial, Malignant

UMLS: C0007138 MeSH: D002295 Severity: Severe
Medical Classification
C04.557.470.200.430
Literature References
PMID: 22929185
Definition
A malignant neoplasm derived from TRANSITIONAL EPITHELIAL CELLS, occurring chiefly in the URINARY BLADDER; URETERS; or RENAL PELVIS.

ADE 18 Cardiomyopathy Hypertrophic

UMLS: C0007194 MeSH: D002312 Severity: Severe
Medical Classification
C14.280.238.100 C14.280.484.150.070.160
Literature References
PMID: 22000973
Definition
A form of CARDIAC MUSCLE disease, characterized by left and/or right ventricular hypertrophy (HYPERTROPHY, LEFT VENTRICULAR; HYPERTROPHY, RIGHT VENTRICULAR), frequent asymmetrical involvement of the HEART SEPTUM, and normal or reduced left ventricular volume. Risk factors include HYPERTENSION; AORTIC STENOSIS; and gene MUTATION; (FAMILIAL HYPERTROPHIC CARDIOMYOPATHY).

ADE 19 Carotid Artery Disease

UMLS: C0007273 MeSH: D002340 Severity: Moderate
Medical Classification
C10.228.140.300.200 C14.907.253.123
Literature References
PMID: 16973168
Definition
Pathological conditions involving the CAROTID ARTERIES, including the common, internal, and external carotid arteries. ATHEROSCLEROSIS and TRAUMA are relatively frequent causes of carotid artery pathology.

ADE 20 Cell Death

UMLS: C0007587 MeSH: D016923 Severity: Severe
Medical Classification
G04.146
Literature References
PMID: 30053268
Definition
The termination of the cell's ability to carry out vital functions such as metabolism, growth, reproduction, responsiveness, and adaptability.

ADE 21 Oncogenesis

UMLS: C0007621 MeSH: D002471
Medical Classification
C04.697.098.500 C23.550.727.098.500
Literature References
PMID: 15550242
Definition
Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.

ADE 22 Brain Ischemia

UMLS: C0007786 MeSH: D002545
Medical Classification
C10.228.140.300.150 C14.907.253.092
Literature References
PMID: 19095966
Definition
Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.

ADE 23 Aberrant Chromosome

UMLS: C0008625 MeSH: D002869 Severity: Critical
Medical Classification
C23.550.210 G05.365.590.175
Literature References
PMID: 30053268
Definition
Abnormal number or structure of chromosomes. Chromosome aberrations may result in CHROMOSOME DISORDERS.

ADE 24 Colon Nos Mass

UMLS: C0009375 MeSH: D003110 Severity: Moderate
Medical Classification
C04.588.274.476.411.307.180 C06.301.371.411.307.180 C06.405.249.411.307.180 C06.405.469.158.356.180 C06.405.469.491.307.180
Literature References
PMID: 17075118 PMID: 17192441 PMID: 26192916
Definition
Tumors or cancer of the COLON.

ADE 25 Colon Rectal Cancer

UMLS: C0009402 MeSH: D015179 Severity: Critical
Medical Classification
C04.588.274.476.411.307 C06.301.371.411.307 C06.405.249.411.307 C06.405.469.158.356 C06.405.469.491.307 C06.405.469.860.180
Literature References
PMID: 12645814 PMID: 15172127 PMID: 15814641 PMID: 16110022 PMID: 16524972... and 3 more references

ADE 26 Colorectal Neoplasm

UMLS: C0009404 MeSH: D015179
Medical Classification
C04.588.274.476.411.307 C06.301.371.411.307 C06.405.249.411.307 C06.405.469.158.356 C06.405.469.491.307 C06.405.469.860.180
Literature References
PMID: 12645814 PMID: 15172127 PMID: 15814641 PMID: 16110022 PMID: 16524972... and 3 more references
Definition
Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.

ADE 27 Adenoid Cystic Carcinoma

UMLS: C0010606 MeSH: D003528 Severity: Severe
Medical Classification
C04.557.470.200.025.220
Literature References
PMID: 23685749
Definition
Carcinoma characterized by bands or cylinders of hyalinized or mucinous stroma separating or surrounded by nests or cords of small epithelial cells. When the cylinders occur within masses of epithelial cells, they give the tissue a perforated, sievelike, or cribriform appearance. Such tumors occur in the mammary glands, the mucous glands of the upper and lower respiratory tract, and the salivary glands. They are malignant but slow-growing, and tend to spread locally via the nerves. (Dorland, 27th ed)

ADE 28 Demyelinating Disease

UMLS: C0011303 MeSH: D003711
Medical Classification
C10.314
Literature References
PMID: 18550754
Definition
Diseases characterized by loss or dysfunction of myelin in the central or peripheral nervous system.

ADE 29 Axon Demyelination

UMLS: C0011304 MeSH: D003711 Severity: Severe
Medical Classification
C10.314
Literature References
PMID: 18550754

ADE 30 Diabetes Mellitus, Experimental

UMLS: C0011853 MeSH: D003921
Medical Classification
C18.452.394.750.074 C19.246.240 E05.598.500.374
Literature References
PMID: 23792339
Definition
Diabetes mellitus induced experimentally by administration of various diabetogenic agents or by PANCREATECTOMY.

ADE 31 Emphysema

UMLS: C0013990 MeSH: D004646 Severity: Severe
Medical Classification
C23.550.325
Literature References
PMID: 22276220
Definition
A pathological accumulation of air in tissues or organs.

ADE 32 Esophageal Neoplasm

UMLS: C0014859 MeSH: D004938 Severity: Severe
Medical Classification
C04.588.274.476.205 C04.588.443.353 C06.301.371.205 C06.405.117.430 C06.405.249.205
Literature References
PMID: 17634542 PMID: 26192916
Definition
Tumors or cancer of the ESOPHAGUS.

ADE 33 Gallbladder Neoplasm

UMLS: C0016978 MeSH: D005706 Severity: Severe
Medical Classification
C04.588.274.120.401 C06.130.320.401 C06.130.564.401 C06.301.120.401
Literature References
PMID: 24185509 PMID: 24997986
Definition
Tumors or cancer of the gallbladder.

ADE 34 Glioma

UMLS: C0017638 MeSH: D005910 Severity: Critical
Medical Classification
C04.557.465.625.600.380 C04.557.470.670.380 C04.557.580.625.600.380
Literature References
PMID: 16899598 PMID: 21946351 PMID: 24705251
Definition
Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)

ADE 35 Angiosarcoma

UMLS: C0018923 MeSH: D006394 Severity: Critical
Medical Classification
C04.557.450.795.390 C04.557.645.390
Literature References
PMID: 10626228
Definition
A rare malignant neoplasm characterized by rapidly proliferating, extensively infiltrating, anaplastic cells derived from blood vessels and lining irregular blood-filled or lumpy spaces. (Stedman, 25th ed)

ADE 36 High Blood Pressure

UMLS: C0020538 MeSH: D006973 Severity: Moderate
Medical Classification
C14.907.489
Literature References
PMID: 22228705
Pharmacogenomic InformationPharmGKB
PharmGKB Reference:
PA444552
CYP2C19 poor metabolizer genotype
Effect: Increased Risk
rs1045642
Effect: Increased Risk
rs1065852
Effect: Increased Risk
Increased Risk:15
Total Variants:15
Definition
Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more.

ADE 37 Female Infertility

UMLS: C0021361 MeSH: D007247 Severity: Moderate
Medical Classification
C13.351.500.365.700
Literature References
PMID: 22532853
Definition
Diminished or absent ability of a female to achieve conception.

ADE 38 Infertility Male

UMLS: C0021364 MeSH: D007248 Severity: Moderate
Medical Classification
C12.294.365.700
Literature References
PMID: 22773013
Definition
The inability of the male to effect FERTILIZATION of an OVUM after a specified period of unprotected intercourse. Male sterility is permanent infertility.

ADE 39 Ischemia

UMLS: C0022116 MeSH: D007511 Severity: Moderate
Medical Classification
C23.550.513
Literature References
PMID: 15172883
Definition
A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION.

ADE 40 Dermal Hyperkeratosis

UMLS: C0022593 MeSH: D007642
Medical Classification
C17.800.428
Literature References
PMID: 16930632 PMID: 28785074
Definition
Any horny growth such as a wart or callus.

ADE 41 Acute Kidney Failure

UMLS: C0022660 MeSH: D058186 Severity: Moderate
Medical Classification
C12.777.419.780.050 C13.351.968.419.780.050
Literature References
PMID: 20603111

ADE 42 B-Cell Chronic Lymphocytic Leukemia

UMLS: C0023434 MeSH: D015451 Severity: Critical
Medical Classification
C04.557.337.428.080.125 C15.604.515.560.080.125 C20.683.515.528.080.125
Literature References
PMID: 16439677
Definition
A chronic leukemia characterized by abnormal B-lymphocytes and often generalized lymphadenopathy. In patients presenting predominately with blood and bone marrow involvement it is called chronic lymphocytic leukemia (CLL); in those predominately with enlarged lymph nodes it is called small lymphocytic lymphoma. These terms represent spectrums of the same disease.

ADE 43 Decreased Blood Leukocyte Number

UMLS: C0023530 MeSH: D007970|D009503 Severity: Severe
Medical Classification
C15.378.553.546 C15.378.553.546.184.564
Literature References
PMID: 30053268
Pharmacogenomic InformationPharmGKB
PharmGKB Reference:
PA444773
CYP2C9 poor metabolizer
Effect: Increased Risk
CYP3A5*1, CYP3A5*3
Effect: Increased Risk
DPYD c.2194G>A (*6)
Effect: Increased Risk
DPYD c.1627A>G (*5)
Effect: Decreased Risk
rs16952570
Effect: Decreased Risk
rs1933437
Effect: Decreased Risk
Increased Risk:71
Decreased Risk:18
Total Variants:89
Definition
A decrease in the number of LEUKOCYTES in a blood sample below the normal range (LEUKOCYTE COUNT less than 4000).

ADE 44 Parasitic Liver Disorder

UMLS: C0023897 MeSH: D008109
Medical Classification
C03.518 C06.552.664
Literature References
PMID: 22561520
Definition
Liver diseases caused by infections with PARASITES, such as tapeworms (CESTODA) and flukes (TREMATODA).

ADE 45 Hepatic Neoplasia

UMLS: C0023903 MeSH: D008113 Severity: Severe
Medical Classification
C04.588.274.623 C06.301.623 C06.552.697
Literature References
PMID: 12378512 PMID: 16410370
Definition
Tumors or cancer of the LIVER.

ADE 46 Liver Neoplasms, Experimental

UMLS: C0023904 MeSH: D008114
Medical Classification
C04.588.274.623.460 C04.619.540 C06.301.623.460 C06.552.697.580 E05.598.500.496.750
Literature References
PMID: 10626228
Definition
Experimentally induced tumors of the LIVER.

ADE 47 Airway Obstruction Chronic

UMLS: C0024117 MeSH: D029424 Severity: Moderate
Medical Classification
C08.381.495.389
Literature References
PMID: 17274270
Definition
A disease of chronic diffuse irreversible airflow obstruction. Subcategories of COPD include CHRONIC BRONCHITIS and PULMONARY EMPHYSEMA.

ADE 48 Cancer Of Stomach

UMLS: C0024623 MeSH: D013274 Severity: Critical
Medical Classification
C04.588.274.476.767 C06.301.371.767 C06.405.249.767 C06.405.748.789
Literature References
PMID: 22484628 PMID: 24816253

ADE 49 Malignant Melanoma

UMLS: C0025202 MeSH: D008545 Severity: Severe
Medical Classification
C04.557.465.625.650.510 C04.557.580.625.650.510 C04.557.665.510
Literature References
PMID: 17210701 PMID: 21691232 PMID: 22842228 PMID: 29574239
Definition
A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)

ADE 50 Lesion Of Mouth

UMLS: C0026640 MeSH: D009062 Severity: Severe
Medical Classification
C04.588.443.591 C07.465.530
Literature References
PMID: 24224046
Definition
Tumors or cancer of the MOUTH.

ADE 51 Disease;Myeloproliferative

UMLS: C0027022 MeSH: D009196 Severity: Severe
Medical Classification
C15.378.190.636
Literature References
PMID: 29370077
Definition
Conditions which cause proliferation of hemopoietically active tissue or of tissue which has embryonic hemopoietic potential. They all involve dysregulation of multipotent MYELOID PROGENITOR CELLS, most often caused by a mutation in the JAK2 PROTEIN TYROSINE KINASE.

ADE 52 Metastasis

UMLS: C0027627 MeSH: D009362 Severity: Severe
Medical Classification
C04.697.650 C23.550.727.650
Literature References
PMID: 17949449
Definition
The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.

ADE 53 Neoplasm

UMLS: C0027651 MeSH: D009369 Severity: Severe
Medical Classification
C04
Literature References
PMID: 30053268
Definition
New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.

ADE 54 Embryonal Nephroma

UMLS: C0027708 MeSH: D009396 Severity: Critical
Medical Classification
C04.557.435.595 C04.588.945.947.535.585 C04.700.900 C12.758.820.750.585 C12.777.419.473.585 C13.351.937.820.535.585 C13.351.968.419.473.585 C16.320.700.900
Literature References
PMID: 28825729
Definition
A malignant kidney tumor, caused by the uncontrolled multiplication of renal stem (blastemal), stromal (STROMAL CELLS), and epithelial (EPITHELIAL CELLS) elements. However, not all three are present in every case. Several genes or chromosomal areas have been associated with Wilms tumor which is usually found in childhood as a firm lump in a child's side or ABDOMEN.

ADE 55 Neoplasia Of The Penis

UMLS: C0030849 MeSH: D010412 Severity: Moderate
Medical Classification
C04.588.945.440.715 C12.294.260.500 C12.294.494.591 C12.758.409.500
Literature References
PMID: 9626339
Definition
Cancers or tumors of the PENIS or of its component tissues.

ADE 56 Polyploidy

UMLS: C0032578 MeSH: D011123
Medical Classification
C23.550.210.702 G05.365.590.175.677 G05.700.740
Literature References
PMID: 25125259
Definition
The chromosomal constitution of a cell containing multiples of the normal number of CHROMOSOMES; includes triploidy (symbol: 3N), tetraploidy (symbol: 4N), etc.

ADE 57 Neoplasm Of Prostate

UMLS: C0033578 MeSH: D011471 Severity: Severe
Medical Classification
C04.588.945.440.770 C12.294.260.750 C12.294.565.625 C12.758.409.750
Literature References
PMID: 16434975 PMID: 17202838 PMID: 20875869 PMID: 21946351 PMID: 25735316... and 3 more references
Definition
Tumors or cancer of the PROSTATE.

ADE 58 Psoriasis

UMLS: C0033860 MeSH: D011565 Severity: Moderate
Medical Classification
C17.800.859.675
Literature References
PMID: 10384915
Pharmacogenomic InformationPharmGKB
PharmGKB Reference:
PA445451
rs10782001
Effect: Increased Risk
rs11209026
Effect: Increased Risk
rs1135216
Effect: Decreased Risk
rs3087243
Effect: Decreased Risk
rs651630
Effect: Decreased Risk
Increased Risk:2
Decreased Risk:3
Total Variants:5
Definition
A common genetically determined, chronic, inflammatory skin disease characterized by rounded erythematous, dry, scaling patches. The lesions have a predilection for nails, scalp, genitalia, extensor surfaces, and the lumbosacral region. Accelerated epidermopoiesis is considered to be the fundamental pathologic feature in psoriasis.

ADE 59 Dementia Praecox

UMLS: C0036341 MeSH: D012559 Severity: Moderate
Medical Classification
F03.700.750
Literature References
PMID: 18583979
Definition
A severe emotional disorder of psychotic depth characteristically marked by a retreat from reality with delusion formation, HALLUCINATIONS, emotional disharmony, and regressive behavior.

ADE 60 Sezary Syndrome

UMLS: C0036920 MeSH: D012751
Medical Classification
C04.557.386.480.750.800.775 C15.604.515.569.480.750.800.775 C15.604.515.841 C20.683.515.761.480.750.800.775 C20.683.515.920
Literature References
PMID: 26551667 PMID: 26551670
Definition
A form of cutaneous T-cell lymphoma manifested by generalized exfoliative ERYTHRODERMA; PRURITUS; peripheral lymphadenopathy, and abnormal hyperchromatic mononuclear (cerebriform) cells in the skin, LYMPH NODES, and peripheral blood (Sezary cells).

ADE 61 Cutaneous Neoplasm

UMLS: C0037286 MeSH: D012878 Severity: Moderate
Medical Classification
C04.588.805 C17.800.882
Literature References
PMID: 12635827
Definition
Tumors or cancer of the SKIN.

ADE 62 Gastric Tumor

UMLS: C0038356 MeSH: D013274 Severity: Severe
Medical Classification
C04.588.274.476.767 C06.301.371.767 C06.405.249.767 C06.405.748.789
Literature References
PMID: 22484628 PMID: 24816253
Definition
Tumors or cancer of the STOMACH.

ADE 63 Thymoma

UMLS: C0040100 MeSH: D013945 Severity: Severe
Medical Classification
C04.557.435.850 C04.588.894.949.500 C15.604.861.800
Literature References
PMID: 24974848
Definition
A neoplasm originating from thymic tissue, usually benign, and frequently encapsulated. Although it is occasionally invasive, metastases are extremely rare. It consists of any type of thymic epithelial cell as well as lymphocytes that are usually abundant. Malignant lymphomas that involve the thymus, e.g., lymphosarcoma, Hodgkin's disease (previously termed granulomatous thymoma), should not be regarded as thymoma. (From Stedman, 25th ed)

ADE 64 Neoplasm Of Thyroid

UMLS: C0040136 MeSH: D013964 Severity: Moderate
Medical Classification
C04.588.322.894 C04.588.443.915 C19.344.894 C19.874.788
Literature References
PMID: 16940797
Definition
Tumors or cancer of the THYROID GLAND.

ADE 65 Genitourinary Tract Neoplasm

UMLS: C0042065 MeSH: D014565 Severity: Severe
Medical Classification
C04.588.945 C12.758 C13.351.937
Literature References
PMID: 17300232
Definition
Tumors or cancer of the UROGENITAL SYSTEM in either the male or the female.

ADE 66 Neoplasm Of Urinary System

UMLS: C0042076 MeSH: D014571 Severity: Severe
Medical Classification
C04.588.945.947 C12.758.820 C13.351.937.820
Literature References
PMID: 22071594
Definition
Tumors or cancer of the URINARY TRACT in either the male or the female.

ADE 67 Li-Fraumeni Syndrome

UMLS: C0079419 MeSH: D016864 Severity: Critical
Medical Classification
C04.700.600 C16.320.700.600 C18.452.284.520
Literature References
PMID: 25860607

ADE 68 Lymphoma T Cell

UMLS: C0079772 MeSH: D016399 Severity: Critical
Medical Classification
C04.557.386.480.750 C15.604.515.569.480.750 C20.683.515.761.480.750
Literature References
PMID: 26192917
Definition
A group of heterogeneous lymphoid tumors representing malignant transformations of T-lymphocytes.

ADE 69 Cutaneous T-Cell Lymphoma

UMLS: C0079773 MeSH: D016410 Severity: Critical
Medical Classification
C04.557.386.480.750.800 C15.604.515.569.480.750.800 C20.683.515.761.480.750.800
Literature References
PMID: 26192916
Definition
A group of lymphomas exhibiting clonal expansion of malignant T-lymphocytes arrested at varying stages of differentiation as well as malignant infiltration of the skin. MYCOSIS FUNGOIDES; SEZARY SYNDROME; LYMPHOMATOID PAPULOSIS; and PRIMARY CUTANEOUS ANAPLASTIC LARGE CELL LYMPHOMA are the best characterized of these disorders.

ADE 70 Central Nervous System Neoplasm

UMLS: C0085136 MeSH: D016543 Severity: Critical
Medical Classification
C04.588.614.250 C10.551.240
Literature References
PMID: 26192916
Definition
Benign and malignant neoplastic processes that arise from or secondarily involve the brain, spinal cord, or meninges.

ADE 71 Adenoma Of Thyroid Gland

UMLS: C0151468 MeSH: D013964 Severity: Moderate
Medical Classification
C04.588.322.894 C04.588.443.915 C19.344.894 C19.874.788
Literature References
PMID: 16940797

ADE 72 Gallbladder Cancer

UMLS: C0153452 MeSH: D005706 Severity: Critical
Medical Classification
C04.588.274.120.401 C06.130.320.401 C06.130.564.401 C06.301.120.401
Literature References
PMID: 24185509 PMID: 24997986

ADE 73 Cancer Of Penis

UMLS: C0153601 MeSH: D010412 Severity: Severe
Medical Classification
C04.588.945.440.715 C12.294.260.500 C12.294.494.591 C12.758.409.500
Literature References
PMID: 9626339

ADE 74 Apoptosis

UMLS: C0162638 MeSH: D017209 Severity: Severe
Medical Classification
G04.146.160
Literature References
PMID: 30053268
Definition
A regulated cell death mechanism characterized by distinctive morphologic changes in the nucleus and cytoplasm, including the endonucleolytic cleavage of genomic DNA, at regularly spaced, internucleosomal sites, i.e., DNA FRAGMENTATION. It is genetically-programmed and serves as a balance to mitosis in regulating the size of animal tissues and in mediating pathologic processes associated with tumor growth.|Physiological forms of regulated cell death that occur during growth and development and tissue turnover.

ADE 75 Epithelioid Cell Sarcoma

UMLS: C0205944 MeSH: D012509 Severity: Critical
Medical Classification
C04.557.450.795
Literature References
PMID: 20601955

ADE 76 Spindle Cell Sarcoma

UMLS: C0205945 MeSH: D012509 Severity: Critical
Medical Classification
C04.557.450.795
Literature References
PMID: 20601955

ADE 77 Thymic Carcinoma

UMLS: C0205969 MeSH: D013945 Severity: Severe
Medical Classification
C04.557.435.850 C04.588.894.949.500 C15.604.861.800
Literature References
PMID: 24974848

ADE 78 Clear Cell Adenocarcinoma

UMLS: C0206681 MeSH: D018262
Medical Classification
C04.557.470.200.025.045
Literature References
PMID: 9754764
Definition
An adenocarcinoma characterized by the presence of varying combinations of clear and hobnail-shaped tumor cells. There are three predominant patterns described as tubulocystic, solid, and papillary. These tumors, usually located in the female reproductive organs, have been seen more frequently in young women since 1970 as a result of the association with intrauterine exposure to diethylstilbestrol. (From Holland et al., Cancer Medicine, 3d ed)

ADE 79 Adrenal Carcinoma

UMLS: C0206686 MeSH: D018268 Severity: Critical
Medical Classification
C04.557.470.200.025.152 C04.588.322.078.265.750 C19.053.098.265.750 C19.053.347.500.750 C19.344.078.265.750
Literature References
PMID: 23585556 PMID: 24747642 PMID: 9815696
Definition
A malignant neoplasm of the ADRENAL CORTEX. Adrenocortical carcinomas are unencapsulated anaplastic (ANAPLASIA) masses sometimes exceeding 20 cm or 200 g. They are more likely to be functional than nonfunctional, and produce ADRENAL CORTEX HORMONES that may result in hypercortisolism (CUSHING SYNDROME); HYPERALDOSTERONISM; and/or VIRILISM.

ADE 80 Adult Sarcoma Of Soft Tissue

UMLS: C0220613 MeSH: D012509 Severity: Critical
Medical Classification
C04.557.450.795
Literature References
PMID: 20601955

ADE 81 Course Of Illness

UMLS: C0242656 MeSH: D018450 Severity: Critical
Medical Classification
C23.550.291.656
Literature References
PMID: 30381462
Definition
The worsening of a disease over time. This concept is most often used for chronic and incurable diseases where the stage of the disease is an important determinant of therapy and prognosis.

ADE 82 Oat Cell Carcinoma

UMLS: C0262584 MeSH: D018288
Medical Classification
C04.557.470.200.380
Literature References
PMID: 17290066
Definition
An anaplastic, highly malignant, and usually bronchogenic carcinoma composed of small ovoid cells with scanty neoplasm. It is characterized by a dominant, deeply basophilic nucleus, and absent or indistinct nucleoli. (From Stedman, 25th ed; Holland et al., Cancer Medicine, 3d ed, p1286-7)

ADE 83 Acquired Hyperostosis Syndrome

UMLS: C0263859 MeSH: D020083 Severity: Moderate
Medical Classification
C05.116.099.708.025
Literature References
PMID: 19779722
Definition
Syndrome consisting of SYNOVITIS; ACNE CONGLOBATA; PALMOPLANTAR PUSTULOSIS; HYPEROSTOSIS; and OSTEITIS. The most common site of the disease is the upper anterior chest wall, characterized by predominantly osteosclerotic lesions, hyperostosis, and arthritis of the adjacent joints. The association of sterile inflammatory bone lesions and neutrophilic skin eruptions is indicative of this syndrome.

ADE 84 Cancer Of Liver

UMLS: C0279000 MeSH: D008113 Severity: Critical
Medical Classification
C04.588.274.623 C06.301.623 C06.552.697
Literature References
PMID: 12378512 PMID: 16410370

ADE 85 Esophageal Cancer Squamous Cell

UMLS: C0279626 MeSH: D000077277 Severity: Critical
Medical Classification
C04.557.470.200.400.330 C04.557.470.700.400.565 C04.588.274.476.205.500 C04.588.443.353.500 C06.301.371.205.500 C06.405.117.430.500 C06.405.249.205.500
Literature References
PMID: 25151357
Definition
A carcinoma that originates usually from cells on the surface of the middle and lower third of the ESOPHAGUS. Tumor cells exhibit typical squamous morphology and form large polypoid lesions. Mutations in RNF6, LZTS1, TGFBR2, DEC1, and WWOX1 genes are associated with this cancer.

ADE 86 Adenocarcinoma - Esophagus

UMLS: C0279628 MeSH: C562730 Severity: Critical
Literature References
PMID: 23525077

ADE 87 Clear Cell Adenocarcinoma Of Kidney

UMLS: C0279702 MeSH: D002292 Severity: Severe
Medical Classification
C04.557.470.200.025.390 C04.588.945.947.535.160 C12.758.820.750.160 C12.777.419.473.160 C13.351.937.820.535.160 C13.351.968.419.473.160
Literature References
PMID: 17275163 PMID: 22138691 PMID: 23797736 PMID: 25401301

ADE 88 Cell-Mediated Cytolysis

UMLS: C0301896 Severity: Severe
Literature References
PMID: 30053268

ADE 89 Arsenic And Its Compounds Poisoning

UMLS: C0311375 MeSH: D020261
Medical Classification
C10.720.475.150 C25.723.098
Literature References
PMID: 18621066 PMID: 19203779
Definition
Disorders associated with acute or chronic exposure to compounds containing ARSENIC (ARSENICALS) which may be fatal. Acute oral ingestion is associated with gastrointestinal symptoms and an encephalopathy which may manifest as SEIZURES, mental status changes, and COMA. Chronic exposure is associated with mucosal irritation, desquamating rash, myalgias, peripheral neuropathy, and white transverse (Mees) lines in the fingernails. (Adams et al., Principles of Neurology, 6th ed, p1212)

ADE 90 Cancer Of Prostate

UMLS: C0376358 MeSH: D011471 Severity: Critical
Medical Classification
C04.588.945.440.770 C12.294.260.750 C12.294.565.625 C12.758.409.750
Literature References
PMID: 16434975 PMID: 17202838 PMID: 20875869 PMID: 21946351 PMID: 25735316... and 3 more references

ADE 91 Aortic Valve Calcific

UMLS: C0428791 MeSH: C562942 Severity: Severe
Literature References
PMID: 29358327

ADE 92 Carcinoma Of Thyroid

UMLS: C0549473 MeSH: D013964
Medical Classification
C04.588.322.894 C04.588.443.915 C19.344.894 C19.874.788
Literature References
PMID: 16940797

ADE 93 Glioma, Malignant

UMLS: C0555198 MeSH: D005910 Severity: Critical
Medical Classification
C04.557.465.625.600.380 C04.557.470.670.380 C04.557.580.625.600.380
Literature References
PMID: 16899598 PMID: 21946351 PMID: 24705251

ADE 94 Ovarian Epithelial Cancer

UMLS: C0677886 MeSH: D000077216 Severity: Severe
Medical Classification
C04.557.470.200.295 C04.588.322.455.199 C13.351.500.056.630.705.350 C13.351.937.418.685.350 C19.344.410.199 C19.391.630.705.350
Literature References
PMID: 25535366

ADE 95 Decreased Blood Leukocyte Number

UMLS: C0750394 Severity: Moderate
Literature References
PMID: 30053268

ADE 96 Adrenal Gland Cancer

UMLS: C0750887 MeSH: D000310 Severity: Critical
Medical Classification
C04.588.322.078 C19.053.347 C19.344.078
Literature References
PMID: 24747643

ADE 97 Mitochondrial Diseases

UMLS: C0751651 MeSH: D028361
Medical Classification
C18.452.660
Literature References
PMID: 30673822
Definition
Diseases caused by abnormal function of the MITOCHONDRIA. They may be caused by mutations, acquired or inherited, in mitochondrial DNA or in nuclear genes that code for mitochondrial components. They may also be the result of acquired mitochondria dysfunction due to adverse effects of drugs, infections, or other environmental causes.

ADE 98 Cardiac Toxicity

UMLS: C0876994 MeSH: D066126 Severity: Severe
Medical Classification
C23.550.161 C25.100.389 C26.733.266 G01.750.748.500.266
Literature References
PMID: 30009776 PMID: 34713381
Pharmacogenomic InformationPharmGKB
PharmGKB Reference:
PA166128121
rs1056892
Effect: Increased Risk
rs1128503
Effect: Increased Risk
rs1136201
Effect: Increased Risk
rs1045642
Effect: Decreased Risk
rs1799945
Effect: Decreased Risk
rs1883112
Effect: Decreased Risk
Increased Risk:21
Decreased Risk:9
Total Variants:30
Definition
Damage to the HEART or its function secondary to exposure to toxic substances such as drugs used in CHEMOTHERAPY; IMMUNOTHERAPY; or RADIATION.

ADE 99 Neoplasm Of Ovary

UMLS: C0919267 MeSH: D010051 Severity: Severe
Medical Classification
C04.588.322.455 C13.351.500.056.630.705 C13.351.937.418.685 C19.344.410 C19.391.630.705
Literature References
PMID: 30258081
Definition
Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.

ADE 100 Head Neck Cancer Squamous Cell

UMLS: C1168401 MeSH: D000077195 Severity: Severe
Medical Classification
C04.557.470.200.400.565 C04.588.443.177
Literature References
PMID: 25086664 PMID: 30594912
Definition
The most common type of head and neck carcinoma that originates from cells on the surface of the NASAL CAVITY; MOUTH; PARANASAL SINUSES, SALIVARY GLANDS, and LARYNX. Mutations in TNFRSF10B, PTEN, and ING1 genes are associated with this cancer.

ADE 101 Duct Adenocarcinoma

UMLS: C1176475 MeSH: D044584
Medical Classification
C04.557.470.200.025.232 C04.557.470.615.132
Literature References
PMID: 29295717
Definition
Malignant neoplasms involving the ductal systems of any of a number of organs, such as the MAMMARY GLANDS, the PANCREAS, the PROSTATE, or the LACRIMAL GLAND.

ADE 102 Cancer Of Connective Tissue

UMLS: C1261473 MeSH: D012509 Severity: Critical
Medical Classification
C04.557.450.795
Literature References
PMID: 20601955
Definition
A connective tissue neoplasm formed by proliferation of mesodermal cells; it is usually highly malignant.

ADE 103 Chromophobe Renal Cell Carcinoma

UMLS: C1266042 MeSH: D002292 Severity: Mild
Medical Classification
C04.557.470.200.025.390 C04.588.945.947.535.160 C12.758.820.750.160 C12.777.419.473.160 C13.351.937.820.535.160 C13.351.968.419.473.160
Literature References
PMID: 17275163 PMID: 22138691 PMID: 23797736 PMID: 25401301

ADE 104 Chromophil Carcinoma Of Kidney

UMLS: C1306837 MeSH: D002292 Severity: Moderate
Medical Classification
C04.557.470.200.025.390 C04.588.945.947.535.160 C12.758.820.750.160 C12.777.419.473.160 C13.351.937.820.535.160 C13.351.968.419.473.160
Literature References
PMID: 17275163 PMID: 22138691 PMID: 23797736 PMID: 25401301

ADE 105 Breast Neoplasm

UMLS: C1458155 MeSH: D001943 Severity: Moderate
Medical Classification
C04.588.180 C17.800.090.500
Literature References
PMID: 15802278 PMID: 16968874 PMID: 17388661 PMID: 26192916 PMID: 26229107... and 2 more references
Definition
Tumors or cancer of the human BREAST.

ADE 106 Acute Lymphoblastic Leukemia, Precursor-Cell Type

UMLS: C1961102 MeSH: D054198
Medical Classification
C04.557.337.428.600 C15.604.515.560.600 C20.683.515.528.600
Literature References
PMID: 23334668
Definition
A neoplasm characterized by abnormalities of the lymphoid cell precursors leading to excessive lymphoblasts in the marrow and other organs. It is the most common cancer in children and accounts for the vast majority of all childhood leukemias.

ADE 107 Childhood Mds

UMLS: C2347761 MeSH: D009190 Severity: Critical
Medical Classification
C15.378.190.625
Literature References
PMID: 27992414

ADE 108 Chromosome 17 Deletion

UMLS: C2931713 MeSH: C538045
Literature References
PMID: 14961032

ADE 109 Cancer Of Nasopharynx

UMLS: C2931822 MeSH: D000077274
Medical Classification
C04.557.470.200.623 C04.588.443.665.710.650.500 C07.550.350.650.500 C07.550.745.650.500 C09.647.710.650.500 C09.775.350.650.500 C09.775.549.650.500
Literature References
PMID: 24952746
Definition
A carcinoma that originates in the EPITHELIUM of the NASOPHARYNX and includes four subtypes: keratinizing squamous cell, non-keratinizing, basaloid squamous cell, and PAPILLARY ADENOCARCINOMA. It is most prevalent in Southeast Asian populations and is associated with EPSTEIN-BARR VIRUS INFECTIONS. Somatic mutations associated with this cancer have been identified in NPCR, BAP1, UBAP1, ERBB2, ERBB3, MLL2, PIK3CA, KRAS, NRAS, and ARID1A genes.

ADE 110 Dysmyelopoietic Syndrome

UMLS: C3463824 MeSH: D009190
Medical Classification
C15.378.190.625
Literature References
PMID: 27992414
Definition
Clonal hematopoietic stem cell disorders characterized by dysplasia in one or more hematopoietic cell lineages. They predominantly affect patients over 60, are considered preleukemic conditions, and have high probability of transformation into ACUTE MYELOID LEUKEMIA.

ADE 111 Cardiomyopathy, Hypertrophic Obstructive

UMLS: C4551472 MeSH: D002312 Severity: Severe
Medical Classification
C14.280.238.100 C14.280.484.150.070.160
Literature References
PMID: 22000973

ADE 112 Carcinoma Of Ovary

UMLS: C4721610 MeSH: D000077216
Medical Classification
C04.557.470.200.295 C04.588.322.455.199 C13.351.500.056.630.705.350 C13.351.937.418.685.350 C19.344.410.199 C19.391.630.705.350
Literature References
PMID: 25535366
Definition
A malignant neoplasm that originates in cells on the surface EPITHELIUM of the ovary and is the most common form of ovarian cancer. There are five histologic subtypes: papillary serous, endometrioid, mucinous, clear cell, and transitional cell. Mutations in BRCA1, OPCML, PRKN, PIK3CA, AKT1, CTNNB1, RRAS2, and CDH1 genes are associated with this cancer.

ADE 113 Basal Cell Carcinoma

UMLS: C4721806 MeSH: D002280
Medical Classification
C04.557.470.200.165 C04.557.470.565.165
Literature References
PMID: 11511317 PMID: 21946351 PMID: 26950094
Definition
A malignant skin neoplasm that seldom metastasizes but has potentialities for local invasion and destruction. Clinically it is divided into types: nodular, cicatricial, morphaic, and erythematoid (pagetoid). They develop on hair-bearing skin, most commonly on sun-exposed areas. Approximately 85% are found on the head and neck area and the remaining 15% on the trunk and limbs. (From DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1471)

Drug Type Distribution (Pie Chart)

Drug Type Distribution (Bar Chart)

Showing 1-5 of 0 drugs

Drug 1 Dianhydrogalactitol

InChIkey: AAFJXZWCNVJTMK-GUCUJZIJSA-N MF: C6H10O4 MW: 146.14 Investigational
LogP
-1.49
HBA
4
HBD
2
TPSA
65.52 Ų
Drug Effect Type
upregulates expression
28216618

Drug 2 Hexachlorophene

InChIkey: ACGUYXCXAPNIKK-UHFFFAOYSA-N MF: C13H6Cl6O2 MW: 406.90 Approved
LogP
6.61
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
D08AE01
Drug Effect Type
modulates activity
35435491

Drug 3 pyrazolanthrone

InChIkey: ACPOUJIDANTYHO-UHFFFAOYSA-N MF: C14H8N2O MW: 220.23 Experimental
LogP
2.67
HBA
2
HBD
1
TPSA
45.75 Ų
Drug Effect Type
modulates reactionupregulates expression
15034932
upregulates expression
16061660
downregulates expression
16450001
reduces reactionenhances activityupregulates expressionenhances phosphorylation
17292493
reduces reactionupregulates expression
20191265
reduces reactionmodulates bindingenhances reactionmodulates cotreatmentenhances phosphorylation
22706169
enhances phosphorylation
25305377
reduces reactionenhances phosphorylation
25939952
reduces reactionupregulates expression
26630137
reduces reactionupregulates expression
31734849
reduces reactionenhances stability
32238696
reduces reactionupregulates expression
36319700

Drug 4 Clodronic acid

InChIkey: ACSIXWWBWUQEHA-UHFFFAOYSA-N MF: CH4Cl2O6P2 MW: 244.89 Approved
LogP
0.43
HBA
6
HBD
4
TPSA
134.68 Ų
ATC Classification
M05BA02
Drug Effect Type
modulates activity
25596134

Drug 5 Ellagic acid

InChIkey: AFSDNFLWKVMVRB-UHFFFAOYSA-N MF: C14H6O8 MW: 302.19 Investigational
LogP
1.31
HBA
8
HBD
4
TPSA
141.34 Ų
Drug Effect Type
reduces reactionenhances reactionenhances phosphorylation
15735102
upregulates expression
23554011

Drug 6 Palbociclib

InChIkey: AHJRHEGDXFFMBM-UHFFFAOYSA-N MF: C24H29N7O2 MW: 447.53 Approved
LogP
3.43
HBA
8
HBD
2
TPSA
105.04 Ų
ATC Classification
L01EF01
Drug Effect Type
reduces response to substance
21278246

Drug 7 norharman

InChIkey: AIFRHYZBTHREPW-UHFFFAOYSA-N MF: C11H8N2 MW: 168.19
LogP
2.72
HBA
1
HBD
1
TPSA
28.68 Ų
Drug Effect Type
modulates activity
35435491

Drug 8 Tanshinone i

InChIkey: AIGAZQPHXLWMOJ-UHFFFAOYSA-N MF: C18H12O3 MW: 276.29 Investigational
LogP
4.10
HBA
3
TPSA
47.28 Ų
Drug Effect Type
upregulates expression
16009009
downregulates expression
19885617
downregulates expression
20369472

Drug 9 O-ethyl o-(4-nitrophenyl) phenylphosphonothioate

InChIkey: AIGRXSNSLVJMEA-UHFFFAOYSA-N MF: C14H14NO4PS MW: 323.30
LogP
4.82
HBA
3
TPSA
106.18 Ų
Drug Effect Type
modulates activity
35435491

Drug 10 Hesperetin

InChIkey: AIONOLUJZLIMTK-AWEZNQCLSA-N MF: C16H14O6 MW: 302.28 Experimental
LogP
2.52
HBA
6
HBD
3
TPSA
96.22 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
15795422
reduces reactionupregulates expression
37487865

Drug 11 Fenretinide

InChIkey: AKJHMTWEGVYYSE-FXILSDISSA-N MF: C26H33NO2 MW: 391.55 Investigational
LogP
6.94
HBA
3
HBD
2
TPSA
49.33 Ų
Drug Effect Type
upregulates expression
16540676
upregulates expression
16570282
upregulates expression
17159502

Drug 12 Noscapine

InChIkey: AKNNEGZIBPJZJG-MSOLQXFVSA-N MF: C22H23NO7 MW: 413.42 Approved
LogP
2.82
HBA
8
TPSA
75.69 Ų
ATC Classification
R05DA07
Drug Effect Type
upregulates expressionenhances reaction
20674069
upregulates expressionenhances phosphorylation
22848370

Drug 13 1-nitropyrene

InChIkey: ALRLPDGCPYIVHP-UHFFFAOYSA-N MF: C16H9NO2 MW: 247.25
LogP
5.02
TPSA
45.82 Ų
Drug Effect Type
upregulates expression
10837373
enhances activitymodulates bindingupregulates expressionenhances response to substancemodulates response to substancereduces response to substance
22044530

Drug 14 Triazophos

InChIkey: AMFGTOFWMRQMEM-UHFFFAOYSA-N MF: C12H16N3O3PS MW: 313.31
LogP
3.59
HBA
7
TPSA
100.30 Ų
Drug Effect Type
modulates activity
35435491

Drug 15 Carmofur

InChIkey: AOCCBINRVIKJHY-UHFFFAOYSA-N MF: C11H16FN3O3 MW: 257.26 Withdrawn
LogP
1.20
HBA
5
HBD
2
TPSA
83.96 Ų
ATC Classification
L01BC04
Drug Effect Type
modulates activity
35435491

Drug 16 Doxorubicin

InChIkey: AOJJSUZBOXZQNB-TZSSRYMLSA-N MF: C27H29NO11 MW: 543.52 Approved
LogP
0.70
HBA
12
HBD
6
TPSA
206.07 Ų
ATC Classification
L01DB01
Drug Effect Type
enhances response to substance
9395239
modulates cotreatmentdownregulates expression
9815696
upregulates expression
10969820
upregulates expressionenhances reaction
11779855
modulates expression
12006519
upregulates expression
12082016
upregulates expression
14665630
enhances response to substance
14704126
modulates reactionupregulates expression
15059885
enhances activity
15141020
enhances phosphorylation
15177039
modulates response to substance
15182437
reduces reactionenhances activityenhances reactionenhances phosphorylation
15489221
upregulates expression
15555623
upregulates expressionenhances response to substance
15601469
upregulates expressionenhances phosphorylation
15671536
reduces reactionupregulates expression
15763944
upregulates expression
15781256
enhances response to substance
15823547
upregulates expression
16108013
upregulates expressionenhances reactionmodulates cotreatment
16168113
enhances response to substance
16211088
upregulates expressionenhances phosphorylation
16432175
upregulates expression
16537896
enhances reactionenhances acetylation
16826403
upregulates expression
16857806
modulates reactionupregulates expression
17079232
reduces reactionupregulates expression
17088865
enhances activitymodulates bindingenhances reaction
17124180
reduces reactionupregulates expression
17285121
upregulates expression
17339365
enhances glutathionylation
17555331
modulates reactionmodulates response to substance
17608641
upregulates expressionenhances phosphorylationenhances acetylation
17634554
upregulates expressionenhances localizationmodulates phosphorylation
17653088
modulates reactionupregulates expression
17682292
modulates expression
17893511
modulates reactionupregulates expressionmodulates response to substance
17912235
modulates reactionupregulates expressionenhances response to substanceenhances reaction
17959036
modulates reactionupregulates expression
18269916
upregulates expressionenhances reaction
18377724
modulates reactionmodulates response to substance
18698031
reduces reactionupregulates expression
19074854
upregulates expressionenhances reactionenhances phosphorylation
19106633
reduces reactionmodulates reactionmodulates bindingupregulates expressionenhances reaction
19351845
modulates reactionmodulates localizationdownregulates expression
19363521
upregulates expression
19560264
reduces reactionenhances activitymodulates bindingupregulates expressionenhances reactionenhances phosphorylation
19714248
reduces reactionenhances response to substance
20155316
enhances phosphorylation
20346999
reduces reactionenhances activityupregulates expressionenhances response to substanceenhances reactionmodulates cotreatmentenhances cleavage
20856197
upregulates expression
20978201
upregulates expression
21356574
upregulates expressionenhances reaction
21624110
enhances activity
22010212
reduces reactionupregulates expression
22927544
modulates cotreatmentmodulates expression
24738333
modulates reactionupregulates expressiondownregulates expression
24816189
reduces reactionenhances reactionreduces activitymodulates response to substanceenhances stability
25124555
reduces reactionmodulates bindingmodulates localizationupregulates expressionenhances reaction
26025680
upregulates expressionmodulates cotreatment
26969377
reduces reactionupregulates expressiondownregulates expressionenhances acetylation
27129209
upregulates expressionenhances phosphorylation
27163855
upregulates expressionenhances reactionmodulates cotreatment
27634759
upregulates expressionenhances reaction
30258081
reduces reactionreduces response to substanceenhances export
31976328
reduces reactionmodulates reactionupregulates expression
34126102
modulates reactionmodulates expression
35218280
modulates activity
35435491
modulates reactionupregulates expressiondownregulates expressionmodulates expressionmodulates response to substance
36634904
modulates cotreatmentdownregulates expressionreduces phosphorylation
37406984
modulates reactionupregulates expressionmodulates response to substance
39427782

Drug 17 Coh

InChIkey: AQTFKGDWFRRIHR-UHFFFAOYSA-L MF: C34H30CoN4O4 MW: 619.58
LogP
0.63
HBA
6
TPSA
130.76 Ų
Drug Effect Type
reduces reactionupregulates expressionreduces activity
18042465
modulates expression
24211270

Drug 18 9,10-Dimethyl-1,2-benzanthracene

InChIkey: ARSRBNBHOADGJU-UHFFFAOYSA-N MF: C20H16 MW: 256.34
LogP
5.76
Drug Effect Type
enhances activity
20655369
reduces reactionupregulates expressionenhances metabolic processing
32553695

Drug 19 Copper sulfate

InChIkey: ARUVKPQLZAKDPS-UHFFFAOYSA-L MF: CuO4S MW: 159.61 Approved
LogP
-0.26
HBA
4
TPSA
88.64 Ų
ATC Classification
V03AB20
Drug Effect Type
upregulates expressionenhances phosphorylation
15001399

Drug 20 2-amino-3-methylimidazo(4,5-f)quinoline

InChIkey: ARZWATDYIYAUTA-UHFFFAOYSA-N MF: C11H10N4 MW: 198.22
LogP
2.28
HBA
4
HBD
1
TPSA
56.73 Ų
Drug Effect Type
upregulates expression
23810796

Drug 21 Phoxim

InChIkey: ATROHALUCMTWTB-WYMLVPIESA-N MF: C12H15N2O3PS MW: 298.30
LogP
3.88
HBA
6
TPSA
105.74 Ų
Drug Effect Type
modulates activity
35435491

Drug 22 Riboflavin

InChIkey: AUNGANRZJHBGPY-SCRDCRAPSA-N MF: C17H20N4O6 MW: 376.36 Approved
LogP
-1.68
HBA
9
HBD
5
TPSA
161.56 Ų
ATC Classification
A11HA04S01XA26
Drug Effect Type
upregulates expression
12654180

Drug 23 Ethacrynic acid

InChIkey: AVOLMBLBETYQHX-UHFFFAOYSA-N MF: C13H12Cl2O4 MW: 303.14 Approved
LogP
3.61
HBA
4
HBD
1
TPSA
63.60 Ų
ATC Classification
C03CC01
Drug Effect Type
modulates localization
25817893

Drug 24 Tebupirimfos

InChIkey: AWYOMXWDGWUJHS-UHFFFAOYSA-N MF: C13H23N2O3PS MW: 318.37
LogP
4.49
HBA
6
TPSA
95.37 Ų
Drug Effect Type
modulates activity
35435491

Drug 25 Tanespimycin

InChIkey: AYUNIORJHRXIBJ-TXHRRWQRSA-N MF: C31H43N3O8 MW: 585.69 Investigational
LogP
3.96
HBA
11
HBD
4
TPSA
166.28 Ų
Drug Effect Type
downregulates expression
10564678

Drug 26 P-benzoquinone

InChIkey: AZQWKYJCGOJGHM-UHFFFAOYSA-N MF: C6H4O2 MW: 108.09
LogP
0.25
HBA
2
TPSA
34.14 Ų
Drug Effect Type
upregulates expression
20499891

Drug 27 Ivermectin b1a

InChIkey: AZSNMRSAGSSBNP-XPNPUAGNSA-N MF: C48H74O14 MW: 875.09
LogP
5.60
HBA
14
HBD
3
TPSA
170.06 Ų
Drug Effect Type
reduces reactionmodulates localization
24658405

Drug 28 Methylparaoxon

InChIkey: BAFQDKPJKOLXFZ-UHFFFAOYSA-N MF: C8H10NO6P MW: 247.14
LogP
2.90
HBA
4
TPSA
100.39 Ų
Drug Effect Type
modulates activity
35435491

Drug 29 Nadide

InChIkey: BAWFJGJZGIEFAR-NNYOXOHSSA-N MF: C21H27N7O14P2 MW: 663.43 Experimental
LogP
-1.30
HBA
20
HBD
7
TPSA
340.71 Ų
Drug Effect Type
downregulates expression
12390773
enhances activitymodulates cotreatmentenhances phosphorylationreduces acetylation
34216621

Drug 30 Aristolochic acid

InChIkey: BBFQZRXNYIEMAW-UHFFFAOYSA-N MF: C17H11NO7 MW: 341.27
LogP
3.86
HBA
5
HBD
1
TPSA
110.81 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
33938965

Drug 31 Formic acid

InChIkey: BDAGIHXWWSANSR-UHFFFAOYSA-N MF: CH2O2 MW: 46.03 Investigational
LogP
0.34
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
reduces reactionupregulates expression
10942736

Drug 32 Cadmium

InChIkey: BDOSMKKIYDKNTQ-UHFFFAOYSA-N MF: Cd MW: 112.41 Experimental
LogP
-0.00
Drug Effect Type
reduces reactionenhances activityupregulates expressionreduces activityreduces folding
10531375
upregulates expression
12189181
upregulates expressionenhances phosphorylationmodulates response to substance
17174997
modulates reactionmodulates activitymodulates expression
21605570
modulates localization
25101185
reduces reactionmodulates reactionupregulates expressiondownregulates expression
28507149
upregulates expression
32976933
downregulates expressionupregulates abundanceenhances ubiquitination
33040242
modulates foldingupregulates abundance
35504338

Drug 33 Nutlin-3

InChIkey: BDUHCSBCVGXTJM-UHFFFAOYSA-N MF: C30H30Cl2N4O4 MW: 581.49
LogP
5.53
HBA
8
HBD
1
TPSA
83.47 Ų
Drug Effect Type
enhances activitymodulates bindingmodulates localizationupregulates expressionenhances reaction
16014563
upregulates expressionenhances phosphorylation
16439677
modulates reactionupregulates expression
16439685
upregulates expression
18092340
upregulates expression
19098008
reduces reactionmodulates cotreatmentdownregulates expression
20530418
enhances activityupregulates expressionenhances reactionenhances localization
21109480
enhances response to substanceenhances stability
21205074
upregulates expression
21212465
reduces reactionenhances activitymodulates bindingupregulates expressionenhances reaction
21509038
upregulates expression
21532991
upregulates expressionenhances reaction
21624110
upregulates expressionenhances response to substancereduces response to substance
22044530
reduces reactionmodulates bindingupregulates expression
22260869
reduces reactionupregulates expression
24726431
reduces reactionupregulates expression
35213076
upregulates expressionmodulates cotreatmentenhances secretion
38460933

Drug 34 2-methyl-4-isothiazolin-3-one

InChIkey: BEGLCMHJXHIJLR-UHFFFAOYSA-N MF: C4H5NOS MW: 115.15 Experimental
LogP
0.45
HBA
3
TPSA
50.24 Ų
Drug Effect Type
upregulates expression
29110394
enhances phosphorylation
31629900

Drug 35 Ethinyl estradiol

InChIkey: BFPYWIDHMRZLRN-SLHNCBLASA-N MF: C20H24O2 MW: 296.40 Approved
LogP
3.61
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
G03AA01G03AA02G03AA03... (+22)
Drug Effect Type
modulates activity
35435491

Drug 36 Eprenetapopt

InChIkey: BGBNULCRKBVAKL-UHFFFAOYSA-N MF: C10H17NO3 MW: 199.25 Investigational
LogP
-0.40
HBA
4
HBD
1
TPSA
49.77 Ų
Drug Effect Type
modulates reactionupregulates expressiondownregulates expressionmodulates expressionmodulates response to substanceenhances cleavage
19946333

Drug 37 Bergapten

InChIkey: BGEBZHIAGXMEMV-UHFFFAOYSA-N MF: C12H8O4 MW: 216.19 Investigational
LogP
2.55
HBA
4
TPSA
52.58 Ų
ATC Classification
D05BA03
Drug Effect Type
upregulates expressionenhances phosphorylation
30576070
modulates activity
35435491

Drug 38 Tert-butylhydroquinone

InChIkey: BGNXCDMCOKJUMV-UHFFFAOYSA-N MF: C10H14O2 MW: 166.22 Experimental
LogP
2.40
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
reduces reactionupregulates expression
35123993

Drug 39 Flavopiridol

InChIkey: BIIVYFLTOXDAOV-YVEFUNNKSA-N MF: C21H20ClNO5 MW: 401.84 Investigational
LogP
3.24
HBA
6
HBD
3
TPSA
94.14 Ų
Drug Effect Type
downregulates expression
9808574
upregulates expression
10537362
upregulates expression
12589031
upregulates expression
15180955
upregulates expressionmodulates cotreatment
15297405

Drug 40 Bis(2-ethylhexyl) phthalate

InChIkey: BJQHLKABXJIVAM-UHFFFAOYSA-N MF: C24H38O4 MW: 390.56
LogP
6.43
HBA
4
TPSA
52.60 Ų
Drug Effect Type
upregulates expression
31163220
reduces reactiondownregulates expression
37734194

Drug 41 Goserelin

InChIkey: BLCLNMBMMGCOAS-URPVMXJPSA-N MF: C59H84N18O14 MW: 1,269.41 Approved
LogP
2.78
HBA
30
HBD
17
TPSA
495.89 Ų
ATC Classification
L02AE03
Drug Effect Type
downregulates expression
16973256

Drug 42 Carfilzomib

InChIkey: BLMPQMFVWMYDKT-NZTKNTHTSA-N MF: C40H57N5O7 MW: 719.91 Approved
LogP
4.09
HBA
12
HBD
4
TPSA
158.47 Ų
ATC Classification
L01XG02
Drug Effect Type
enhances activity
30818834
modulates activity
35435491

Drug 43 N-acetylsphingosine

InChIkey: BLTCBVOJNNKFKC-QUDYQQOWSA-N MF: C20H39NO3 MW: 341.53
LogP
4.49
HBA
4
HBD
3
TPSA
69.56 Ų
Drug Effect Type
reduces reactionupregulates expression
9535218

Drug 44 Artemisinin

InChIkey: BLUAFEHZUWYNDE-NNWCWBAJSA-N MF: C15H22O5 MW: 282.33 Investigational
LogP
2.39
HBA
5
TPSA
53.99 Ų
ATC Classification
P01BE01P01BF07P01BF08
Drug Effect Type
enhances activity
30818834

Drug 45 Rgfp966

InChIkey: BLVQHYHDYFTPDV-VCABWLAWSA-N MF: C21H19FN4O MW: 362.40
LogP
4.62
HBA
5
HBD
2
TPSA
72.94 Ų
Drug Effect Type
enhances reactiondownregulates expression
34665271

Drug 46 Midostaurin

InChIkey: BMGQWWVMWDBQGC-IIFHNQTCSA-N MF: C35H30N4O4 MW: 570.64 Approved
LogP
6.24
HBA
8
HBD
1
TPSA
77.73 Ų
ATC Classification
L01EX10
Drug Effect Type
reduces reactionenhances activitymodulates reactionenhances localizationenhances phosphorylation
15542774

Drug 47 Razoxane

InChIkey: BMKDZUISNHGIBY-UHFFFAOYSA-N MF: C11H16N4O4 MW: 268.27
LogP
-2.17
HBA
8
HBD
2
TPSA
98.82 Ų
Drug Effect Type
modulates activity
35435491

Drug 48 Crufomate

InChIkey: BOFHKBLZOYVHSI-UHFFFAOYSA-N MF: C12H19ClNO3P MW: 291.71
LogP
4.38
HBA
4
HBD
1
TPSA
57.37 Ų
Drug Effect Type
modulates activity
35435491

Drug 49 Andrographolide

InChIkey: BOJKULTULYSRAS-OTESTREVSA-N MF: C20H30O5 MW: 350.45 Investigational
LogP
1.96
HBA
5
HBD
3
TPSA
86.99 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
18619950

Drug 50 Temozolomide

InChIkey: BPEGJWRSRHCHSN-UHFFFAOYSA-N MF: C6H6N6O2 MW: 194.15 Approved
LogP
-1.38
HBA
8
HBD
1
TPSA
108.17 Ų
ATC Classification
L01AX03
Drug Effect Type
upregulates expressionreduces response to substance
16193384
enhances response to substance
16405512
upregulates expressionenhances reaction
17216584
upregulates expressionenhances response to substancemodulates cotreatment
20980775
modulates bindingenhances reaction
29164620

Drug 51 Silver

InChIkey: BQCADISMDOOEFD-UHFFFAOYSA-N MF: Ag MW: 107.87 Approved
LogP
0.00
ATC Classification
D08AL30
Drug Effect Type
modulates reactionupregulates expression
22546375
modulates cotreatmentdownregulates expressionmodulates phosphorylation
27387714

Drug 52 Morphine

InChIkey: BQJCRHHNABKAKU-KBQPJGBKSA-N MF: C17H19NO3 MW: 285.34 Approved
LogP
1.14
HBA
4
HBD
2
TPSA
52.93 Ų
ATC Classification
A07DA52N02AA01N02AA51... (+1)
Drug Effect Type
upregulates expressionenhances phosphorylationenhances stability
12702572
reduces reactionupregulates expression
12927789
reduces reactionenhances activityenhances phosphorylation
19397953

Drug 53 Dinophysistoxin 2

InChIkey: BRFKTXCAUCYQBT-KIXJXINUSA-N MF: C44H68O13 MW: 805.00
LogP
5.21
HBA
13
HBD
5
TPSA
182.83 Ų
Drug Effect Type
modulates localization
21512803

Drug 54 Aspirin

InChIkey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N MF: C9H8O4 MW: 180.16 Approved
LogP
1.31
HBA
4
HBD
1
TPSA
63.60 Ų
ATC Classification
A01AD05B01AC06B01AC56... (+17)
Drug Effect Type
reduces reactionupregulates expression
10942736
upregulates expression
12535653
enhances acetylation
19212664

Drug 55 Roscovitine

InChIkey: BTIHMVBBUGXLCJ-OAHLLOKOSA-N MF: C19H26N6O MW: 354.45 Investigational
LogP
3.35
HBA
7
HBD
3
TPSA
87.89 Ų
Drug Effect Type
upregulates expression
16003486
upregulates expression
16140939
upregulates expression
21217777
upregulates expression
21417417

Drug 56 4-nitrophenol

InChIkey: BTJIUGUIPKRLHP-UHFFFAOYSA-N MF: C6H5NO3 MW: 139.11 Experimental
LogP
1.82
HBA
1
HBD
1
TPSA
66.05 Ų
Drug Effect Type
modulates glucuronidation
11695553

Drug 57 Selenium

InChIkey: BUGBHKTXTAQXES-UHFFFAOYSA-N MF: Se MW: 78.96 Approved
LogP
-0.38
Drug Effect Type
downregulates expression
17523932

Drug 58 Phorate

InChIkey: BULVZWIRKLYCBC-UHFFFAOYSA-N MF: C7H17O2PS3 MW: 260.38
LogP
4.38
HBA
5
TPSA
110.96 Ų
Drug Effect Type
modulates activity
35435491

Drug 59 Sodium selenite

InChIkey: BVTBRVFYZUCAKH-UHFFFAOYSA-L MF: Na2O3Se MW: 172.94
LogP
-0.74
HBA
3
TPSA
63.19 Ų
Drug Effect Type
enhances phosphorylation
15845651
reduces reactionupregulates expression
20390378
reduces reactionenhances activity
21515331
modulates response to substance
22200533

Drug 60 Ici-164384

InChIkey: BVVFOLSZMQVDKV-KXQIQQEYSA-N MF: C34H55NO3 MW: 525.81 Experimental
LogP
7.99
HBA
4
HBD
2
TPSA
60.77 Ų
Drug Effect Type
reduces reactionupregulates expression
31681507

Drug 61 T-2 toxin

InChIkey: BXFOFFBJRFZBQZ-QYWOHJEZSA-N MF: C24H34O9 MW: 466.52
LogP
1.69
HBA
9
HBD
1
TPSA
120.89 Ų
Drug Effect Type
upregulates expression
19524637

Drug 62 Coumaphos

InChIkey: BXNANOICGRISHX-UHFFFAOYSA-N MF: C14H16ClO5PS MW: 362.77 Vet_approved
LogP
5.08
HBA
6
TPSA
99.80 Ų
Drug Effect Type
modulates activity
35435491

Drug 63 GW 4064

InChIkey: BYTNEISLBIENSA-MDZDMXLPSA-N MF: C28H22Cl3NO4 MW: 542.84
LogP
8.87
HBA
5
HBD
1
TPSA
72.56 Ų
Drug Effect Type
downregulates expression
28496032

Drug 64 Vinyl chloride

InChIkey: BZHJMEDXRYGGRV-UHFFFAOYSA-N MF: C2H3Cl MW: 62.50
LogP
1.37
Drug Effect Type
upregulates expression
12670519
upregulates expression
14979067
upregulates expression
16474264

Drug 65 Propetamphos

InChIkey: BZNDWPRGXNILMS-VQHVLOKHSA-N MF: C10H20NO4PS MW: 281.31
LogP
3.38
HBA
6
HBD
1
TPSA
98.69 Ų
Drug Effect Type
modulates activity
35435491

Drug 66 2,4,4'-trichlorobiphenyl

InChIkey: BZTYNSQSZHARAZ-UHFFFAOYSA-N MF: C12H7Cl3 MW: 257.54
LogP
5.31
Drug Effect Type
reduces reactionupregulates expression
19751709
upregulates expressionenhances reactionenhances phosphorylation
20840854

Drug 67 Citrinin

InChIkey: CBGDIJWINPWWJW-IYSWYEEDSA-N MF: C13H14O5 MW: 250.25
LogP
1.72
HBA
5
HBD
2
TPSA
83.83 Ų
Drug Effect Type
upregulates expression
20929984

Drug 68 2,2'-azobis(2-amidinopropane)

InChIkey: CCTFAOUOYLVUFG-UHFFFAOYSA-N MF: C8H18N6 MW: 198.27
LogP
2.47
HBA
6
HBD
4
TPSA
124.46 Ų
Drug Effect Type
reduces reactionenhances reactionenhances phosphorylation
30555576

Drug 69 SB 203580

InChIkey: CDMGBJANTYXAIV-UHFFFAOYSA-N MF: C21H16FN3OS MW: 377.43
LogP
5.55
HBA
3
HBD
1
TPSA
77.85 Ų
Drug Effect Type
reduces reactionupregulates expression
15734884
reduces reactionmodulates localization
17136320
reduces reactionenhances phosphorylation
19020741
reduces reactionmodulates cotreatmentenhances phosphorylation
19082730
reduces reactionupregulates expression
20191265
reduces reactionmodulates cotreatmentenhances phosphorylation
21216935
reduces reactionenhances phosphorylation
31067004
reduces reactionenhances phosphorylation
38431053

Drug 70 linalool

InChIkey: CDOSHBSSFJOMGT-UHFFFAOYSA-N MF: C10H18O MW: 154.25
LogP
2.67
HBA
1
HBD
1
TPSA
20.23 Ų
Drug Effect Type
upregulates expression
19922762

Drug 71 Piceatannol

InChIkey: CDRPUGZCRXZLFL-OWOJBTEDSA-N MF: C14H12O4 MW: 244.24 Experimental
LogP
2.68
HBA
4
HBD
4
TPSA
80.92 Ų
Drug Effect Type
upregulates expression
26341291

Drug 72 Alternariol

InChIkey: CEBXXEKPIIDJHL-UHFFFAOYSA-N MF: C14H10O5 MW: 258.23
LogP
2.37
HBA
5
HBD
3
TPSA
90.90 Ų
Drug Effect Type
upregulates expression
22542754

Drug 73 Ceric oxide

InChIkey: CETPSERCERDGAM-UHFFFAOYSA-N MF: CeO2 MW: 172.11
LogP
-0.24
HBA
2
TPSA
34.14 Ų
Drug Effect Type
enhances phosphorylation
24987704
upregulates expressionmodulates cotreatmentupregulates abundance
36982514

Drug 74 Hy-123630

InChIkey: CEZCCHQBSQPRMU-UHFFFAOYSA-L MF: C18H14N2Na2O8S2 MW: 496.42
LogP
5.25
HBA
10
HBD
1
TPSA
185.34 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
37719200

Drug 75 Plicamycin

InChIkey: CFCUWKMKBJTWLW-BKHRDMLASA-N MF: C52H76O24 MW: 1,085.15 Approved
LogP
-0.25
HBA
24
HBD
11
TPSA
358.20 Ų
ATC Classification
L01DC02
Drug Effect Type
reduces reactionmodulates bindingupregulates expressionenhances phosphorylation
15489892
enhances activity
17124180

Drug 76 Pfl protocol

InChIkey: CFFKNNVOYKYCFO-ZIGBGYJWSA-L MF: C24H30Cl2FN11O9Pt MW: 901.55
LogP
3.17
HBA
15
HBD
11
TPSA
337.60 Ų
Drug Effect Type
enhances response to substance
15611505

Drug 77 Indomethacin

InChIkey: CGIGDMFJXJATDK-UHFFFAOYSA-N MF: C19H16ClNO4 MW: 357.79 Approved
LogP
3.93
HBA
5
HBD
1
TPSA
68.53 Ų
ATC Classification
C01EB03M01AB01M01AB51... (+3)
Drug Effect Type
upregulates expression
10403534
upregulates expression
11260862

Drug 78 Tert-butyl hydroperoxide

InChIkey: CIHOLLKRGTVIJN-UHFFFAOYSA-N MF: C4H10O2 MW: 90.12
LogP
1.27
HBA
2
HBD
1
TPSA
29.46 Ų
Drug Effect Type
reduces reactionupregulates expression
12782109
reduces reactionupregulates expressionenhances glutathionylation
17555331

Drug 79 L-ascorbic acid

InChIkey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N MF: C6H8O6 MW: 176.12 Approved
LogP
-1.41
HBA
6
HBD
4
TPSA
107.22 Ų
ATC Classification
A11GA01A11GB01G01AD03... (+1)
Drug Effect Type
reduces reactionenhances phosphorylation
20067818
reduces reactionmodulates cotreatmentdownregulates expression
20530418
upregulates expressionenhances reaction
21429301
reduces reactionupregulates expression
22245848
reduces reactionupregulates expression
25977998
modulates cotreatmentenhances phosphorylation
29992683
reduces reactionenhances phosphorylation
31388677

Drug 80 Bucladesine

InChIkey: CJGYSWNGNKCJSB-YVLZZHOMSA-N MF: C18H24N5O8P MW: 469.39 Experimental
LogP
1.76
HBA
13
HBD
2
TPSA
173.80 Ų
ATC Classification
C01CE04
Drug Effect Type
upregulates expressionmodulates cotreatment
22534328

Drug 81 Azinphos-methyl

InChIkey: CJJOSEISRRTUQB-UHFFFAOYSA-N MF: C10H12N3O3PS2 MW: 317.32
LogP
2.65
HBA
8
TPSA
133.44 Ų
Drug Effect Type
modulates activity
35435491

Drug 82 Cyclophosphamide

InChIkey: CMSMOCZEIVJLDB-UHFFFAOYSA-N MF: C7H15Cl2N2O2P MW: 261.09 Approved
LogP
2.21
HBA
4
HBD
1
TPSA
51.38 Ų
ATC Classification
L01AA01
Drug Effect Type
modulates response to substance
15182437
enhances activity
20655369
enhances activityenhances response to substanceenhances reaction
22010212

Drug 83 Busulfan

InChIkey: COVZYZSDYWQREU-UHFFFAOYSA-N MF: C6H14O6S2 MW: 246.30 Approved
LogP
1.88
HBA
6
TPSA
103.50 Ų
ATC Classification
L01AB01
Drug Effect Type
modulates activitymodulates phosphorylation
16882877

Drug 84 Ellipticine

InChIkey: CTSPAMFJBXKSOY-UHFFFAOYSA-N MF: C17H14N2 MW: 246.31 Investigational
LogP
4.49
HBA
1
HBD
1
TPSA
28.68 Ų
Drug Effect Type
reduces reactionupregulates expressionenhances response to substanceenhances reaction
29471073

Drug 85 Usnic acid

InChIkey: CUCUKLJLRRAKFN-UHFFFAOYSA-N MF: C18H16O7 MW: 344.32
LogP
1.50
HBA
7
HBD
2
TPSA
117.97 Ų
Drug Effect Type
upregulates expressiondownregulates expression
22285236
reduces reactionupregulates expression
31715134

Drug 86 Pazopanib

InChIkey: CUIHSIWYWATEQL-UHFFFAOYSA-N MF: C21H23N7O2S MW: 437.52 Approved
LogP
4.99
HBA
7
HBD
2
TPSA
127.41 Ų
ATC Classification
L01EX03
Drug Effect Type
modulates reactionupregulates expression
38613465

Drug 87 Eleostearic acid

InChIkey: CUXYLFPMQMFGPL-UHFFFAOYSA-N MF: C18H30O2 MW: 278.43
LogP
5.66
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
upregulates expression
15961301

Drug 88 N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine

InChIkey: CVRXLMUYFMERMJ-UHFFFAOYSA-N MF: C26H28N6 MW: 424.54
LogP
3.97
HBA
6
TPSA
58.04 Ų
Drug Effect Type
upregulates expression
12888634
modulates localization
18778698
reduces reactionmodulates cotreatmentdownregulates expression
18951928

Drug 89 Quizartinib

InChIkey: CVWXJKQAOSCOAB-UHFFFAOYSA-N MF: C29H32N6O4S MW: 560.67 Investigational
LogP
5.94
HBA
11
HBD
2
TPSA
134.40 Ų
ATC Classification
L01EX11
Drug Effect Type
enhances reactiondownregulates expression
34665271

Drug 90 Chrysotile

InChIkey: CWBIFDGMOSWLRQ-UHFFFAOYSA-N MF: H4Mg3O9Si2 MW: 277.11
LogP
-2.65
HBA
9
HBD
3
TPSA
188.05 Ų
Drug Effect Type
reduces reactionupregulates expressionenhances phosphorylation
12676607

Drug 91 Buparlisib

InChIkey: CWHUFRVAEUJCEF-UHFFFAOYSA-N MF: C18H21F3N6O2 MW: 410.39 Investigational
LogP
2.52
HBA
8
HBD
1
TPSA
89.63 Ų
Drug Effect Type
upregulates expressionmodulates cotreatment
38479708

Drug 92 Methylene blue

InChIkey: CXKWCBBOMKCUKX-UHFFFAOYSA-M MF: C16H18ClN3S MW: 319.85 Approved
LogP
-0.50
HBA
3
TPSA
47.38 Ų
ATC Classification
V03AB17V04CG05
Drug Effect Type
modulates activity
35435491

Drug 93 Platycodin d

InChIkey: CYBWUNOAQPMRBA-NDTOZIJESA-N MF: C57H92O28 MW: 1,225.32
LogP
-5.38
HBA
28
HBD
17
TPSA
453.28 Ų
Drug Effect Type
downregulates expression
27432230

Drug 94 Tetrachloroethylene

InChIkey: CYTYCFOTNPOANT-UHFFFAOYSA-N MF: C2Cl4 MW: 165.83
LogP
3.07
Drug Effect Type
upregulates expression
12160929

Drug 95 2-Acetylaminofluorene

InChIkey: CZIHNRWJTSTCEX-UHFFFAOYSA-N MF: C15H13NO MW: 223.27
LogP
3.29
HBA
2
HBD
1
TPSA
29.10 Ų
Drug Effect Type
upregulates expression
12888115

Drug 96 LY294002

InChIkey: CZQHHVNHHHRRDU-UHFFFAOYSA-N MF: C19H17NO3 MW: 307.34 Experimental
LogP
3.36
HBA
4
TPSA
42.68 Ų
Drug Effect Type
upregulates expression
15001399
reduces reactionupregulates expression
15763944
reduces reactionenhances phosphorylation
16024610
reduces reactionenhances phosphorylation
17534123
reduces reactionenhances activityupregulates expressionenhances response to substanceenhances reactionmodulates cotreatmentenhances cleavage
20856197
enhances phosphorylation
25305377
reduces reactiondownregulates expression
26942697
reduces reactionupregulates expressiondownregulates expressionenhances phosphorylationreduces phosphorylation
32687844
reduces reactionupregulates expression
35264022

Drug 97 Withaferin a

InChIkey: DBRXOUCRJQVYJQ-CKNDUULBSA-N MF: C28H38O6 MW: 470.60
LogP
3.35
HBA
6
HBD
2
TPSA
96.36 Ų
Drug Effect Type
reduces reactionenhances activitymodulates bindingmodulates localization
22973447

Drug 98 Diclofenac

InChIkey: DCOPUUMXTXDBNB-UHFFFAOYSA-N MF: C14H11Cl2NO2 MW: 296.15 Approved
LogP
4.44
HBA
2
HBD
2
TPSA
49.33 Ų
ATC Classification
D11AX18M01AB05M01AB55... (+3)
Drug Effect Type
upregulates expression
32087850

Drug 99 2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine

InChIkey: DCVWQAGUQFBCTF-UHFFFAOYSA-N MF: C13H12N4O MW: 240.26
LogP
2.51
HBA
5
HBD
2
TPSA
62.97 Ų
Drug Effect Type
enhances mutagenesis
33189884

Drug 100 Myricitrin

InChIkey: DCYOADKBABEMIQ-OWMUPTOHSA-N MF: C21H20O12 MW: 464.38
LogP
0.19
HBA
12
HBD
8
TPSA
210.51 Ų
Drug Effect Type
reduces reactionupregulates expression
23639522

Drug 101 Sildenafil citrate

InChIkey: DEIYFTQMQPDXOT-UHFFFAOYSA-N MF: C28H38N6O11S MW: 666.70
LogP
1.32
HBA
16
HBD
5
TPSA
253.93 Ų
Drug Effect Type
reduces reactionenhances response to substance
20155316

Drug 102 Diethyl sulfate

InChIkey: DENRZWYUOJLTMF-UHFFFAOYSA-N MF: C4H10O4S MW: 154.18
LogP
1.39
HBA
4
TPSA
60.98 Ų
Drug Effect Type
upregulates expressiondownregulates expression
23830811

Drug 103 Octreotide

InChIkey: DEQANNDTNATYII-OULOTJBUSA-N MF: C49H66N10O10S2 MW: 1,019.24 Approved
LogP
3.02
HBA
21
HBD
13
TPSA
382.82 Ų
ATC Classification
H01CB02
Drug Effect Type
downregulates expression
21764706

Drug 104 Selinexor

InChIkey: DEVSOMFAQLZNKR-RJRFIUFISA-N MF: C17H11F6N7O MW: 443.31 Approved
LogP
3.85
HBA
8
HBD
2
TPSA
97.62 Ų
ATC Classification
L01XX66
Drug Effect Type
upregulates expressionmodulates cotreatment
37899423

Drug 105 Triptolide

InChIkey: DFBIRQPKNDILPW-CIVMWXNOSA-N MF: C20H24O6 MW: 360.40 Investigational
LogP
1.10
HBA
6
HBD
1
TPSA
84.12 Ų
Drug Effect Type
reduces reactionmodulates reactionmodulates bindingmodulates localizationupregulates expressionenhances phosphorylationenhances cleavageenhances acetylation
36990132

Drug 106 Nicotinamide

InChIkey: DFPAKSUCGFBDDF-UHFFFAOYSA-N MF: C6H6N2O MW: 122.12 Approved
LogP
0.88
HBA
3
HBD
1
TPSA
55.98 Ų
ATC Classification
A11HA01
Drug Effect Type
reduces reactionupregulates expressiondownregulates expression
12782109
reduces activityreduces acetylation
18482975
enhances reactionreduces activityenhances acetylation
18681908
upregulates expressionmodulates cotreatmentenhances phosphorylationenhances acetylation
26712469

Drug 107 1,10-phenanthroline

InChIkey: DGEZNRSVGBDHLK-UHFFFAOYSA-N MF: C12H8N2 MW: 180.21 Experimental
LogP
2.78
HBA
2
TPSA
25.78 Ų
Drug Effect Type
modulates activity
35435491

Drug 108 Mono(2-ethylhexyl) phthalate

InChIkey: DJDSLBVSSOQSLW-UHFFFAOYSA-N MF: C16H22O4 MW: 278.34
LogP
3.76
HBA
4
HBD
1
TPSA
63.60 Ų
Drug Effect Type
reduces reactionenhances activity
21515331
upregulates expressionenhances phosphorylationreduces response to substance
24706461
reduces reactionupregulates expression
28988496

Drug 109 Zinc acetate

InChIkey: DJWUNCQRNNEAKC-UHFFFAOYSA-L MF: C4H6O4Zn MW: 183.47 Approved
LogP
-2.49
HBA
4
TPSA
80.26 Ų
ATC Classification
A16AX05C05AX04
Drug Effect Type
reduces reactionmodulates cotreatmentdownregulates expression
20530418

Drug 110 Carmustine

InChIkey: DLGOEMSEDOSKAD-UHFFFAOYSA-N MF: C5H9Cl2N3O2 MW: 214.05 Approved
LogP
1.55
HBA
5
HBD
1
TPSA
61.77 Ų
ATC Classification
L01AD01
Drug Effect Type
modulates response to substance
11861384
upregulates expressionmodulates cotreatment
15735757
upregulates expressionreduces response to substance
16193384
upregulates expression
18632648
upregulates expressionenhances reaction
20472715

Drug 111 4-biphenylamine

InChIkey: DMVOXQPQNTYEKQ-UHFFFAOYSA-N MF: C12H11N MW: 169.22
LogP
3.52
HBA
1
HBD
1
TPSA
26.02 Ų
Drug Effect Type
modulates response to substance
11804609
reduces reactionmodulates reactionupregulates expressiondownregulates expressionmodulates expression
32905825

Drug 112 Dicumarol

InChIkey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N MF: C19H12O6 MW: 336.30 Approved
LogP
2.90
HBA
6
HBD
2
TPSA
100.88 Ų
ATC Classification
B01AA01
Drug Effect Type
reduces reactionmodulates bindingenhances degradation
14634213
reduces reactionupregulates expressionenhances stability
16061648
reduces reactionupregulates expression
17959154
downregulates expression
22692362
reduces reactionupregulates expression
26630137

Drug 113 3-(4-methylphenylsulfonyl)-2-propenenitrile

InChIkey: DOEWDSDBFRHVAP-KRXBUXKQSA-N MF: C10H9NO2S MW: 207.25
LogP
2.89
HBA
3
TPSA
66.31 Ų
Drug Effect Type
modulates bindingenhances reaction
20199942
modulates localizationenhances reactionenhances phosphorylation
20375080
reduces reactionreduces phosphorylation
22706169

Drug 114 Disulfoton

InChIkey: DOFZAZXDOSGAJZ-UHFFFAOYSA-N MF: C8H19O2PS3 MW: 274.40
LogP
4.42
HBA
5
TPSA
110.96 Ų
Drug Effect Type
modulates activity
35435491

Drug 115 Acridine orange

InChIkey: DPKHZNPWBDQZCN-UHFFFAOYSA-N MF: C17H19N3 MW: 265.35
LogP
3.52
HBA
3
TPSA
19.37 Ų
Drug Effect Type
enhances activityenhances stability
16177561

Drug 116 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide

InChIkey: DQEPMTIXHXSFOR-UHFFFAOYSA-N MF: C20H14O3 MW: 302.32
LogP
3.43
HBA
3
HBD
2
TPSA
52.99 Ų
Drug Effect Type
upregulates expressionenhances reactiondownregulates expression
11782367
upregulates expressionenhances phosphorylation
15698582
reduces reactionenhances activityupregulates expressionenhances localizationenhances phosphorylation
18085531
upregulates expressionenhances phosphorylation
20382639
modulates reactionupregulates expressionenhances phosphorylationmodulates response to substanceenhances cleavage
21983885
enhances activitymodulates bindingupregulates expressionenhances reactionenhances phosphorylation
27694624

Drug 117 Melatonin

InChIkey: DRLFMBDRBRZALE-UHFFFAOYSA-N MF: C13H16N2O2 MW: 232.28 Approved
LogP
2.25
HBA
3
HBD
2
TPSA
54.12 Ų
ATC Classification
N05CH01
Drug Effect Type
upregulates expression
12071473
reduces reactionupregulates expressionenhances phosphorylation
24799992
reduces reactionupregulates expression
36633214
reduces reactionupregulates expression
38000455

Drug 118 Drmcatbeksvapl-bntlrkbrsa-n

InChIkey: DRMCATBEKSVAPL-BNTLRKBRSA-N MF: C8H14N2O4Pt MW: 397.29
LogP
1.56
HBA
4
HBD
4
TPSA
98.66 Ų
Drug Effect Type
modulates response to substance
15041737
upregulates expressionenhances response to substanceenhances reaction
16227409
modulates reactionmodulates bindingupregulates expressionenhances reactionreduces activitydownregulates expression
19015155
reduces reactionenhances activityupregulates expressionenhances phosphorylation
19728331
reduces reactionmodulates localizationupregulates expressionreduces phosphorylation
19735649
enhances activityupregulates expressionreduces activityreduces response to substance
20708607

Drug 119 Uridine

InChIkey: DRTQHJPVMGBUCF-XVFCMESISA-N MF: C9H12N2O6 MW: 244.20 Investigational
LogP
-2.85
HBA
7
HBD
4
TPSA
124.78 Ų
Drug Effect Type
reduces reactionupregulates expression
27374097

Drug 120 Meiqx

InChIkey: DVCCCQNKIYNAKB-UHFFFAOYSA-N MF: C11H11N5 MW: 213.24
LogP
1.99
HBA
5
HBD
1
TPSA
69.62 Ų
Drug Effect Type
upregulates expression
23810796

Drug 121 U0126

InChIkey: DVEXZJFMOKTQEZ-JYFOCSDGSA-N MF: C18H16N6S2 MW: 380.49 Investigational
LogP
5.69
HBA
8
HBD
4
TPSA
202.26 Ų
Drug Effect Type
upregulates expressionmodulates cotreatment
22101421
reduces reactionreduces phosphorylation
22706169
reduces reactionmodulates localizationmodulates cotreatmentenhances phosphorylation
25770930
reduces reactionupregulates expression
26056802

Drug 122 8-Bromo Cyclic Adenosine Monophosphate

InChIkey: DVKQVRZMKBDMDH-UUOKFMHZSA-N MF: C10H11BrN5O6P MW: 408.10
LogP
0.53
HBA
11
HBD
3
TPSA
164.65 Ų
Drug Effect Type
upregulates expression
10642304

Drug 123 Dapt

InChIkey: DWJXYEABWRJFSP-XOBRGWDASA-N MF: C23H26F2N2O4 MW: 432.46
LogP
3.99
HBA
6
HBD
2
TPSA
84.50 Ų
Drug Effect Type
reduces reactiondownregulates expression
25005833

Drug 124 Glycitein

InChIkey: DXYUAIFZCFRPTH-UHFFFAOYSA-N MF: C16H12O5 MW: 284.26
LogP
2.88
HBA
5
HBD
2
TPSA
79.90 Ų
Drug Effect Type
upregulates expression
19800779

Drug 125 Gdp366

InChIkey: DZSUJUOJJJCWGG-UHFFFAOYSA-N MF: C20H17N5OS MW: 375.45
LogP
5.62
HBA
7
HBD
3
TPSA
121.17 Ų
Drug Effect Type
upregulates expression
20160501

Drug 126 Fluorometholone

InChIkey: FAOZLTXFLGPHNG-KNAQIMQKSA-N MF: C22H29FO4 MW: 376.46 Approved
LogP
2.92
HBA
4
HBD
2
TPSA
74.60 Ų
ATC Classification
C05AA06D07AB06D07CB03... (+6)
Drug Effect Type
reduces reactionupregulates expression
35264022

Drug 127 Withanone

InChIkey: FAZIYUIDUNHZRG-PCTWTJKKSA-N MF: C28H38O6 MW: 470.60
LogP
3.50
HBA
6
HBD
2
TPSA
96.36 Ų
Drug Effect Type
reduces reactionupregulates expression
21573189
reduces reactionenhances activitymodulates bindingmodulates localization
22155302

Drug 128 Methotrexate

InChIkey: FBOZXECLQNJBKD-ZDUSSCGKSA-N MF: C20H22N8O5 MW: 454.44 Approved
LogP
1.82
HBA
13
HBD
5
TPSA
210.54 Ų
ATC Classification
L01BA01L04AX03
Drug Effect Type
upregulates expressionenhances reaction
17637740
reduces reactionupregulates expressionenhances response to substance
19548002
upregulates expressionenhances reactionenhances phosphorylationenhances stabilityenhances acetylation
21114963
upregulates expressionenhances reaction
21624110
upregulates expressionenhances response to substanceenhances reaction
22010212
reduces reactionupregulates expression
22183962
reduces reactionupregulates expression
24967384

Drug 129 D-mannitol

InChIkey: FBPFZTCFMRRESA-KVTDHHQDSA-N MF: C6H14O6 MW: 182.17 Approved
LogP
-3.59
HBA
6
HBD
6
TPSA
121.38 Ų
ATC Classification
A06AD16B05BC01B05CX04... (+2)
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatment
29803612

Drug 130 2,6-Dichloroindophenol

InChIkey: FBWADIKARMIWNM-UHFFFAOYSA-N MF: C12H7Cl2NO2 MW: 268.10
LogP
3.47
HBA
3
HBD
1
TPSA
49.66 Ų
Drug Effect Type
modulates cotreatmentenhances phosphorylation
21034357

Drug 131 Olaparib

InChIkey: FDLYAMZZIXQODN-UHFFFAOYSA-N MF: C24H23FN4O3 MW: 434.46 Approved
LogP
2.22
HBA
6
HBD
1
TPSA
86.37 Ų
ATC Classification
L01XK01
Drug Effect Type
enhances phosphorylation
25531448
upregulates expressionmodulates cotreatment
26544897

Drug 132 Butyric acid

InChIkey: FERIUCNNQQJTOY-UHFFFAOYSA-N MF: C4H8O2 MW: 88.11 Investigational
LogP
0.87
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
modulates cotreatmentenhances phosphorylation
24480522

Drug 133 L-Homocysteine

InChIkey: FFFHZYDWPBMWHY-VKHMYHEASA-N MF: C4H9NO2S MW: 135.18 Experimental
LogP
0.42
HBA
4
HBD
3
TPSA
102.12 Ų
Drug Effect Type
modulates reactionmodulates expression
29250709

Drug 134 apigenin-6,8-di-C-glycopyranoside

InChIkey: FIAAVMJLAGNUKW-VQVVXJKKSA-N MF: C27H30O15 MW: 594.52
LogP
-2.39
HBA
15
HBD
11
TPSA
271.20 Ų
Drug Effect Type
upregulates expression
21803027

Drug 135 Suramin

InChIkey: FIAFUQMPZJWCLV-UHFFFAOYSA-N MF: C51H40N6O23S6 MW: 1,297.28 Investigational
LogP
13.67
HBA
29
HBD
12
TPSA
534.03 Ų
ATC Classification
P01CX02
Drug Effect Type
reduces activityreduces acetylation
18482975

Drug 136 Artesunate

InChIkey: FIHJKUPKCHIPAT-AHIGJZGOSA-N MF: C19H28O8 MW: 384.42 Approved
LogP
2.60
HBA
8
HBD
1
TPSA
100.52 Ų
ATC Classification
P01BE03P01BF02P01BF03... (+3)
Drug Effect Type
reduces reactionmodulates bindingupregulates expression
33259807

Drug 137 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone

InChIkey: FLAQQSHRLBFIEZ-UHFFFAOYSA-N MF: C10H13N3O2 MW: 207.23
LogP
1.66
HBA
5
TPSA
62.63 Ų
Drug Effect Type
reduces reactiondownregulates expression
18805435
reduces reactionenhances activitymodulates localizationupregulates expression
19931552
modulates localizationenhances phosphorylationenhances adp-ribosylation
20421341
upregulates expression
21776270
upregulates expression
26231820

Drug 138 Cyperquat

InChIkey: FMGYKKMPNATWHP-UHFFFAOYSA-N MF: C12H12N+ MW: 170.23
LogP
2.18
TPSA
3.88 Ų
Drug Effect Type
reduces reactionupregulates expression
28481321

Drug 139 Benzo[a]pyrene

InChIkey: FMMWHPNWAFZXNH-UHFFFAOYSA-N MF: C20H12 MW: 252.31
LogP
5.74
Drug Effect Type
upregulates expression
10837373
upregulates expressionenhances reactiondownregulates expression
11782367
reduces reactionenhances activityupregulates expressiondownregulates abundance
12807757
upregulates expression
15548639
modulates bindingenhances reaction
15625077
upregulates expressionenhances phosphorylation
15698582
upregulates expression
15808406
reduces reactionenhances phosphorylation
15837074
reduces reactionupregulates expression
16041517
reduces reactionupregulates expression
16258175
upregulates expression
18174961
upregulates expression
20064835
modulates activity
20624995
reduces reactionmodulates localizationupregulates expressionenhances reactionenhances phosphorylation
20840854
upregulates expression
20862736
upregulates expressionenhances phosphorylation
21457773
upregulates expression
21714911
upregulates expression
22044530
upregulates expression
22053912
upregulates expressionenhances reaction
22120587
upregulates expression
22227536
modulates reactionupregulates expression
22266578
enhances phosphorylation
24361490
modulates phosphorylation
24362009
reduces reactionenhances activityenhances phosphorylation
24664296
reduces reactionmodulates reactionmodulates localizationupregulates expressionenhances reaction
24954032
modulates reactionmodulates bindingupregulates expressionenhances response to substance
25398514
modulates reactionenhances phosphorylation
25744307
upregulates expressionenhances reaction
26343999
enhances phosphorylation
27694624
modulates reactionupregulates expressionenhances phosphorylationmodulates response to substance
28882572
downregulates expression
29126329
upregulates expression
29218508
reduces reactionupregulates expressionenhances response to substanceenhances reactionmodulates response to substancemodulates chemical synthesis
29471073
upregulates expression
31542801
upregulates expression
32087850
upregulates expressionenhances metabolic processing
32553695
upregulates expression
32717239
reduces reactionupregulates expressionmodulates cotreatmentenhances phosphorylationupregulates abundance
36982514

Drug 140 Sapropterin

InChIkey: FNKQXYHWGSIFBK-RPDRRWSUSA-N MF: C9H15N5O3 MW: 241.25 Approved
LogP
-0.84
HBA
7
HBD
6
TPSA
136.29 Ų
ATC Classification
A16AX07
Drug Effect Type
reduces reactionupregulates expression
22183962

Drug 141 Triamterene

InChIkey: FNYLWPVRPXGIIP-UHFFFAOYSA-N MF: C12H11N7 MW: 253.26 Approved
LogP
2.58
HBA
7
HBD
3
TPSA
129.62 Ų
ATC Classification
C03DB02
Drug Effect Type
modulates activity
35435491

Drug 142 Panobinostat

InChIkey: FPOHNWQLNRZRFC-ZHACJKMWSA-N MF: C21H23N3O2 MW: 349.43 Approved
LogP
4.11
HBA
4
HBD
4
TPSA
77.15 Ų
ATC Classification
L01XH03
Drug Effect Type
modulates cotreatmentenhances acetylation
23681230

Drug 143 Heptachlor

InChIkey: FRCCEHPWNOQAEU-UHFFFAOYSA-N MF: C10H5Cl7 MW: 373.32
LogP
5.24
Drug Effect Type
downregulates expression
9544696

Drug 144 Iron ammonium citrate

InChIkey: FRHBOQMZUOWXQL-UHFFFAOYSA-N MF: C6H11FeNO7+++ MW: 265.00 Approved
LogP
-0.93
HBA
8
HBD
5
TPSA
135.37 Ų
ATC Classification
V08CA07
Drug Effect Type
upregulates expression
38483099

Drug 145 Vinclozolin

InChIkey: FSCWZHGZWWDELK-UHFFFAOYSA-N MF: C12H9Cl2NO3 MW: 286.11
LogP
3.49
HBA
4
TPSA
46.61 Ų
Drug Effect Type
downregulates expression
36498866

Drug 146 Azadirachtin

InChIkey: FTNJWQUOZFUQQJ-NDAWSKJSSA-N MF: C35H44O16 MW: 720.71
LogP
-0.20
HBA
16
HBD
3
TPSA
215.34 Ų
Drug Effect Type
upregulates expression
20429769

Drug 147 Benzo[b]fluoranthene

InChIkey: FTOVXSOBNPWTSH-UHFFFAOYSA-N MF: C20H12 MW: 252.31
LogP
5.64
Drug Effect Type
upregulates expression
21776270
modulates activity
35435491

Drug 148 Naringenin

InChIkey: FTVWIRXFELQLPI-ZDUSSCGKSA-N MF: C15H12O5 MW: 272.25 Experimental
LogP
2.51
HBA
5
HBD
3
TPSA
86.99 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
15795422
upregulates expressionenhances phosphorylation
27838343

Drug 149 Akos024458628

InChIkey: FUTVBRXUIKZACV-UHFFFAOYSA-L MF: C34H32N4O4Zn MW: 626.02 Experimental
LogP
3.30
HBA
6
HBD
2
TPSA
125.10 Ų
Drug Effect Type
reduces reactionupregulates expressionreduces activity
18042465

Drug 150 Selisistat

InChIkey: FUZYTVDVLBBXDL-UHFFFAOYSA-N MF: C13H13ClN2O MW: 248.71 Experimental
LogP
3.43
HBA
2
HBD
2
TPSA
58.88 Ų
Drug Effect Type
reduces reactionenhances acetylation
24726431
enhances acetylation
29545174

Drug 151 Baicalein

InChIkey: FXNFHKRTJBSTCS-UHFFFAOYSA-N MF: C15H10O5 MW: 270.24 Investigational
LogP
2.58
HBA
5
HBD
3
TPSA
90.90 Ų
Drug Effect Type
upregulates expression
21457722
reduces reactionenhances reactionenhances acetylation
37354967
modulates binding
38230788

Drug 152 2-chloroethyl ethyl sulfide

InChIkey: GBNVXYXIRHSYEG-UHFFFAOYSA-N MF: C4H9ClS MW: 124.63
LogP
1.98
HBA
1
TPSA
25.30 Ų
Drug Effect Type
reduces reactionmodulates reactionupregulates expressionenhances phosphorylation
19111594

Drug 153 Mevinphos

InChIkey: GEPDYQSQVLXLEU-AATRIKPKSA-N MF: C7H13O6P MW: 224.15
LogP
1.48
HBA
6
TPSA
80.87 Ų
Drug Effect Type
modulates activity
35435491

Drug 154 3,4,5,4'-tetramethoxystilbene

InChIkey: GGFQQRXTLIJXNY-AATRIKPKSA-N MF: C18H20O4 MW: 300.35
LogP
3.89
HBA
4
TPSA
36.92 Ų
Drug Effect Type
modulates expression
15668717

Drug 155 Fluorouracil (5-FU)

InChIkey: GHASVSINZRGABV-UHFFFAOYSA-N MF: C4H3FN2O2 MW: 130.08 Approved
LogP
-0.80
HBA
2
HBD
2
TPSA
65.72 Ų
ATC Classification
L01BC02L01BC52
Drug Effect Type
upregulates expression
9192825
upregulates expression
12082016
upregulates expression
12792779
modulates reactionupregulates expressionmodulates response to substance
14665630
enhances response to substance
14704126
reduces reactionmodulates reactionupregulates expressiondownregulates expression
15016801
modulates response to substance
15041737
modulates reactionupregulates expression
15152939
modulates reactionupregulates expression
15161716
enhances response to substancemodulates cotreatment
15254702
modulates bindingenhances reactionenhances phosphorylation
15489892
modulates response to substance
15534911
reduces reactionenhances activityupregulates expressionenhances reactiondownregulates expressionenhances cleavage
15546879
modulates response to substance
15608686
reduces reactionreduces degradation
15625077
upregulates expression
15865071
upregulates expressionenhances reaction
15896711
modulates cotreatmentmodulates response to substance
15999354
enhances response to substancemodulates cotreatment
16077963
upregulates expressionenhances reactionmodulates cotreatment
16168113
upregulates expressionenhances reactiondownregulates expression
16557594
upregulates expression
16584549
enhances response to substance
16686938
upregulates expression
16709241
enhances activitymodulates reactionmodulates bindingupregulates expressionenhances reactionenhances phosphorylation
16963839
upregulates expression
17056233
modulates response to substance
17339891
upregulates expressionenhances phosphorylation
17634554
upregulates expressionenhances reaction
17637740
upregulates expressionenhances reaction
17699798
enhances reactionenhances phosphorylation
17971768
reduces reactionmodulates reactionupregulates expressionenhances reactiondownregulates expressionenhances phosphorylationenhances cleavage
17982676
modulates response to substance
18600534
modulates reactionmodulates cotreatmentmodulates response to substance
18698031
enhances activitymodulates reactionupregulates expression
18779317
upregulates expressionenhances reaction
18930000
enhances activityenhances phosphorylation
19010883
upregulates expression
19015155
upregulates expression
19098008
upregulates expressionenhances reaction
19106633
enhances response to substanceenhances stability
21205074
modulates response to substance
22525470
upregulates expressionenhances reaction
22966307
modulates reactionmodulates phosphorylation
23941782
modulates reactionenhances phosphorylation
25744307
upregulates expressionmodulates cotreatment
26544897
reduces reactionmodulates reactionmodulates bindingupregulates expressionenhances reactiondownregulates expressionenhances acetylation
27129209
upregulates expression
29879413
upregulates expression
30177839
modulates activity
35435491

Drug 156 Kolaflavanone

InChIkey: GJWXCPDVDRIBKP-CNTBMXMRSA-N MF: C31H24O12 MW: 588.52
LogP
3.71
HBA
12
HBD
7
TPSA
203.44 Ų
Drug Effect Type
reduces reactiondownregulates expression
21333729

Drug 157 trans-10,cis-12-conjugated linoleic acid

InChIkey: GKJZMAHZJGSBKD-NMMTYZSQSA-N MF: C18H32O2 MW: 280.45 Experimental
LogP
5.88
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
modulates localizationenhances phosphorylation
15992797

Drug 158 Clopidogrel

InChIkey: GKTWGGQPFAXNFI-HNNXBMFYSA-N MF: C16H16ClNO2S MW: 321.82 Approved
LogP
3.61
HBA
4
TPSA
57.78 Ų
ATC Classification
B01AC04
Drug Effect Type
upregulates expression
9447704

Drug 159 Mercaptopurine (6-MP)

InChIkey: GLVAUDGFNGKCSF-UHFFFAOYSA-N MF: C5H4N4S MW: 152.18 Approved
LogP
1.02
HBA
3
HBD
2
TPSA
89.45 Ų
ATC Classification
L01BB02R03DA20
Drug Effect Type
modulates activity
35435491

Drug 160 Calcitriol

InChIkey: GMRQFYUYWCNGIN-NKMMMXOESA-N MF: C27H44O3 MW: 416.64 Approved
LogP
5.70
HBA
3
HBD
3
TPSA
60.69 Ų
ATC Classification
A11CC04D05AX03
Drug Effect Type
upregulates expression
12071473

Drug 161 Alpha-mangostin

InChIkey: GNRIZKKCNOBBMO-UHFFFAOYSA-N MF: C24H26O6 MW: 410.46
LogP
5.09
HBA
6
HBD
3
TPSA
100.13 Ų
Drug Effect Type
upregulates expression
24480042

Drug 162 Ptaquiloside

InChIkey: GPHSJPVUEZFIDE-YVPLJZHISA-N MF: C20H30O8 MW: 398.45
LogP
-0.74
HBA
8
HBD
5
TPSA
136.68 Ų
Drug Effect Type
upregulates expression
22143989

Drug 163 Quinacrine

InChIkey: GPKJTRJOBQGKQK-UHFFFAOYSA-N MF: C23H30ClN3O MW: 399.96 Investigational
LogP
6.05
HBA
4
HBD
1
TPSA
37.39 Ų
ATC Classification
P01AX05
Drug Effect Type
enhances activity
12082016
enhances activityenhances stability
16177561
modulates activity
35435491

Drug 164 Berubicin hcl

InChIkey: GPMIHHFZKBVWAZ-LMMKTYIZSA-N MF: C34H36ClNO11 MW: 670.10
LogP
3.73
HBA
12
HBD
6
TPSA
195.07 Ų
Drug Effect Type
upregulates expression
15555623

Drug 165 Cefotaxime

InChIkey: GPRBEKHLDVQUJE-QSWIMTSFSA-N MF: C16H17N5O7S2 MW: 455.47 Approved
LogP
0.29
HBA
14
HBD
3
TPSA
227.05 Ų
ATC Classification
J01DD01
Drug Effect Type
upregulates expression
15012731

Drug 166 6,7-dihydroxyflavone

InChIkey: GSAOUZGPXSGVRS-UHFFFAOYSA-N MF: C15H10O4 MW: 254.24
LogP
2.87
HBA
4
HBD
2
TPSA
70.67 Ų
Drug Effect Type
enhances degradation
14634213

Drug 167 3-aminobenzamide

InChIkey: GSCPDZHWVNUUFI-UHFFFAOYSA-N MF: C7H8N2O MW: 136.15
LogP
1.65
HBA
3
HBD
2
TPSA
69.11 Ų
Drug Effect Type
reduces reactionenhances activityupregulates expressionenhances phosphorylation
22226932

Drug 168 Tarceva

InChIkey: GTTBEUCJPZQMDZ-UHFFFAOYSA-N MF: C22H24ClN3O4 MW: 429.90
LogP
4.28
HBA
6
HBD
2
TPSA
74.73 Ų
Drug Effect Type
upregulates expressionenhances reaction
25895606

Drug 169 Olomoucine

InChIkey: GTVPOLSIJWJJNY-UHFFFAOYSA-N MF: C15H18N6O MW: 298.34 Experimental
LogP
1.53
HBA
7
HBD
3
TPSA
87.89 Ų
Drug Effect Type
reduces reactionenhances reactionreduces phosphorylation
16628227

Drug 170 Terfenadine

InChIkey: GUGOEEXESWIERI-UHFFFAOYSA-N MF: C32H41NO2 MW: 471.67 Approved
LogP
6.38
HBA
3
HBD
2
TPSA
43.70 Ų
ATC Classification
R06AX12
Drug Effect Type
upregulates expression
12244568

Drug 171 Cobalt

InChIkey: GUTLYIVDDKVIGB-UHFFFAOYSA-N MF: Co MW: 58.93 Approved
LogP
0.00
Drug Effect Type
upregulates expression
21598295
upregulates expressionmodulates cotreatmentenhances stability
23052192
modulates reactionupregulates expressionenhances phosphorylation
24068677

Drug 172 Fluoranthene

InChIkey: GVEPBJHOBDJJJI-UHFFFAOYSA-N MF: C16H10 MW: 202.25
LogP
4.49
Drug Effect Type
upregulates expressionenhances reaction
22120587

Drug 173 Vitamin E supplementation

InChIkey: GVJHHUAWPYXKBD-IEOSBIPESA-N MF: C29H50O2 MW: 430.71 Approved
LogP
8.84
HBA
2
HBD
1
TPSA
29.46 Ų
Drug Effect Type
reduces reactionupregulates expression
12126965
reduces reactionenhances phosphorylation
15837074
reduces reactionenhances activityenhances phosphorylation
24664296
modulates cotreatmentdownregulates expression
30935902

Drug 174 cobaltous chloride

InChIkey: GVPFVAHMJGGAJG-UHFFFAOYSA-L MF: Cl2Co MW: 129.84 Approved
LogP
-5.99
Drug Effect Type
reduces reactionenhances activityupregulates expression
10951577
reduces reactionenhances activityupregulates expressionenhances reactionenhances phosphorylation
19714248
upregulates expression
20974702
enhances activitymodulates localizationupregulates expressionenhances reactionmodulates cotreatmentenhances phosphorylation
21687937
enhances activitymodulates localizationupregulates expressionenhances reactionmodulates cotreatment
23380477
reduces activity
25446071
modulates bindingenhances reactionenhances stability
30381462

Drug 175 Titanium dioxide

InChIkey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N MF: O2Ti MW: 79.87 Approved
LogP
-0.24
HBA
2
TPSA
34.14 Ų
Drug Effect Type
upregulates expression
20362650
modulates bindingupregulates expression
30098274
enhances phosphorylation
30126039

Drug 176 Bortezomib

InChIkey: GXJABQQUPOEUTA-RDJZCZTQSA-N MF: C19H25BN4O4 MW: 384.24 Approved
LogP
1.56
HBA
8
HBD
4
TPSA
124.44 Ų
ATC Classification
L01XG01
Drug Effect Type
reduces reactionenhances activitymodulates reactionmodulates bindingupregulates expressionenhances reactionenhances localizationenhances phosphorylation
12393500
upregulates expression
15173093
enhances stability
15543232
modulates cotreatmentmodulates response to substanceenhances ubiquitination
16373703
upregulates expressionenhances reaction
16617327
upregulates expressionmodulates cotreatment
17351739
upregulates expression
17898295
upregulates expression
18534018
upregulates expression
18790767
upregulates expression
21532991
enhances activity
30818834
modulates activity
35435491
upregulates expression
36401358

Drug 177 Troglitazone

InChIkey: GXPHKUHSUJUWKP-UHFFFAOYSA-N MF: C24H27NO5S MW: 441.54 Approved
LogP
4.70
HBA
7
HBD
2
TPSA
110.16 Ų
ATC Classification
A10BG01
Drug Effect Type
upregulates expression
12595159
upregulates expressionenhances response to substance
12824901
upregulates expressionenhances reaction
16303758
upregulates expression
16374840
upregulates expression
17143939

Drug 178 Methyl isocyanate

InChIkey: HAMGRBXTJNITHG-UHFFFAOYSA-N MF: C2H3NO MW: 57.05 Investigational
LogP
-0.05
HBA
2
TPSA
29.43 Ų
Drug Effect Type
modulates expression
19513903

Drug 179 Mechlorethamine

InChIkey: HAWPXGHAZFHHAD-UHFFFAOYSA-N MF: C5H11Cl2N MW: 156.05 Approved
LogP
1.40
HBA
1
TPSA
3.24 Ų
ATC Classification
L01AA05
Drug Effect Type
upregulates expression
16738803
modulates bindingmodulates localizationupregulates expressionreduces activityenhances phosphorylationenhances stabilityenhances acetylationenhances alkylation
35312310

Drug 180 Benzo[k]fluoranthene

InChIkey: HAXBIWFMXWRORI-UHFFFAOYSA-N MF: C20H12 MW: 252.31
LogP
5.64
Drug Effect Type
modulates activity
35435491

Drug 181 Zidovudine

InChIkey: HBOMLICNUCNMMY-XLPZGREQSA-N MF: C10H13N5O4 MW: 267.24 Approved
LogP
-0.74
HBA
6
HBD
2
TPSA
134.07 Ų
ATC Classification
J05AF01J05AR01J05AR04... (+1)
Drug Effect Type
upregulates expression
16797627

Drug 182 Fludarabine

InChIkey: HBUBKKRHXORPQB-FJFJXFQQSA-N MF: C10H12FN5O4 MW: 285.23 Approved
LogP
-1.26
HBA
9
HBD
4
TPSA
139.54 Ų
ATC Classification
L01BB05
Drug Effect Type
upregulates expressionmodulates cotreatment
9703875
upregulates expressionenhances phosphorylation
16439677
modulates response to substance
17226861
upregulates expression
18092340

Drug 183 Zinc

InChIkey: HCHKCACWOHOZIP-UHFFFAOYSA-N MF: Zn MW: 65.38 Approved
LogP
-0.00
ATC Classification
C05AX04
Drug Effect Type
modulates localization
12107073
upregulates expression
12888634
reduces reactionupregulates expressionenhances response to substanceenhances reactionenhances phosphorylationupregulates abundance
15880691
modulates expression
16636310
modulates folding
16768444
modulates binding
17327663
reduces reactionmodulates binding
36087615

Drug 184 Masoprocol

InChIkey: HCZKYJDFEPMADG-TXEJJXNPSA-N MF: C18H22O4 MW: 302.36 Approved
LogP
3.57
HBA
4
HBD
4
TPSA
80.92 Ų
ATC Classification
L01XX10
Drug Effect Type
modulates reactionupregulates expression
15034932

Drug 185 Fenbendazole

InChIkey: HDDSHPAODJUKPD-UHFFFAOYSA-N MF: C15H13N3O2S MW: 299.35 Vet_approved
LogP
3.97
HBA
5
HBD
2
TPSA
92.31 Ų
ATC Classification
P02CA06
Drug Effect Type
upregulates expression
35569513

Drug 186 Chloroform

InChIkey: HEDRZPFGACZZDS-UHFFFAOYSA-N MF: CHCl3 MW: 119.38 Approved
LogP
1.99
ATC Classification
N01AB02
Drug Effect Type
enhances phosphorylation
8076368

Drug 187 Ibuprofen

InChIkey: HEFNNWSXXWATRW-UHFFFAOYSA-N MF: C13H18O2 MW: 206.28 Approved
LogP
3.07
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
C01EB16G02CC01M01AE01... (+5)
Drug Effect Type
modulates activity
25596134

Drug 188 Benzidine

InChIkey: HFACYLZERDEVSX-UHFFFAOYSA-N MF: C12H12N2 MW: 184.24
LogP
3.68
HBA
2
HBD
2
TPSA
52.04 Ų
Drug Effect Type
upregulates expression
15748509
upregulates expression
17690521

Drug 189 Ruxolitinib

InChIkey: HFNKQEVNSGCOJV-OAHLLOKOSA-N MF: C17H18N6 MW: 306.37 Approved
LogP
3.47
HBA
5
HBD
1
TPSA
83.18 Ų
ATC Classification
L01EJ01
Drug Effect Type
upregulates expressionmodulates cotreatment
30012499

Drug 190 Acrolein

InChIkey: HGINCPLSRVDWNT-UHFFFAOYSA-N MF: C3H4O MW: 56.06
LogP
0.37
HBA
1
TPSA
17.07 Ų
Drug Effect Type
reduces reactionenhances activityreduces activitymodulates metabolic processing
12807757
reduces activity
16753831
modulates reactionmodulates localizationmodulates response to substanceenhances cleavage
29964147
upregulates expression
34958888

Drug 191 Polychlorinated Dibenzodioxins

InChIkey: HGUFODBRKLSHSI-UHFFFAOYSA-N MF: C12H4Cl4O2 MW: 321.97
LogP
6.20
HBA
2
TPSA
18.46 Ų
Drug Effect Type
reduces reactiondownregulates expression
17070097
modulates cotreatmentdownregulates expression
19578757
reduces reactionenhances activityenhances phosphorylationenhances acetylation
20299546
upregulates expressionenhances response to substancemodulates response to substancereduces response to substance
22044530
reduces reactionmodulates reactionmodulates localizationupregulates expressionenhances reaction
24954032

Drug 192 Nilotinib

InChIkey: HHZIURLSWUIHRB-UHFFFAOYSA-N MF: C28H22F3N7O MW: 529.52 Approved
LogP
6.50
HBA
7
HBD
2
TPSA
97.62 Ų
ATC Classification
L01EA03
Drug Effect Type
enhances secretion
29370077

Drug 193 Arecoline

InChIkey: HJJPJSXJAXAIPN-UHFFFAOYSA-N MF: C8H13NO2 MW: 155.19 Experimental
LogP
0.36
HBA
3
TPSA
29.54 Ų
Drug Effect Type
upregulates expression
22108589

Drug 194 Formononetin

InChIkey: HKQYGTCOTHHOMP-UHFFFAOYSA-N MF: C16H12O4 MW: 268.26 Investigational
LogP
3.17
HBA
4
HBD
1
TPSA
59.67 Ų
Drug Effect Type
reduces reactiondownregulates expression
28414026

Drug 195 Staurosporine

InChIkey: HKSZLNNOFSGOKW-FYTWVXJKSA-N MF: C28H26N4O3 MW: 466.53 Experimental
LogP
5.07
HBA
7
HBD
2
TPSA
69.45 Ų
Drug Effect Type
reduces reactionenhances activitymodulates bindingenhances reactionenhances localizationenhances phosphorylation
15542774

Drug 196 Levamisole

InChIkey: HLFSDGLLUJUHTE-SNVBAGLBSA-N MF: C11H12N2S MW: 204.29 Approved
LogP
1.52
HBA
3
TPSA
40.90 Ų
ATC Classification
P02CE01
Drug Effect Type
downregulates expression
11139434

Drug 197 S-ethyl glutathione

InChIkey: HMFDVPSBWOHOAP-YUMQZZPRSA-N MF: C12H21N3O6S MW: 335.38
LogP
0.10
HBA
10
HBD
5
TPSA
184.12 Ų
Drug Effect Type
reduces reactionupregulates expression
17555331

Drug 198 Dimethoxycurcumin

InChIkey: HMJSBVCDPKODEX-NXZHAISVSA-N MF: C23H24O6 MW: 396.43
LogP
3.98
HBA
6
TPSA
71.06 Ų
Drug Effect Type
reduces phosphorylation
31513842

Drug 199 Ifosfamide

InChIkey: HOMGKSMUEGBAAB-UHFFFAOYSA-N MF: C7H15Cl2N2O2P MW: 261.09 Approved
LogP
2.21
HBA
4
HBD
1
TPSA
51.38 Ų
ATC Classification
L01AA06
Drug Effect Type
modulates activity
25596134

Drug 200 Isofenphos

InChIkey: HOQADATXFBOEGG-UHFFFAOYSA-N MF: C15H24NO4PS MW: 345.39
LogP
4.93
HBA
6
HBD
1
TPSA
98.69 Ų
Drug Effect Type
modulates activity
35435491

Drug 201 naphthalenediimide

InChIkey: HPJFXFRNEJHDFR-UHFFFAOYSA-N MF: C22H24N4O4 MW: 408.45
LogP
0.19
HBA
8
TPSA
84.62 Ų
Drug Effect Type
enhances phosphorylation
30840857

Drug 202 Mycophenolic acid

InChIkey: HPNSFSBZBAHARI-RUDMXATFSA-N MF: C17H20O6 MW: 320.34 Approved
LogP
2.73
HBA
6
HBD
2
TPSA
93.06 Ų
ATC Classification
L04AA06
Drug Effect Type
modulates activity
35435491

Drug 203 Tris(2-chloroethyl) phosphate

InChIkey: HQUQLFOMPYWACS-UHFFFAOYSA-N MF: C6H12Cl3O4P MW: 285.49
LogP
2.86
HBA
4
TPSA
54.57 Ų
Drug Effect Type
downregulates expression
28886428

Drug 204 Chlorpyrifos-methyl

InChIkey: HRBKVYFZANMGRE-UHFFFAOYSA-N MF: C7H7Cl3NO3PS MW: 322.53
LogP
4.59
HBA
5
TPSA
82.48 Ų
Drug Effect Type
modulates activity
35435491

Drug 205 Acrylamide

InChIkey: HRPVXLWXLXDGHG-UHFFFAOYSA-N MF: C3H5NO MW: 71.08
LogP
0.36
HBA
2
HBD
1
TPSA
43.09 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
19426797
upregulates expression
20734998

Drug 206 Hymecromone

InChIkey: HSHNITRMYYLLCV-UHFFFAOYSA-N MF: C10H8O3 MW: 176.17 Investigational
LogP
1.81
HBA
3
HBD
1
TPSA
50.44 Ų
ATC Classification
A05AX02
Drug Effect Type
modulates activity
35435491

Drug 207 3,3'-Dichlorobenzidine

InChIkey: HUWXDEQWWKGHRV-UHFFFAOYSA-N MF: C12H10Cl2N2 MW: 253.13
LogP
4.99
HBA
2
HBD
2
TPSA
52.04 Ų
Drug Effect Type
modulates activity
35435491

Drug 208 Flavonols

InChIkey: HVQAJTFOCKOKIN-UHFFFAOYSA-N MF: C15H10O3 MW: 238.24
LogP
3.17
HBA
3
HBD
1
TPSA
50.44 Ų
Drug Effect Type
enhances activity
12082016

Drug 209 Albendazole

InChIkey: HXHWSAZORRCQMX-UHFFFAOYSA-N MF: C12H15N3O2S MW: 265.33 Approved
LogP
3.32
HBA
5
HBD
2
TPSA
92.31 Ų
ATC Classification
P02CA03
Drug Effect Type
modulates activity
35435491

Drug 210 Homoharringtonine

InChIkey: HYFHYPWGAURHIV-JFIAXGOJSA-N MF: C29H39NO9 MW: 545.62 Approved
LogP
2.52
HBA
10
HBD
2
TPSA
123.99 Ų
ATC Classification
L01XX40
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatment
31307525

Drug 211 Nifedipine

InChIkey: HYIMSNHJOBLJNT-UHFFFAOYSA-N MF: C17H18N2O6 MW: 346.33 Approved
LogP
3.03
HBA
5
HBD
1
TPSA
110.45 Ų
ATC Classification
C07FB03C08CA05C08CA55... (+1)
Drug Effect Type
enhances activity
12082016

Drug 212 Diphenoxylate

InChIkey: HYPPXZBJBPSRLK-UHFFFAOYSA-N MF: C30H32N2O2 MW: 452.59 Approved
LogP
5.42
HBA
4
TPSA
53.33 Ų
ATC Classification
A07DA01
Drug Effect Type
modulates activity
35435491

Drug 213 Pyraclostrobin

InChIkey: HZRSNVGNWUDEFX-UHFFFAOYSA-N MF: C19H18ClN3O4 MW: 387.82
LogP
4.24
HBA
7
TPSA
65.82 Ų
Drug Effect Type
enhances activity
30818834
modulates activity
35435491

Drug 214 Colchicine

InChIkey: IAKHMKGGTNLKSZ-INIZCTEOSA-N MF: C22H25NO6 MW: 399.44 Approved
LogP
3.26
HBA
7
HBD
1
TPSA
83.09 Ų
ATC Classification
M04AC01
Drug Effect Type
modulates reactionenhances phosphorylation
12221076

Drug 215 Methoxychlor

InChIkey: IAKOZHOLGAGEJT-UHFFFAOYSA-N MF: C16H15Cl3O2 MW: 345.65
LogP
5.21
HBA
2
TPSA
18.46 Ų
Drug Effect Type
enhances phosphorylation
32466334

Drug 216 Geniposide

InChIkey: IBFYXTRXDNAPMM-BVTMAQQCSA-N MF: C17H24O10 MW: 388.37
LogP
-2.23
HBA
10
HBD
5
TPSA
155.14 Ų
Drug Effect Type
reduces reactionupregulates expression
37940031

Drug 217 2-amino-4,6-dinitrotoluene

InChIkey: IEEJAAUSLQCGJH-UHFFFAOYSA-N MF: C7H7N3O4 MW: 197.15
LogP
3.02
HBA
1
HBD
1
TPSA
117.66 Ų
Drug Effect Type
enhances activityupregulates expression
14577614

Drug 218 Diethyl maleate

InChIkey: IEPRKVQEAMIZSS-WAYWQWQTSA-N MF: C8H12O4 MW: 172.18
LogP
0.67
HBA
4
TPSA
52.60 Ų
Drug Effect Type
modulates reactionupregulates expression
27982581

Drug 219 4-nonylphenol

InChIkey: IGFHQQFPSIBGKE-UHFFFAOYSA-N MF: C15H24O MW: 220.35
LogP
4.69
HBA
1
HBD
1
TPSA
20.23 Ų
Drug Effect Type
enhances phosphorylation
32466334

Drug 220 Bisphenol a

InChIkey: IISBACLAFKSPIT-UHFFFAOYSA-N MF: C15H16O2 MW: 228.29 Experimental
LogP
3.42
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
upregulates expression
21277958
reduces reactiondownregulates expression
23222814
reduces reactionupregulates expression
24831732
upregulates expression
29128613
enhances phosphorylation
29275510
reduces reactionenhances phosphorylation
29383186
reduces reactionupregulates expression
31681507
enhances phosphorylation
32466334
enhances phosphorylation
36232920
reduces reactionupregulates expression
36633214

Drug 221 Rutin

InChIkey: IKGXIBQEEMLURG-NVPNHPEKSA-N MF: C27H30O16 MW: 610.52 Approved
LogP
-1.69
HBA
16
HBD
10
TPSA
269.43 Ų
ATC Classification
C05CA01C05CA51
Drug Effect Type
reduces reactionupregulates expression
29962303

Drug 222 Baicalin

InChIkey: IKIIZLYTISPENI-ZFORQUDYSA-N MF: C21H18O11 MW: 446.36
LogP
0.14
HBA
11
HBD
6
TPSA
187.12 Ų
Drug Effect Type
upregulates expression
21457722

Drug 223 Myricetin

InChIkey: IKMDFBPHZNJCSN-UHFFFAOYSA-N MF: C15H10O8 MW: 318.24 Experimental
LogP
1.69
HBA
8
HBD
6
TPSA
151.59 Ų
Drug Effect Type
upregulates expression
32220605

Drug 224 Esculetin

InChIkey: ILEDWLMCKZNDJK-UHFFFAOYSA-N MF: C9H6O4 MW: 178.14
LogP
1.20
HBA
4
HBD
2
TPSA
70.67 Ų
Drug Effect Type
enhances degradation
14634213
upregulates expression
31313495

Drug 225 Phytic acid

InChIkey: IMQLKJBTEOYOSI-UHFFFAOYSA-N MF: C6H18O24P6 MW: 660.04 Investigational
LogP
-3.13
HBA
24
HBD
12
TPSA
459.42 Ų
Drug Effect Type
reduces reactionupregulates expression
16357363
reduces reactionupregulates expression
38000455

Drug 226 25-hydroxycholesterol

InChIkey: INBGSXNNRGWLJU-ZHHJOTBYSA-N MF: C27H46O2 MW: 402.65 Experimental
LogP
6.50
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
upregulates expression
39197811

Drug 227 Paraquat

InChIkey: INFDPOAKFNIJBF-UHFFFAOYSA-N MF: C12H14N2++ MW: 186.25
LogP
1.00
TPSA
7.76 Ų
Drug Effect Type
upregulates expression
10969820
enhances reactionenhances phosphorylation
11369509
upregulates expression
15162845
upregulates expression
18253895
upregulates expression
28428137

Drug 228 Entinostat

InChIkey: INVTYAOGFAGBOE-UHFFFAOYSA-N MF: C21H20N4O3 MW: 376.41 Investigational
LogP
4.39
HBA
7
HBD
3
TPSA
106.34 Ų
ATC Classification
L01XH05
Drug Effect Type
upregulates expressionenhances reactionenhances acetylation
25699604

Drug 229 Palmitic acid

InChIkey: IPCSVZSSVZVIGE-UHFFFAOYSA-N MF: C16H32O2 MW: 256.42 Approved
LogP
5.55
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentenhances acetylation
24451382

Drug 230 Isocyanate

InChIkey: IQPQWNKOIGAROB-UHFFFAOYSA-N MF: CNO- MW: 42.02
LogP
-0.11
HBA
1
TPSA
17.07 Ų
Drug Effect Type
upregulates expression
19283680

Drug 231 Ligustilide

InChIkey: IQVQXVFMNOFTMU-FLIBITNWSA-N MF: C12H14O2 MW: 190.24
LogP
2.87
HBA
2
TPSA
26.30 Ų
Drug Effect Type
downregulates expressionenhances phosphorylation
31765699

Drug 232 Ganciclovir

InChIkey: IRSCQMHQWWYFCW-UHFFFAOYSA-N MF: C9H13N5O4 MW: 255.23 Approved
LogP
-1.39
HBA
8
HBD
4
TPSA
139.28 Ų
ATC Classification
J05AB06S01AD09
Drug Effect Type
upregulates expression
15592511

Drug 233 Uracil

InChIkey: ISAKRJDGNUQOIC-UHFFFAOYSA-N MF: C4H4N2O2 MW: 112.09 Investigational
LogP
-0.94
HBA
2
HBD
2
TPSA
65.72 Ų
Drug Effect Type
modulates cotreatmentmodulates response to substance
15182437

Drug 234 4-tert-octylphenol

InChIkey: ISAVYTVYFVQUDY-UHFFFAOYSA-N MF: C14H22O MW: 206.32
LogP
4.11
HBA
1
HBD
1
TPSA
20.23 Ų
Drug Effect Type
enhances phosphorylation
32466334

Drug 235 Raltitrexed

InChIkey: IVTVGDXNLFLDRM-HNNXBMFYSA-N MF: C21H22N4O6S MW: 458.49 Approved
LogP
2.37
HBA
10
HBD
4
TPSA
180.93 Ų
ATC Classification
L01BA03
Drug Effect Type
modulates reactionupregulates expression
15161716
reduces reactionenhances phosphorylation
16204068
modulates response to substance
17339891

Drug 236 Indole-3-carbinol

InChIkey: IVYPNXXAYMYVSP-UHFFFAOYSA-N MF: C9H9NO MW: 147.17 Investigational
LogP
1.66
HBA
1
HBD
2
TPSA
36.02 Ų
Drug Effect Type
downregulates expression
29992829
upregulates expressionenhances phosphorylation
34085558

Drug 237 Ribavirin

InChIkey: IWUCXVSUMQZMFG-AFCXAGJDSA-N MF: C8H12N4O5 MW: 244.20 Approved
LogP
-2.31
HBA
9
HBD
4
TPSA
143.72 Ų
ATC Classification
J05AP01
Drug Effect Type
upregulates expression
32112805
modulates activity
35435491

Drug 238 Brassinolide

InChIkey: IXVMHGVQKLDRKH-KNBKMWSGSA-N MF: C28H48O6 MW: 480.68
LogP
3.39
HBA
6
HBD
4
TPSA
107.22 Ų
Drug Effect Type
upregulates expression
20833159

Drug 239 Arg-gly-asp

InChIkey: IYMAXBFPHPZYIK-BQBZGAKWSA-N MF: C12H22N6O6 MW: 346.34
LogP
-0.59
HBA
12
HBD
7
TPSA
223.22 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
16790523

Drug 240 Y-27632

InChIkey: IYOZTVGMEWJPKR-VOMCLLRMSA-N MF: C14H21N3O MW: 247.34 Experimental
LogP
2.95
HBA
4
HBD
2
TPSA
68.01 Ų
Drug Effect Type
upregulates expression
11839765
enhances reactionmodulates response to substancereduces response to substance
20878077

Drug 241 Neocuproine

InChIkey: IYRGXJIJGHOCFS-UHFFFAOYSA-N MF: C14H12N2 MW: 208.26
LogP
3.40
HBA
2
TPSA
25.78 Ų
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatment
29803612

Drug 242 Kaempferol

InChIkey: IYRMWMYZSQPJKC-UHFFFAOYSA-N MF: C15H10O6 MW: 286.24 Experimental
LogP
2.28
HBA
6
HBD
4
TPSA
111.13 Ų
Drug Effect Type
reduces reactionmodulates reactionmodulates bindingupregulates expressionenhances reactionenhances phosphorylationmodulates response to substance
19028473
downregulates expression
37115092

Drug 243 Dipyridamole

InChIkey: IZEKFCXSFNUWAM-UHFFFAOYSA-N MF: C24H40N8O4 MW: 504.63 Approved
LogP
0.11
HBA
12
HBD
4
TPSA
145.44 Ų
ATC Classification
B01AC07
Drug Effect Type
modulates activity
35435491

Drug 244 Phenethyl isothiocyanate (PEITC)

InChIkey: IZJDOKYDEWTZSO-UHFFFAOYSA-N MF: C9H9NS MW: 163.24 Investigational
LogP
2.33
HBA
2
TPSA
44.45 Ų
Drug Effect Type
upregulates expression
16054126

Drug 245 Pentachlorophenol

InChIkey: IZUPBVBPLAPZRR-UHFFFAOYSA-N MF: C6HCl5O MW: 266.34
LogP
4.66
HBA
1
HBD
1
TPSA
20.23 Ų
Drug Effect Type
modulates expression
12724925
modulates activity
35435491

Drug 246 1'-acetoxychavicol acetate

InChIkey: JAMQIUWGGBSIKZ-ZDUSSCGKSA-N MF: C13H14O4 MW: 234.25
LogP
2.40
HBA
4
TPSA
52.60 Ų
Drug Effect Type
modulates cotreatmentenhances phosphorylation
24480522

Drug 247 EPA

InChIkey: JAZBEHYOTPTENJ-JLNKQSITSA-N MF: C20H30O2 MW: 302.45 Approved
LogP
5.99
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
upregulates expressionupregulates abundance
28920465

Drug 248 Conjugated linoleic acid

InChIkey: JBYXPOFIGCOSSB-XBLVEGMJSA-N MF: C18H32O2 MW: 280.45
LogP
5.88
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
modulates localizationenhances phosphorylation
15992797

Drug 249 Chlorambucil

InChIkey: JCKYGMPEJWAADB-UHFFFAOYSA-N MF: C14H19Cl2NO2 MW: 304.21 Approved
LogP
3.38
HBA
3
HBD
1
TPSA
40.54 Ų
ATC Classification
L01AA02
Drug Effect Type
upregulates expression
18092340
modulates activity
35435491

Drug 250 SB 216763

InChIkey: JCSGFHVFHSKIJH-UHFFFAOYSA-N MF: C19H12Cl2N2O2 MW: 371.22
LogP
4.38
HBA
4
HBD
1
TPSA
51.10 Ų
Drug Effect Type
upregulates expression
15958644
upregulates expression
17210701
reduces reactionmodulates localizationupregulates expression
17849503

Drug 251 Benzene

InChIkey: JDBCWSHYEQUBLW-AATRIKPKSA-N MF: C18H20O4 MW: 300.35
LogP
3.89
HBA
4
TPSA
36.92 Ų
Drug Effect Type
reduces reactionupregulates expressionenhances metabolic processing
32553695

Drug 252 Tdzd-8

InChIkey: JDSJDASOXWCHPN-UHFFFAOYSA-N MF: C10H10N2O2S MW: 222.26
LogP
0.66
HBA
5
TPSA
72.24 Ų
Drug Effect Type
enhances phosphorylation
24824809

Drug 253 Schisandrin a

InChIkey: JEJFTTRHGBKKEI-OKILXGFUSA-N MF: C24H32O6 MW: 416.51
LogP
4.78
HBA
6
TPSA
55.38 Ų
Drug Effect Type
modulates reactionupregulates expression
32057180

Drug 254 Bithionol

InChIkey: JFIOVJDNOJYLKP-UHFFFAOYSA-N MF: C12H6Cl4O2S MW: 356.05 Approved
LogP
5.86
HBA
3
HBD
2
TPSA
65.76 Ų
ATC Classification
D10AB01P02BX01
Drug Effect Type
modulates activity
35435491

Drug 255 Didecyldimethylammonium

InChIkey: JGFDZZLUDWMUQH-UHFFFAOYSA-N MF: C22H48N+ MW: 326.62 Approved
LogP
7.34
ATC Classification
D08AJ06
Drug Effect Type
upregulates expression
32763356

Drug 256 Zinc;dichloride

InChIkey: JIAARYAFYJHUJI-UHFFFAOYSA-L MF: Cl2Zn MW: 136.29 Approved
LogP
1.38
ATC Classification
B05XA12C05AX04
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
19714248

Drug 257 Microcystin rr

InChIkey: JIGDOBKZMULDHS-UUHBQKJESA-N MF: C49H75N13O12 MW: 1,038.20
LogP
3.34
HBA
25
HBD
12
TPSA
407.54 Ų
Drug Effect Type
upregulates expression
19111056

Drug 258 Famphur

InChIkey: JISACBWYRJHSMG-UHFFFAOYSA-N MF: C10H16NO5PS2 MW: 325.34 Vet_approved
LogP
3.56
HBA
7
TPSA
115.35 Ų
Drug Effect Type
modulates activity
35435491

Drug 259 Amifostine

InChIkey: JKOQGQFVAUAYPM-UHFFFAOYSA-N MF: C5H15N2O3PS MW: 214.22 Approved
LogP
0.84
HBA
6
HBD
4
TPSA
130.69 Ų
ATC Classification
V03AF05
Drug Effect Type
upregulates expression
12618886
reduces reactionenhances activityenhances reactionreduces phosphorylation
16628227

Drug 260 Lindane

InChIkey: JLYXXMFPNIAWKQ-UHFFFAOYSA-N MF: C6H6Cl6 MW: 290.83 Approved
LogP
3.64
ATC Classification
P03AB02
Drug Effect Type
upregulates expressionmodulates cotreatment
18174961

Drug 261 Syringic acid

InChIkey: JMSVCTWVEWCHDZ-UHFFFAOYSA-N MF: C9H10O5 MW: 198.17
LogP
1.11
HBA
5
HBD
2
TPSA
75.99 Ų
Drug Effect Type
upregulates expression
33548266

Drug 262 Dibenzo[a,l]pyrene

InChIkey: JNTHRSHGARDABO-UHFFFAOYSA-N MF: C24H14 MW: 302.37
LogP
6.89
Drug Effect Type
upregulates expression
15548639
modulates localizationupregulates expressionenhances reaction
24954032
modulates reactionupregulates expressionenhances response to substance
25398514

Drug 263 Chromium(6+)

InChIkey: JOPOVCBBYLSVDA-UHFFFAOYSA-N MF: Cr++++++ MW: 52.00
LogP
0.00
Drug Effect Type
enhances activityenhances response to substance
10574974
upregulates expression
10788560
enhances activityenhances reactionupregulates abundance
14971653
upregulates expressionenhances phosphorylation
15831465
reduces reactionenhances activitymodulates reactionmodulates localizationupregulates expressionenhances response to substancedownregulates expression
16166740
downregulates expression
22666341
reduces reactionenhances activityenhances reactiondownregulates expressionupregulates abundance
22886373
upregulates expression
29069462
reduces reactionupregulates expressionenhances phosphorylationenhances stability
31388677

Drug 264 Cibacron Blue F 3GA

InChIkey: JQYMGXZJTCOARG-UHFFFAOYSA-N MF: C29H20ClN7O11S3 MW: 774.16
LogP
7.90
HBA
15
HBD
7
TPSA
323.17 Ų
Drug Effect Type
enhances degradation
14634213

Drug 265 Rotenone

InChIkey: JUVIOZPCNVVQFO-HBGVWJBISA-N MF: C23H22O6 MW: 394.42 Vet_approved
LogP
3.70
HBA
6
TPSA
63.22 Ų
Drug Effect Type
modulates localizationupregulates expressionenhances phosphorylation
21223980
upregulates expression
23963993
reduces reactionmodulates bindingupregulates expressionenhances reaction
25991017
upregulates expressionenhances reaction
29886133

Drug 266 4-hydroxy-2-nonenal

InChIkey: JVJFIQYAHPMBBX-FNORWQNLSA-N MF: C9H16O2 MW: 156.22
LogP
1.68
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
upregulates expression
15607904

Drug 267 Mitotane

InChIkey: JWBOIMRXGHLCPP-UHFFFAOYSA-N MF: C14H10Cl4 MW: 320.04 Approved
LogP
5.93
ATC Classification
L01XX23
Drug Effect Type
modulates cotreatmentdownregulates expression
9815696

Drug 268 Apicidin

InChIkey: JWOGUUIOCYMBPV-GMFLJSBRSA-N MF: C34H49N5O6 MW: 623.78
LogP
3.99
HBA
11
HBD
3
TPSA
138.84 Ų
Drug Effect Type
downregulates expression
19070610

Drug 269 Methylene dithiocyanate

InChIkey: JWZXKXIUSSIAMR-UHFFFAOYSA-N MF: C3H2N2S2 MW: 130.19
LogP
1.37
HBA
4
TPSA
98.18 Ų
Drug Effect Type
modulates activity
35435491

Drug 270 Vinblastine

InChIkey: JXLYSJRDGCGARV-CFWMRBGOSA-N MF: C46H58N4O9 MW: 810.97 Approved
LogP
3.93
HBA
12
HBD
3
TPSA
154.10 Ų
ATC Classification
L01CA01
Drug Effect Type
modulates reactionenhances phosphorylation
12221076

Drug 271 Malathion

InChIkey: JXSJBGJIGXNWCI-UHFFFAOYSA-N MF: C10H19O6PS2 MW: 330.36 Approved
LogP
2.77
HBA
8
TPSA
138.26 Ų
ATC Classification
P03AX03
Drug Effect Type
reduces reactionupregulates expression
12762645
upregulates expression
19787260

Drug 272 Quinalphos

InChIkey: JYQUHIFYBATCCY-UHFFFAOYSA-N MF: C12H15N2O3PS MW: 298.30
LogP
3.96
HBA
6
TPSA
95.37 Ų
Drug Effect Type
modulates activity
35435491

Drug 273 Pyrrole

InChIkey: KAESVJOAVNADME-UHFFFAOYSA-N MF: C4H5N MW: 67.09
LogP
1.01
HBD
1
TPSA
15.79 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
30543781

Drug 274 Thymoquinone

InChIkey: KEQHJBNSCLWCAE-UHFFFAOYSA-N MF: C10H12O2 MW: 164.20 Investigational
LogP
1.67
HBA
2
TPSA
34.14 Ų
Drug Effect Type
upregulates expression
21609759
reduces reactionupregulates expression
31433961
upregulates expression
34627931

Drug 275 Natriumbichromat

InChIkey: KIEOKOFEPABQKJ-UHFFFAOYSA-N MF: Cr2Na2O7 MW: 261.97
LogP
-0.78
HBA
7
TPSA
123.63 Ų
Drug Effect Type
reduces reactionupregulates expressionenhances reaction
10942736
enhances activityenhances reactionupregulates abundance
14971653
enhances phosphorylation
26091798

Drug 276 Buthionine sulfoximine

InChIkey: KJQFBVYMGADDTQ-UHFFFAOYSA-N MF: C8H18N2O3S MW: 222.31 Investigational
LogP
2.30
HBA
5
HBD
3
TPSA
112.62 Ų
Drug Effect Type
reduces reactionenhances activitydownregulates abundance
12807757

Drug 277 Ruthenium

InChIkey: KJTLSVCANCCWHF-UHFFFAOYSA-N MF: Ru MW: 101.07
LogP
0.00
Drug Effect Type
upregulates expression
17210701
modulates bindingupregulates expression
34896434

Drug 278 Mitoxantrone

InChIkey: KKZJGLLVHKMTCM-UHFFFAOYSA-N MF: C22H28N4O6 MW: 444.48 Approved
LogP
0.79
HBA
10
HBD
8
TPSA
163.18 Ų
ATC Classification
L01DB07
Drug Effect Type
modulates activity
35435491

Drug 279 Thioridazine

InChIkey: KLBQZWRITKRQQV-UHFFFAOYSA-N MF: C21H26N2S2 MW: 370.57 Approved
LogP
5.89
HBA
3
TPSA
57.08 Ų
ATC Classification
N05AC02
Drug Effect Type
modulates activity
35435491

Drug 280 Pirarubicin

InChIkey: KMSKQZKKOZQFFG-YXRRJAAWSA-N MF: C32H37NO12 MW: 627.64 Investigational
LogP
2.25
HBA
13
HBD
5
TPSA
204.30 Ų
ATC Classification
L01DB08
Drug Effect Type
modulates activity
35435491

Drug 281 Potassium dichromate

InChIkey: KMUONIBRACKNSN-UHFFFAOYSA-N MF: Cr2K2O7 MW: 294.18
LogP
-0.78
HBA
7
TPSA
123.63 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
20493934
modulates activity
35435491

Drug 282 Celastrol

InChIkey: KQJSQWZMSAGSHN-JJWQIEBTSA-N MF: C29H38O4 MW: 450.61
LogP
6.70
HBA
4
HBD
2
TPSA
74.60 Ų
Drug Effect Type
reduces reactionupregulates expression
27374097

Drug 283 Juglone

InChIkey: KQPYUDDGWXQXHS-UHFFFAOYSA-N MF: C10H6O3 MW: 174.15
LogP
1.33
HBA
3
HBD
1
TPSA
54.37 Ų
Drug Effect Type
modulates cotreatmentenhances phosphorylation
29992683

Drug 284 O6-benzylguanine

InChIkey: KRWMERLEINMZFT-UHFFFAOYSA-N MF: C12H11N5O MW: 241.25 Investigational
LogP
2.10
HBA
5
HBD
2
TPSA
89.71 Ų
Drug Effect Type
upregulates expressionmodulates cotreatment
15735757
upregulates expressionenhances response to substancemodulates cotreatment
20980775

Drug 285 Ns-398

InChIkey: KTDZCOWXCWUPEO-UHFFFAOYSA-N MF: C13H18N2O5S MW: 314.36 Experimental
LogP
4.35
HBA
4
HBD
1
TPSA
109.60 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
16928824
reduces reactionenhances activityreduces activity
18446786
reduces reactionreduces activityenhances phosphorylation
23495037
reduces reactionenhances phosphorylation
29242151

Drug 286 Parthenolide

InChIkey: KTEXNACQROZXEV-PVLRGYAZSA-N MF: C15H20O3 MW: 248.32
LogP
2.76
HBA
3
TPSA
38.83 Ų
Drug Effect Type
upregulates expression
16024633

Drug 287 Fonofos

InChIkey: KVGLBTYUCJYMND-UHFFFAOYSA-N MF: C10H15OPS2 MW: 246.33
LogP
4.80
HBA
3
TPSA
76.43 Ų
Drug Effect Type
modulates activity
35435491

Drug 288 Ginsenoside rk1

InChIkey: KWDWBAISZWOAHD-MHOSXIPRSA-N MF: C42H70O12 MW: 767.00
LogP
2.95
HBA
12
HBD
8
TPSA
198.76 Ų
Drug Effect Type
upregulates expression
30797898

Drug 289 Lithium chloride

InChIkey: KWGKDLIKAYFUFQ-UHFFFAOYSA-M MF: ClLi MW: 42.39 Experimental
LogP
-3.00
Drug Effect Type
upregulates expression
17210701

Drug 290 Trimethylstannanylium;chloride

InChIkey: KWTSZCJMWHGPOS-UHFFFAOYSA-M MF: C3H9ClSn MW: 199.26
LogP
2.06
Drug Effect Type
upregulates expressionenhances reaction
19655806

Drug 291 Carbamate

InChIkey: KXDHJXZQYSOELW-UHFFFAOYSA-M MF: CH2NO2- MW: 60.03
LogP
-1.01
HBA
3
HBD
1
TPSA
66.15 Ų
Drug Effect Type
enhances activityenhances reactionenhances phosphorylation
19376255

Drug 292 Nocodazole

InChIkey: KYRVNWMVYQXFEU-UHFFFAOYSA-N MF: C14H11N3O3S MW: 301.32 Experimental
LogP
3.11
HBA
6
HBD
2
TPSA
112.32 Ų
Drug Effect Type
modulates reactionenhances phosphorylation
12221076
upregulates expression
21559451
upregulates expression
28412508

Drug 293 Saikosaponin d

InChIkey: KYWSCMDFVARMPN-LCSVLAELSA-N MF: C42H68O13 MW: 780.98
LogP
1.78
HBA
13
HBD
8
TPSA
207.99 Ų
Drug Effect Type
downregulates expression
37209937

Drug 294 Chlorine

InChIkey: KZBUYRJDOAKODT-UHFFFAOYSA-N MF: Cl2 MW: 70.91 Experimental
LogP
1.38
Drug Effect Type
upregulates expressionenhances reaction
35065218

Drug 295 Apigenin

InChIkey: KZNIFHPLKGYRTM-UHFFFAOYSA-N MF: C15H10O5 MW: 270.24 Experimental
LogP
2.58
HBA
5
HBD
3
TPSA
90.90 Ų
Drug Effect Type
modulates reactionupregulates expression
11790449
upregulates expression
16023288
modulates activity
35435491

Drug 296 2,4,5,2',5'-pentachlorobiphenyl

InChIkey: LAHWLEDBADHJGA-UHFFFAOYSA-N MF: C12H5Cl5 MW: 326.43
LogP
6.62
Drug Effect Type
reduces reactionupregulates expressiondownregulates expression
19751709
modulates localizationupregulates expressionenhances reactionenhances phosphorylation
20840854

Drug 297 3,4,8-trimethylimidazo(4,5-f)quinoxalin-2-amine

InChIkey: LAZSIJHHPMHKQI-UHFFFAOYSA-N MF: C12H13N5 MW: 227.27
LogP
2.30
HBA
5
HBD
1
TPSA
69.62 Ų
Drug Effect Type
upregulates expression
23810796

Drug 298 Parathion

InChIkey: LCCNCVORNKJIRZ-UHFFFAOYSA-N MF: C10H14NO5PS MW: 291.26
LogP
4.44
HBA
4
TPSA
115.41 Ų
Drug Effect Type
reduces reactionupregulates expression
12762645
upregulates expression
17390078
upregulates expressionmodulates cotreatment
17622325
upregulates expression
19787260
modulates activity
35435491

Drug 299 Vanadium

InChIkey: LEONUFNNVUYDNQ-UHFFFAOYSA-N MF: V MW: 50.94 Approved
LogP
0.00
Drug Effect Type
enhances activity
19000753

Drug 300 Chloropicrin

InChIkey: LFHISGNCFUNFFM-UHFFFAOYSA-N MF: CCl3NO2 MW: 164.38
LogP
2.11
TPSA
45.82 Ų
Drug Effect Type
upregulates expression
22516760
upregulates expression
24548678
enhances phosphorylation
31884112

Drug 301 Ethanol

InChIkey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N MF: C2H6O MW: 46.07 Approved
LogP
-0.00
HBA
1
HBD
1
TPSA
20.23 Ų
ATC Classification
D08AX08V03AB16V03AZ01
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatment
29803612

Drug 302 Iodofenphos

InChIkey: LFVLUOAHQIVABZ-UHFFFAOYSA-N MF: C8H8Cl2IO3PS MW: 413.00
LogP
5.14
HBA
4
TPSA
69.59 Ų
Drug Effect Type
modulates activity
35435491

Drug 303 Sulindac sulfide

InChIkey: LFWHFZJPXXOYNR-MFOYZWKCSA-N MF: C20H17FO2S MW: 340.41
LogP
5.35
HBA
3
HBD
1
TPSA
62.60 Ų
Drug Effect Type
downregulates expression
9192825

Drug 304 Nickel sulfate

InChIkey: LGQLOGILCSXPEA-UHFFFAOYSA-L MF: NiO4S MW: 154.76 Approved
LogP
-0.26
HBA
4
TPSA
88.64 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
20493934
upregulates expression
21776270
upregulates expression
23568779

Drug 305 Cadmium acetate

InChIkey: LHQLJMJLROMYRN-UHFFFAOYSA-L MF: C4H6CdO4 MW: 230.50
LogP
-2.49
HBA
4
TPSA
80.26 Ų
Drug Effect Type
modulates localizationenhances degradation
15450950
enhances phosphorylation
20839231

Drug 306 Dibenz[a,h]anthracene

InChIkey: LHRCREOYAASXPZ-UHFFFAOYSA-N MF: C22H14 MW: 278.35
LogP
6.30
Drug Effect Type
modulates reactionupregulates expressionenhances response to substance
25398514

Drug 307 Deoxynivalenol

InChIkey: LINOMUASTDIRTM-QGRHZQQGSA-N MF: C15H20O6 MW: 296.32
LogP
-0.84
HBA
6
HBD
3
TPSA
99.52 Ų
Drug Effect Type
enhances activity
19664677
downregulates expression
33890134

Drug 308 Aluminum maltolate

InChIkey: LIRCFGBNQPWVRY-UHFFFAOYSA-K MF: C18H15AlO9 MW: 402.29
LogP
3.28
HBA
9
TPSA
159.81 Ų
Drug Effect Type
downregulates expression
24878590
reduces reactionmodulates reactionupregulates expression
27113042

Drug 309 Bicalutamide

InChIkey: LKJPYSCBVHEWIU-UHFFFAOYSA-N MF: C18H14F4N2O4S MW: 430.37 Approved
LogP
4.03
HBA
6
HBD
2
TPSA
115.64 Ų
ATC Classification
L02AE51L02BB03
Drug Effect Type
upregulates expression
15638997
reduces reactionenhances phosphorylation
29383186

Drug 310 Oroxylin a

InChIkey: LKOJGSWUMISDOF-UHFFFAOYSA-N MF: C16H12O5 MW: 284.26
LogP
2.88
HBA
5
HBD
2
TPSA
79.90 Ų
Drug Effect Type
reduces reactionupregulates expression
23470866

Drug 311 Diethyldithiocarbamic acid

InChIkey: LMBWSYZSUOEYSN-UHFFFAOYSA-N MF: C5H11NS2 MW: 149.28 Experimental
LogP
1.54
HBA
3
HBD
1
TPSA
74.13 Ų
Drug Effect Type
reduces reactionenhances activityupregulates expression
10951577
upregulates expression
11964141

Drug 312 Azathioprine

InChIkey: LMEKQMALGUDUQG-UHFFFAOYSA-N MF: C9H7N7O2S MW: 277.26 Approved
LogP
1.67
HBA
6
HBD
1
TPSA
143.40 Ų
ATC Classification
L04AX01
Drug Effect Type
upregulates expression
14961032

Drug 313 Phosmet

InChIkey: LMNZTLDVJIUSHT-UHFFFAOYSA-N MF: C11H12NO4PS2 MW: 317.32 Vet_approved
LogP
3.08
HBA
7
TPSA
123.04 Ų
Drug Effect Type
modulates activity
35435491

Drug 314 Gallic acid

InChIkey: LNTHITQWFMADLM-UHFFFAOYSA-N MF: C7H6O5 MW: 170.12
LogP
0.50
HBA
5
HBD
4
TPSA
97.99 Ų
Drug Effect Type
upregulates expressionmodulates cotreatment
33002289

Drug 315 Ouabain

InChIkey: LPMXVESGRSUGHW-HBYQJFLCSA-N MF: C29H44O12 MW: 584.65 Approved
LogP
-1.52
HBA
12
HBD
8
TPSA
206.60 Ų
ATC Classification
C01AC01
Drug Effect Type
downregulates expressionenhances phosphorylation
31436044

Drug 316 Lsecoajfckfqjg-uhfffaoysa-n

InChIkey: LSECOAJFCKFQJG-UHFFFAOYSA-N MF: C25H29Cl2F3N2O4S MW: 581.48
LogP
6.92
HBA
7
HBD
2
TPSA
90.10 Ų
Drug Effect Type
modulates expression
35331739

Drug 317 Resveratrol

InChIkey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N MF: C14H12O3 MW: 228.24 Investigational
LogP
2.97
HBA
3
HBD
3
TPSA
60.69 Ų
Drug Effect Type
modulates expression
11522280
reduces reactionupregulates expressionenhances response to substanceenhances reactionenhances phosphorylation
11889192
modulates bindingupregulates expressionenhances reaction
11895857
reduces reactionenhances activityupregulates expressionenhances reactionenhances phosphorylation
12131363
reduces reactionenhances activitymodulates reactionmodulates bindingmodulates localizationenhances reactionenhances localizationenhances phosphorylation
15542774
upregulates expression
15993843
upregulates expression
16091005
enhances response to substanceenhances reactionenhances cleavage
16518869
upregulates expression
16759640
reduces reactionmodulates bindingenhances reactionenhances phosphorylation
16790523
reduces reactionenhances phosphorylation
16814113
reduces reactionmodulates bindingenhances reactionenhances phosphorylation
16928824
upregulates expression
17007014
upregulates expression
17050787
upregulates expression
17088997
reduces reactionenhances activityenhances phosphorylation
17534123
enhances activityenhances phosphorylation
17868649
reduces reactionupregulates expression
17959154
upregulates expression
18089832
upregulates expressionenhances phosphorylation
18222423
upregulates expression
18347188
reduces reactionenhances activitymodulates bindingmodulates localizationenhances reactionreduces activityenhances phosphorylation
18446786
reduces reactionenhances activityenhances acetylation
18681908
upregulates expressionenhances phosphorylation
19559722
reduces reactionmodulates bindingenhances reaction
19631782
upregulates expression
19800779
reduces reactionenhances activitymodulates bindingenhances reactiondownregulates expressionenhances acetylation
19810103
upregulates expressionenhances reaction
19846903
reduces reactionenhances reactionenhances acetylation
20068143
enhances activity
20504360
enhances activity
21740780
upregulates expression
22029423
reduces activity
22252971
modulates bindingenhances reaction
23088850
reduces reactionupregulates expressionenhances response to substanceenhances reaction
23152798
enhances activitymodulates bindingenhances reactionreduces acetylation
23217256
reduces reactionenhances acetylation
23257246
enhances reactionenhances phosphorylation
23495037
enhances phosphorylation
23651583
reduces reactionupregulates expression
23859249
reduces reactionupregulates expression
23881456
reduces reactionmodulates localization
24218232
enhances activitymodulates localizationupregulates expressionmodulates cotreatmentmodulates response to substance
24239893
modulates localization
24587049
reduces reactionenhances activityenhances acetylation
24603648
reduces reactionenhances reactionenhances phosphorylation
24933654
upregulates expression
25242450
enhances phosphorylation
25311616
modulates reactionenhances phosphorylationenhances acetylation
25533949
upregulates expression
25776512
upregulates expressionenhances reaction
25895606
reduces activity
25956474
reduces reactionmodulates bindingupregulates expressionenhances reaction
25991017
reduces reactionupregulates expressionmodulates cotreatment
26188290
upregulates expression
26341291
upregulates expression
26911335
upregulates expressionmodulates cotreatment
26969377
upregulates expression
26970359
reduces reactionenhances phosphorylation
29242151
upregulates expression
29274324
enhances activitymodulates cotreatmentenhances phosphorylationreduces acetylation
34216621

Drug 318 Fauldiscipla

InChIkey: LXZZYRPGZAFOLE-UHFFFAOYSA-L MF: Cl2H6N2Pt MW: 300.05 Approved
LogP
2.02
HBA
2
HBD
2
TPSA
6.48 Ų
ATC Classification
L01XA01
Drug Effect Type
upregulates expression
9664115
modulates response to substance
11861384
upregulates expression
12082016
modulates localizationupregulates expression
12807743
enhances activityenhances stability
14562046
enhances response to substancemodulates cotreatment
15254702
reduces phosphorylation
15854392
upregulates expressionreduces response to substance
15990222
modulates cotreatmentmodulates response to substance
15999354
reduces response to substance
16020667
enhances response to substancemodulates cotreatment
16077963
upregulates expressionenhances response to substance
16193384
enhances response to substance
16211088
reduces reactionupregulates expression
16601104
upregulates expression
16797627
upregulates expressionenhances reaction
17216584
modulates reactionenhances degradation
17498666
reduces reactionupregulates expressionenhances glutathionylation
17555331
upregulates expression
19144690
reduces reactionupregulates expressionenhances response to substance
19548002
upregulates expression
20100536
reduces reactionenhances phosphorylation
20145152
upregulates expression
20477830
reduces reactionupregulates expressionenhances response to substance
20623183
upregulates expressionenhances reaction
20674069
enhances reactionreduces response to substance
20878077
upregulates expressionenhances reactionenhances localization
21109480
modulates reactionenhances response to substance
21152876
enhances response to substanceenhances stability
21205074
reduces reactionmodulates localizationupregulates expressionmodulates cotreatmentenhances phosphorylation
21216935
upregulates expression
21274007
enhances reactionenhances phosphorylation
21285353
upregulates expression
21356574
upregulates expressionenhances reaction
21429301
enhances response to substance
21447800
modulates bindingupregulates expressionenhances reaction
21489989
modulates bindingreduces response to substance
21509038
reduces reactionupregulates expressionenhances response to substanceenhances reactionenhances phosphorylationenhances acetylation
21532991
modulates bindingupregulates expressionenhances response to substanceenhances reactionenhances phosphorylation
21552291
upregulates expressionenhances reaction
21624110
reduces reactionupregulates expressionenhances reactiondownregulates expressionenhances phosphorylationreduces response to substancereduces phosphorylationreduces acetylationenhances acetylation
21660965
reduces reactionupregulates expression
21696631
reduces reactionupregulates expression
21742020
enhances phosphorylation
21801448
modulates localizationupregulates expressionenhances reaction
21858171
modulates reactionupregulates expressionenhances response to substancemodulates response to substance
22331493
upregulates expression
23300844
reduces reactionupregulates expressionenhances phosphorylation
24799992
modulates activity
25596134
reduces reactionmodulates localizationupregulates expressionmodulates cotreatmentenhances phosphorylation
25770930
upregulates expression
25776512
upregulates expression
26961604
upregulates expression
27358234
upregulates expressionenhances phosphorylation
28371273
reduces reactionupregulates expression
29471006
upregulates expressionenhances response to substanceenhances reaction
29471073
reduces reactionmodulates reactionupregulates expressionenhances reactionmodulates cotreatment
29690507
reduces reactionmodulates cotreatmentenhances phosphorylation
29944906
reduces reactionupregulates expression
29962303
reduces reactionmodulates reactionmodulates response to substanceenhances stabilityenhances cleavage
32238696
modulates cotreatmentenhances phosphorylation
33520990
reduces reactionupregulates expression
34126102
reduces reactionupregulates expressionupregulates abundance
34822033

Drug 319 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one

InChIkey: LZMHWZHOZLVYDL-UHFFFAOYSA-N MF: C9H5N3O2 MW: 187.15
LogP
0.84
HBA
5
TPSA
60.40 Ų
Drug Effect Type
upregulates expressionenhances phosphorylationenhances stability
16288207

Drug 320 N-nitroso-n-methylaniline

InChIkey: MAXCWSIJKVASQC-UHFFFAOYSA-N MF: C7H8N2O MW: 136.15
LogP
1.80
HBA
3
TPSA
32.67 Ų
Drug Effect Type
modulates localizationenhances metabolic processing
35882637

Drug 321 Methyl methanesulfonate

InChIkey: MBABOKRGFJTBAE-UHFFFAOYSA-N MF: C2H6O3S MW: 110.13
LogP
0.67
HBA
3
TPSA
51.75 Ų
Drug Effect Type
reduces reactionenhances activityupregulates expression
10531375
modulates reactionupregulates expression
17079232
enhances activity
20655369
enhances activityenhances phosphorylation
25078064
upregulates expression
32087850

Drug 322 Monoxerutin

InChIkey: MBHXKZDTQCSVPM-BDAFLREQSA-N MF: C29H34O17 MW: 654.57 Experimental
LogP
-2.02
HBA
17
HBD
10
TPSA
278.66 Ų
ATC Classification
C05CA02
Drug Effect Type
reduces reactionupregulates expression
17285121

Drug 323 Barban

InChIkey: MCOQHIWZJUDQIC-UHFFFAOYSA-N MF: C11H9Cl2NO2 MW: 258.10
LogP
3.20
HBA
3
HBD
1
TPSA
38.33 Ų
Drug Effect Type
modulates activity
35435491

Drug 324 Dichlorophen

InChIkey: MDNWOSOZYLHTCG-UHFFFAOYSA-N MF: C13H10Cl2O2 MW: 269.12 Vet_approved
LogP
4.00
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
P02DX02
Drug Effect Type
modulates activity
35435491

Drug 325 Propachlor

InChIkey: MFOUDYKPLGXPGO-UHFFFAOYSA-N MF: C11H14ClNO MW: 211.69
LogP
2.67
HBA
2
TPSA
20.31 Ų
Drug Effect Type
modulates activity
35435491

Drug 326 Hycanthone

InChIkey: MFZWMTSUNYWVBU-UHFFFAOYSA-N MF: C20H24N2O2S MW: 356.48 Experimental
LogP
3.73
HBA
5
HBD
2
TPSA
80.81 Ų
Drug Effect Type
modulates activity
35435491

Drug 327 Chembl41873

InChIkey: MGRVRXRGTBOSHW-UHFFFAOYSA-N MF: CH6NO3P MW: 111.04
LogP
-0.22
HBA
4
HBD
3
TPSA
93.36 Ų
Drug Effect Type
upregulates expression
23983455

Drug 328 Hydrogen peroxide (30%)

InChIkey: MHAJPDPJQMAIIY-UHFFFAOYSA-N MF: H2O2 MW: 34.01 Approved
LogP
0.02
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
A01AB02D08AX01D11AX25... (+1)
Drug Effect Type
modulates reactionupregulates expression
8943236
reduces reactionupregulates expression
9535218
upregulates expression
9989825
reduces reactionenhances activityupregulates expression
10531375
upregulates expression
11964141
reduces reactionupregulates expression
15081873
enhances activity
15242773
reduces reactionenhances activityenhances phosphorylation
15795422
enhances response to substance
17301063
enhances glutathionylation
17555331
reduces reactionenhances activityenhances reactionreduces activityenhances acetylation
18681908
upregulates expression
21454520
modulates bindingupregulates expressionenhances reactionreduces response to substance
21552291
reduces reactionupregulates expression
23639522
reduces reactionupregulates expression
23859249
reduces response to substance
24067374
reduces reactionreduces acetylation
24451382
reduces reactionenhances reactionenhances phosphorylation
24933654
reduces reactionupregulates expression
24967384
reduces reactionupregulates expressiondownregulates expression
25005833
reduces reactionmodulates reactionupregulates expression
25108166
upregulates expressionenhances reaction
28526263
upregulates expressionenhances phosphorylation
29110037
upregulates expressionmodulates cotreatmentdownregulates expression
29185360
upregulates expression
29486183
reduces reactionenhances reactionenhances acetylation
30139380
reduces reactionmodulates reactionupregulates expression
32980322
upregulates expression
36796651
reduces reactionupregulates expression
37940031

Drug 329 Menadione

InChIkey: MJVAVZPDRWSRRC-UHFFFAOYSA-N MF: C11H8O2 MW: 172.18 Approved
LogP
2.01
HBA
2
TPSA
34.14 Ų
ATC Classification
B02BA02
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylation
19082730
upregulates expression
21533478
reduces reactionupregulates expression
25005833
modulates activity
35435491

Drug 330 Sorafenib

InChIkey: MLDQJTXFUGDVEO-UHFFFAOYSA-N MF: C21H16ClF3N4O3 MW: 464.82 Approved
LogP
6.09
HBA
7
HBD
3
TPSA
92.35 Ų
ATC Classification
L01EX02
Drug Effect Type
enhances reactionenhances phosphorylation
17991738

Drug 331 Sulindac

InChIkey: MLKXDPUZXIRXEP-MFOYZWKCSA-N MF: C20H17FO3S MW: 356.41 Approved
LogP
5.23
HBA
3
HBD
1
TPSA
73.58 Ų
ATC Classification
M01AB02
Drug Effect Type
upregulates expression
15713900
reduces reactionenhances activitymodulates localizationupregulates abundance
17136320

Drug 332 Tosylphenylalanyl Chloromethyl Ketone

InChIkey: MQUQNUAYKLCRME-INIZCTEOSA-N MF: C17H18ClNO3S MW: 351.85
LogP
4.16
HBA
4
HBD
1
TPSA
71.62 Ų
Drug Effect Type
enhances activityenhances response to substanceenhances reactionreduces phosphorylation
12821135

Drug 333 Tnp-470

InChIkey: MSHZHSPISPJWHW-PVDLLORBSA-N MF: C19H28ClNO6 MW: 401.88 Investigational
LogP
2.95
HBA
7
HBD
1
TPSA
89.69 Ų
Drug Effect Type
upregulates expression
15276080

Drug 334 SRT2183

InChIkey: MUFSINOSQBMSLE-JOCHJYFZSA-N MF: C27H24N4O2S MW: 468.57
LogP
5.05
HBA
7
HBD
2
TPSA
98.11 Ų
Drug Effect Type
modulates cotreatmentenhances acetylation
23681230

Drug 335 Testosterone

InChIkey: MUMGGOZAMZWBJJ-DYKIIFRCSA-N MF: C19H28O2 MW: 288.42 Approved
LogP
3.88
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
G03BA03G03EA02
Drug Effect Type
upregulates expressionmodulates cotreatment
18030663

Drug 336 2,4,5,2',4',5'-hexachlorobiphenyl

InChIkey: MVWHGTYKUMDIHL-UHFFFAOYSA-N MF: C12H4Cl6 MW: 360.88
LogP
7.27
Drug Effect Type
upregulates expressionenhances reactionenhances phosphorylation
20840854
reduces reactionmodulates localizationupregulates expressionenhances reaction
24954032
enhances activity
27589886

Drug 337 Nitric oxide

InChIkey: MWUXSHHQAYIFBG-UHFFFAOYSA-N MF: NO MW: 30.01 Approved
LogP
-0.45
HBA
1
TPSA
17.07 Ų
ATC Classification
R07AX01
Drug Effect Type
upregulates expressionupregulates abundance
10608825
enhances phosphorylation
15177039
upregulates expression
15979383
reduces reactionenhances phosphorylationmodulates response to substance
16024610
enhances glutathionylation
17555331

Drug 338 Atrazine

InChIkey: MXWJVTOOROXGIU-UHFFFAOYSA-N MF: C8H14ClN5 MW: 215.68 Experimental
LogP
1.92
HBA
5
HBD
2
TPSA
62.73 Ų
Drug Effect Type
reduces reactiondownregulates expression
21333729
downregulates expression
34435054

Drug 339 Piperine

InChIkey: MXXWOMGUGJBKIW-YPCIICBESA-N MF: C17H19NO3 MW: 285.34 Investigational
LogP
2.94
HBA
4
TPSA
38.77 Ų
Drug Effect Type
modulates cotreatmentdownregulates expression
30935902

Drug 340 Oxygen

InChIkey: MYMOFIZGZYHOMD-UHFFFAOYSA-N MF: O2 MW: 32.00 Approved
LogP
0.07
HBA
2
TPSA
34.14 Ų
ATC Classification
V03AN01
Drug Effect Type
reduces reactionenhances activityupregulates expression
10951577
modulates cotreatmentdownregulates expression
19578757
reduces reactionenhances phosphorylation
23144690
modulates activity
25596134
reduces reactionmodulates reactionupregulates expressionenhances reactionmodulates cotreatment
29690507
modulates bindingupregulates expressionenhances response to substanceenhances reactionenhances stability
30381462
upregulates expressionmodulates cotreatment
33181113
reduces reactionupregulates expression
34126102
reduces reactionmodulates reactionupregulates expression
35123992

Drug 341 Toosendanin

InChIkey: NAHTXVIXCMUDLF-RFNFAWMESA-N MF: C30H38O11 MW: 574.62
LogP
1.47
HBA
11
HBD
3
TPSA
165.26 Ų
Drug Effect Type
downregulates expression
36781147

Drug 342 Bexarotene

InChIkey: NAVMQTYZDKMPEU-UHFFFAOYSA-N MF: C24H28O2 MW: 348.48 Approved
LogP
6.10
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
L01XF03
Drug Effect Type
enhances activityenhances phosphorylation
19067706

Drug 343 Ritonavir

InChIkey: NCDNCNXCDXHOMX-XGKFQTDJSA-N MF: C37H48N6O5S2 MW: 720.94 Approved
LogP
7.08
HBA
13
HBD
4
TPSA
202.26 Ų
ATC Classification
J05AE03J05AP52J05AP53... (+3)
Drug Effect Type
upregulates expression
19386116
reduces reactionupregulates expression
20884875

Drug 344 Shikonin

InChIkey: NEZONWMXZKDMKF-SNVBAGLBSA-N MF: C16H16O5 MW: 288.30
LogP
2.12
HBA
5
HBD
3
TPSA
94.83 Ų
Drug Effect Type
upregulates expression
28684144

Drug 345 Trichlorfon

InChIkey: NFACJZMKEDPNKN-UHFFFAOYSA-N MF: C4H8Cl3O4P MW: 257.44 Vet_approved
LogP
2.16
HBA
4
HBD
1
TPSA
65.57 Ų
ATC Classification
P02BB01
Drug Effect Type
upregulates expression
19631781

Drug 346 Phenindione

InChIkey: NFBAXHOPROOJAW-UHFFFAOYSA-N MF: C15H10O2 MW: 222.24 Approved
LogP
2.85
HBA
2
TPSA
34.14 Ų
ATC Classification
B01AA02
Drug Effect Type
enhances degradation
14634213

Drug 347 Dienestrol

InChIkey: NFDFQCUYFHCNBW-SCGPFSFSSA-N MF: C18H18O2 MW: 266.33 Approved
LogP
4.60
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
G03CB01G03CC02
Drug Effect Type
modulates activity
35435491

Drug 348 P-coumaric acid

InChIkey: NGSWKAQJJWESNS-ZZXKWVIFSA-N MF: C9H8O3 MW: 164.16 Experimental
LogP
1.49
HBA
3
HBD
2
TPSA
57.53 Ų
Drug Effect Type
upregulates expression
29879413

Drug 349 Unii-in3wh41h3a

InChIkey: NIHSNFSFDGHHRG-SDNWHVSQSA-N MF: C22H26N4O MW: 362.47
LogP
4.25
HBA
5
HBD
1
TPSA
50.28 Ų
Drug Effect Type
enhances activity
15155752
enhances activity
16177561
enhances activityupregulates expression
21109480

Drug 350 Ef-24

InChIkey: NIVYQYSNRUIFIF-KAVGSWPWSA-N MF: C19H15F2NO MW: 311.33
LogP
3.93
HBA
2
HBD
1
TPSA
29.10 Ų
Drug Effect Type
modulates reactionupregulates expressionenhances phosphorylation
17684018

Drug 351 Tamoxifen

InChIkey: NKANXQFJJICGDU-QPLCGJKRSA-N MF: C26H29NO MW: 371.51 Approved
LogP
6.00
HBA
2
TPSA
12.47 Ų
ATC Classification
L02BA01
Drug Effect Type
modulates response to substance
15832264
upregulates expression
16450001
reduces reactionupregulates expressionenhances response to substanceenhances reactiondownregulates expressionreduces phosphorylation
20549698
reduces reactionupregulates expression
31681507

Drug 352 Gingerol

InChIkey: NLDDIKRKFXEWBK-AWEZNQCLSA-N MF: C17H26O4 MW: 294.39
LogP
3.23
HBA
4
HBD
2
TPSA
66.76 Ų
Drug Effect Type
upregulates expressionmodulates cotreatment
18030663
modulates reactionupregulates expressionenhances response to substance
25034532
reduces reactionupregulates expression
28988496

Drug 353 Acrylonitrile

InChIkey: NLHHRLWOUZZQLW-UHFFFAOYSA-N MF: C3H3N MW: 53.06
LogP
0.70
HBA
1
TPSA
23.79 Ų
Drug Effect Type
upregulates expression
33132245

Drug 354 Ammonium chloride

InChIkey: NLXLAEXVIDQMFP-UHFFFAOYSA-N MF: ClH4N MW: 53.49 Approved
LogP
-2.62
HBD
1
ATC Classification
B05XA04G04BA01
Drug Effect Type
modulates reactionmodulates expressionmodulates phosphorylation
29908302

Drug 355 Azacitidine

InChIkey: NMUSYJAQQFHJEW-KVTDHHQDSA-N MF: C8H12N4O5 MW: 244.20 Approved
LogP
-2.59
HBA
9
HBD
4
TPSA
143.72 Ų
ATC Classification
L01BC07
Drug Effect Type
modulates activity
35435491

Drug 356 Methamidophos

InChIkey: NNKVPIKMPCQWCG-UHFFFAOYSA-N MF: C2H8NO2PS MW: 141.13 Investigational
LogP
1.76
HBA
4
HBD
1
TPSA
87.43 Ų
Drug Effect Type
modulates activity
35435491

Drug 357 Aica ribonucleotide

InChIkey: NOTGFIUVDGNKRI-UUOKFMHZSA-N MF: C9H15N4O8P MW: 338.21 Investigational
LogP
-1.43
HBA
12
HBD
6
TPSA
213.19 Ų
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatment
26188290
enhances phosphorylation
33070465

Drug 358 Thiostrepton

InChIkey: NSFFHOGKXHRQEW-AIHSUZKVSA-N MF: C72H85N19O18S5 MW: 1,664.89
LogP
4.09
HBA
42
HBD
17
TPSA
701.00 Ų
Drug Effect Type
downregulates expression
22321511

Drug 359 SC-236

InChIkey: NSQNZEUFHPTJME-UHFFFAOYSA-N MF: C16H11ClF3N3O2S MW: 401.79 Investigational
LogP
5.64
HBA
5
HBD
1
TPSA
86.36 Ų
Drug Effect Type
reduces reactiondownregulates expression
18805435

Drug 360 TDP 665759

InChIkey: NUKCQDDVORQLDB-OLILMLBXSA-N MF: C31H34Cl2IN5O2 MW: 706.44
LogP
6.57
HBA
7
HBD
1
TPSA
73.12 Ų
Drug Effect Type
reduces reactionmodulates bindingenhances stability
16432175

Drug 361 Mitomycin c

InChIkey: NWIBSHFKIJFRCO-WUDYKRTCSA-N MF: C15H18N4O5 MW: 334.33 Approved
LogP
0.02
HBA
9
HBD
3
TPSA
146.89 Ų
ATC Classification
L01DC03
Drug Effect Type
upregulates expression
12082016
modulates response to substance
15182437
upregulates expression
16186332
upregulates expressionenhances reaction
18647660
modulates response to substance
20000476
upregulates expressionenhances stability
20536192
enhances activityupregulates expressionenhances phosphorylation
24675086
enhances activitymodulates reactionupregulates expression
34624459
modulates activity
35435491
modulates localization
35882637

Drug 362 Betaxolol

InChIkey: NWIUTZDMDHAVTP-UHFFFAOYSA-N MF: C18H29NO3 MW: 307.43 Approved
LogP
2.78
HBA
4
HBD
2
TPSA
50.72 Ų
ATC Classification
C07AB05S01ED02S01ED52
Drug Effect Type
upregulates expressionenhances phosphorylation
38325520

Drug 363 Zinc sulfate

InChIkey: NWONKYPBYAMBJT-UHFFFAOYSA-L MF: O4SZn MW: 161.44 Approved
LogP
-0.26
HBA
4
TPSA
88.64 Ų
ATC Classification
A12CB01B05XA18C05AX04
Drug Effect Type
upregulates expressionenhances phosphorylation
15001399
reduces reactionmodulates cotreatmentdownregulates expressionenhances phosphorylation
18951928

Drug 364 4-oxofenretinide

InChIkey: NZVOGZATHCUFRC-KFJFTADJSA-N MF: C26H31NO3 MW: 405.53
LogP
6.11
HBA
4
HBD
2
TPSA
66.40 Ų
Drug Effect Type
upregulates expression
16540676

Drug 365 Floxuridine

InChIkey: ODKNJVUHOIMIIZ-RRKCRQDMSA-N MF: C9H11FN2O5 MW: 246.19 Approved
LogP
-1.68
HBA
6
HBD
3
TPSA
104.55 Ų
ATC Classification
L01BC09
Drug Effect Type
upregulates expression
19015155
modulates activity
35435491

Drug 366 Cordycepin

InChIkey: OFEZSBMBBKLLBJ-BAJZRUMYSA-N MF: C10H13N5O3 MW: 251.24 Investigational
LogP
-0.37
HBA
8
HBD
3
TPSA
119.31 Ų
Drug Effect Type
modulates cotreatmentenhances phosphorylation
33520990

Drug 367 Alpha-phellandrene

InChIkey: OGLDWXZKYODSOB-UHFFFAOYSA-N MF: C10H16 MW: 136.23
LogP
3.16
Drug Effect Type
modulates localization
25649747

Drug 368 Vincristine

InChIkey: OGWKCGZFUXNPDA-XQKSVPLYSA-N MF: C46H56N4O10 MW: 824.96
LogP
4.09
HBA
13
HBD
3
TPSA
171.17 Ų
Drug Effect Type
modulates cotreatmentdownregulates expression
9815696
upregulates expression
12082016
enhances response to substance
14704126
upregulates expression
15131059
enhances glutathionylation
17555331
enhances activity
22010212

Drug 369 Forskolin

InChIkey: OHCQJHSOBUTRHG-KGGHGJDLSA-N MF: C22H34O7 MW: 410.50 Investigational
LogP
1.52
HBA
7
HBD
3
TPSA
113.29 Ų
Drug Effect Type
upregulates expression
10642304

Drug 370 Romidepsin

InChIkey: OHRURASPPZQGQM-GCCNXGTGSA-N MF: C24H36N4O6S2 MW: 540.70 Approved
LogP
2.74
HBA
12
HBD
4
TPSA
193.30 Ų
ATC Classification
L01XH02
Drug Effect Type
enhances reactiondownregulates expression
34665271

Drug 371 Propofol

InChIkey: OLBCVFGFOZPWHH-UHFFFAOYSA-N MF: C12H18O MW: 178.27 Approved
LogP
3.64
HBA
1
HBD
1
TPSA
20.23 Ų
ATC Classification
N01AX10
Drug Effect Type
upregulates expression
28804952

Drug 372 Aflatoxin b1

InChIkey: OQIQSTLJSLGHID-WNWIJWBNSA-N MF: C17H12O6 MW: 312.27
LogP
2.28
HBA
6
TPSA
74.97 Ų
Drug Effect Type
modulates expression
20106945
enhances activityenhances reaction
20655369
modulates reactionupregulates expression
22100608
modulates reactionenhances phosphorylationmodulates response to substance
28882572
upregulates expression
31542801
enhances phosphorylation
32106047
enhances phosphorylation
33984424
upregulates expression
34089297
modulates activity
35435491

Drug 373 Deguelin

InChIkey: ORDAZKGHSNRHTD-UXHICEINSA-N MF: C23H22O6 MW: 394.42
LogP
4.01
HBA
6
TPSA
63.22 Ų
Drug Effect Type
downregulates expression
25242579

Drug 374 Cupric chloride

InChIkey: ORTQZVOHEJQUHG-UHFFFAOYSA-L MF: Cl2Cu MW: 134.45 Approved
LogP
1.38
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatment
29803612

Drug 375 Xanthohumol

InChIkey: ORXQGKIUCDPEAJ-YRNVUSSQSA-N MF: C21H22O5 MW: 354.40 Investigational
LogP
4.22
HBA
5
HBD
3
TPSA
86.99 Ų
Drug Effect Type
upregulates expression
23085367

Drug 376 Chlorpyrifos oxon

InChIkey: OTMOUPHCTWPNSL-UHFFFAOYSA-N MF: C9H11Cl3NO4P MW: 334.52
LogP
4.60
HBA
5
TPSA
67.46 Ų
Drug Effect Type
modulates activity
35435491

Drug 377 Beta-naphthoflavone

InChIkey: OUGIDAPQYNCXRA-UHFFFAOYSA-N MF: C19H12O2 MW: 272.30 Experimental
LogP
4.61
HBA
2
TPSA
30.21 Ų
Drug Effect Type
enhances activitymodulates bindingupregulates expressionreduces response to substance
22044530

Drug 378 teroxirone

InChIkey: OUPZKGBUJRBPGC-HLTSFMKQSA-N MF: C12H15N3O6 MW: 297.26
LogP
-2.63
HBA
9
TPSA
103.59 Ų
Drug Effect Type
upregulates expressionenhances response to substanceenhances cleavage
23954467

Drug 379 Folic acid

InChIkey: OVBPIULPVIDEAO-LBPRGKRZSA-N MF: C19H19N7O6 MW: 441.40 Approved
LogP
1.00
HBA
12
HBD
6
TPSA
213.28 Ų
ATC Classification
B03AE01B03AE02B03BB01... (+2)
Drug Effect Type
modulates expression
16361273
reduces reactionmodulates reactionupregulates expression
26056802
reduces reactionmodulates reactionupregulates expression
27113042
modulates reactionmodulates expression
29250709

Drug 380 Amodiaquine

InChIkey: OVCDSSHSILBFBN-UHFFFAOYSA-N MF: C20H22ClN3O MW: 355.86 Approved
LogP
5.25
HBA
3
HBD
2
TPSA
48.39 Ų
ATC Classification
P01BA06P01BF03
Drug Effect Type
enhances activity
12082016
modulates expression
24113242

Drug 381 Rigosertib

InChIkey: OWBFCJROIKNMGD-BQYQJAHWSA-N MF: C21H25NO8S MW: 451.49 Investigational
LogP
3.96
HBA
9
HBD
2
TPSA
128.77 Ų
Drug Effect Type
modulates response to substance
23873848
upregulates expressionenhances phosphorylation
25472472

Drug 382 Methylarsonous acid

InChIkey: OXBIRPQQKCQWGV-UHFFFAOYSA-N MF: CH5AsO2 MW: 123.97
LogP
-0.91
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
reduces reactionenhances activityupregulates expressionenhances response to substanceenhances localizationenhances phosphorylation
18085531
upregulates expression
19382146

Drug 383 Calcium

InChIkey: OYPRJOBELJOOCE-UHFFFAOYSA-N MF: Ca MW: 40.08 Nutraceutical
LogP
0.00
ATC Classification
A11AA02A11GB01M05BB01... (+4)
Drug Effect Type
modulates localization
15059885
downregulates expression
16043423

Drug 384 Bleomycin

InChIkey: OYVAGSVQBOHSSS-WXFSZRTFSA-O MF: C55H84N17O21S3+ MW: 1,415.55 Approved
LogP
-1.98
HBA
39
HBD
20
TPSA
708.85 Ų
ATC Classification
L01DC01
Drug Effect Type
enhances response to substance
20135637
reduces reactionenhances reactionenhances phosphorylation
24933654

Drug 385 Cgs 21680

InChIkey: PAOANWZGLPPROA-RQXXJAGISA-N MF: C23H29N7O6 MW: 499.52
LogP
0.88
HBA
13
HBD
6
TPSA
197.74 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
30555576

Drug 386 Src kinase inhibitor pp2

InChIkey: PBBRWFOVCUAONR-UHFFFAOYSA-N MF: C15H16ClN5 MW: 301.77
LogP
4.07
HBA
5
HBD
1
TPSA
69.62 Ų
Drug Effect Type
reduces reactionupregulates expression
26056802

Drug 387 7-hydroxystaurosporine

InChIkey: PBCZSGKMGDDXIJ-HQCWYSJUSA-N MF: C28H26N4O4 MW: 482.53 Investigational
LogP
4.56
HBA
8
HBD
3
TPSA
89.68 Ų
Drug Effect Type
downregulates expression
11378265

Drug 388 Lovastatin

InChIkey: PCZOHLXUXFIOCF-BXMDZJJMSA-N MF: C24H36O5 MW: 404.54 Approved
LogP
4.20
HBA
5
HBD
1
TPSA
72.83 Ų
ATC Classification
C10AA02C10BA01
Drug Effect Type
reduces reactionupregulates expression
17088865
upregulates expressionenhances phosphorylation
21199873

Drug 389 Glycerol

InChIkey: PEDCQBHIVMGVHV-UHFFFAOYSA-N MF: C3H8O3 MW: 92.09 Approved
LogP
-1.67
HBA
3
HBD
3
TPSA
60.69 Ų
ATC Classification
A06AG04A06AX01
Drug Effect Type
enhances activity
15975526

Drug 390 Diallyl disulfide

InChIkey: PFRGXCVKLLPLIP-UHFFFAOYSA-N MF: C6H10S2 MW: 146.27
LogP
2.74
HBA
2
TPSA
50.60 Ų
Drug Effect Type
modulates reactionupregulates expression
11925476
reduces reactionupregulates expression
19202565

Drug 391 Cianidanol

InChIkey: PFTAWBLQPZVEMU-DZGCQCFKSA-N MF: C15H14O6 MW: 290.27 Approved
LogP
1.55
HBA
6
HBD
5
TPSA
110.38 Ų
Drug Effect Type
upregulates expression
23706674

Drug 392 Phorbol 12-myristate 13-acetate

InChIkey: PHEDXBVPIONUQT-RGYGYFBISA-N MF: C36H56O8 MW: 616.83 Investigational
LogP
5.75
HBA
8
HBD
3
TPSA
130.36 Ų
Drug Effect Type
enhances phosphorylation
8076368
enhances phosphorylation
8927716
downregulates expression
10910098
reduces reactionenhances activitymodulates localizationenhances phosphorylation
15542774

Drug 393 Halichondramide

InChIkey: PHNAXDMXCYGYGB-OOFFNIEVSA-N MF: C44H60N4O12 MW: 836.97
LogP
7.60
HBA
16
HBD
1
TPSA
206.76 Ų
Drug Effect Type
upregulates expression
23147639

Drug 394 Tributyltin

InChIkey: PIILXFBHQILWPS-UHFFFAOYSA-N MF: C12H27Sn MW: 290.04
LogP
4.88
Drug Effect Type
upregulates expression
25743928
downregulates expression
26961604
reduces reactionupregulates expression
36319700

Drug 395 S-(1,2-dichlorovinyl)cysteine

InChIkey: PJIHCWJOTSJIPQ-AGFFZDDWSA-N MF: C5H7Cl2NO2S MW: 216.09
LogP
2.11
HBA
4
HBD
2
TPSA
88.62 Ų
Drug Effect Type
upregulates expression
15967204

Drug 396 Casticin

InChIkey: PJQLSMYMOKWUJG-UHFFFAOYSA-N MF: C19H18O8 MW: 374.34
LogP
2.91
HBA
8
HBD
2
TPSA
107.59 Ų
Drug Effect Type
upregulates expressiondownregulates expression
29098808

Drug 397 Warfarin

InChIkey: PJVWKTKQMONHTI-UHFFFAOYSA-N MF: C19H16O4 MW: 308.33 Approved
LogP
3.61
HBA
4
HBD
1
TPSA
67.51 Ų
ATC Classification
B01AA03
Drug Effect Type
enhances degradation
14634213

Drug 398 Cyclosporin

InChIkey: PMATZTZNYRCHOR-CGLBZJNRSA-N MF: C62H111N11O12 MW: 1,202.61 Approved
LogP
4.15
HBA
23
HBD
5
TPSA
278.80 Ų
ATC Classification
L04AD01S01XA18
Drug Effect Type
modulates activity
25596134
reduces reactionmodulates localization
26884717

Drug 399 Purvalanol a

InChIkey: PMXCMJLOPOFPBT-HNNXBMFYSA-N MF: C19H25ClN6O MW: 388.89 Experimental
LogP
4.38
HBA
6
HBD
3
TPSA
87.89 Ų
Drug Effect Type
upregulates expression
15958644

Drug 400 Fenthion

InChIkey: PNVJTZOFSHSLTO-UHFFFAOYSA-N MF: C10H15O3PS2 MW: 278.33 Vet_approved
LogP
4.26
HBA
5
TPSA
94.89 Ų
Drug Effect Type
modulates activity
35435491

Drug 401 3-bromo-2-oxopropionic acid

InChIkey: PRRZDZJYSJLDBS-UHFFFAOYSA-N MF: C3H3BrO3 MW: 166.96 Investigational
LogP
0.04
HBA
3
HBD
1
TPSA
54.37 Ų
Drug Effect Type
reduces reactionupregulates expressionenhances reaction
21548882

Drug 402 Medroxyprogesterone acetate

InChIkey: PSGAAPLEWMOORI-PEINSRQWSA-N MF: C24H34O4 MW: 386.52 Approved
LogP
4.66
HBA
4
TPSA
60.44 Ų
ATC Classification
G03AA08G03AA17G03AC06... (+4)
Drug Effect Type
upregulates expressionmodulates cotreatment
22534328

Drug 403 Sodium arsenite

InChIkey: PTLRDCMBXHILCL-UHFFFAOYSA-M MF: AsNaO2 MW: 129.91
LogP
-0.62
HBA
2
TPSA
40.13 Ų
Drug Effect Type
reduces reactionupregulates expression
11507245
upregulates expression
11813266
reduces reactionmodulates reactionupregulates expression
15734884
upregulates expressionmodulates response to substance
16338954
reduces reactionmodulates reactionupregulates expressionenhances phosphorylationreduces response to substanceenhances cleavagereduces degradation
16614167
modulates reactionupregulates expressionenhances reaction
16966095
enhances activityupregulates expressiondownregulates expressionmodulates response to substance
17567589
reduces reactionmodulates localizationupregulates expression
17849503
reduces reactionmodulates localizationmodulates cotreatmentenhances phosphorylation
19010883
reduces reactionmodulates cotreatmentenhances phosphorylation
19082730
upregulates expression
19382146
reduces reactionenhances activitymodulates localizationupregulates expression
19931552
modulates response to substance
20000476
enhances ribosylation
20036271
reduces reactionmodulates localizationupregulates expressionenhances reactionenhances phosphorylation
20375080
reduces reactionupregulates expression
20390378
modulates reactionupregulates expressiondownregulates expression
21292642
reduces reactiondownregulates expressionenhances degradationreduces response to substance
21454520
reduces reactionupregulates expression
21696631
upregulates expression
22102309
modulates reactionenhances response to substancemodulates response to substance
22331493
reduces reactiondownregulates expression
22692362
reduces reactionmodulates bindingupregulates expressionenhances reactionmodulates cotreatmentdownregulates expressionenhances phosphorylationreduces phosphorylation
22706169
enhances activityupregulates expression
23219847
upregulates expression
23549458
enhances phosphorylation
26091798
modulates bindingenhances reaction
26148435
modulates reactionreduces phosphorylation
27287256
downregulates expression
27908234
enhances phosphorylation
28586017
reduces reactionmodulates localizationupregulates expressionenhances reactiondownregulates expression
28785074
upregulates expressionenhances phosphorylationreduces acetylation
29319823
upregulates expression
31120745
modulates reactionupregulates expression
33256086
enhances phosphorylationenhances acetylation
34798143
reduces reactionmodulates binding
36087615
enhances phosphorylation
36958258

Drug 404 Cladribine

InChIkey: PTOAARAWEBMLNO-KVQBGUIXSA-N MF: C10H12ClN5O3 MW: 285.69 Approved
LogP
0.28
HBA
8
HBD
3
TPSA
119.31 Ų
ATC Classification
L01BB04L04AA40
Drug Effect Type
modulates activity
35435491

Drug 405 Sodium fluoride

InChIkey: PUZPDOWCWNUUKD-UHFFFAOYSA-M MF: FNa MW: 41.99 Approved
LogP
-3.00
ATC Classification
A01AA01A01AA51A12CD01
Drug Effect Type
upregulates expression
22525295
upregulates expression
38342390

Drug 406 Acetylcysteine

InChIkey: PWKSKIMOESPYIA-BYPYZUCNSA-N MF: C5H9NO3S MW: 163.19 Approved
LogP
-0.10
HBA
5
HBD
3
TPSA
105.20 Ų
ATC Classification
R05CB01S01XA08V03AB23
Drug Effect Type
reduces reactionupregulates expression
9535218
reduces reactionenhances activityupregulates expression
10951577
reduces reactionenhances phosphorylation
14871840
reduces reactionreduces activityupregulates abundance
15059885
reduces reactionenhances activityenhances reactionenhances phosphorylation
15489221
reduces reactionupregulates expression
15904916
reduces reactionupregulates expressionenhances glutathionylation
17555331
reduces reactionmodulates cotreatmentdownregulates expression
18951928
reduces reactionupregulates expression
19202565
reduces reactionupregulates expression
19728331
reduces reactionmodulates cotreatmentdownregulates expression
20530418
reduces reactionupregulates expression
22260869
reduces reactionupregulates expression
22927544
reduces reactionupregulates expressionenhances phosphorylation
23274516
reduces reactionupregulates expression
23711929
reduces reactionenhances phosphorylation
24792323
reduces reactionupregulates expression
24967384
reduces reactionenhances phosphorylation
25305377
reduces reactionenhances phosphorylation
25939952
reduces reactionupregulates expression
26451628
reduces reactionmodulates localization
26884717
reduces reactiondownregulates expression
26942697
reduces reactionupregulates expressionmodulates cotreatment
27634759
reduces reactionmodulates cotreatmentenhances phosphorylation
29944906
reduces reactionupregulates expression
29962303
reduces reactionupregulates expression
30408460
reduces reactionenhances phosphorylation
30555576
reduces reactionupregulates expression
31433961
reduces reactionupregulates expression
31715134
reduces reactionupregulates expression
32017938
reduces reactionupregulates expression
32540572
modulates reactionmodulates expression
32905825
upregulates expressionenhances reaction
35065218
reduces reactionupregulates expression
35123993
reduces reactionupregulates expression
37487865
modulates cotreatmentreduces localization
38311193
reduces reactionenhances phosphorylation
38431053

Drug 407 Nickel

InChIkey: PXHVJJICTQNCMI-UHFFFAOYSA-N MF: Ni MW: 58.69
LogP
0.00
Drug Effect Type
upregulates expressionmodulates cotreatment
20577783
upregulates expression
23776134
enhances activitymodulates reactionupregulates expressionenhances phosphorylationenhances cleavage
24068677
modulates bindingupregulates expression
36073959

Drug 408 Sodium chromate

InChIkey: PXLIDIMHPNPGMH-UHFFFAOYSA-N MF: CrNa2O4 MW: 161.97
LogP
-0.48
HBA
4
TPSA
80.26 Ų
Drug Effect Type
upregulates expression
16283527

Drug 409 3,5,3',4',5'-pentamethoxystilbene

InChIkey: PYSIIZCKWCWZPP-UHFFFAOYSA-N MF: C19H22O5 MW: 330.38
LogP
3.90
HBA
5
TPSA
46.15 Ų
Drug Effect Type
upregulates expression
19916542

Drug 410 Protopanaxadiol

InChIkey: PYXFVCFISTUSOO-VUFVRDRTSA-N MF: C30H52O3 MW: 460.73
LogP
6.50
HBA
3
HBD
3
TPSA
60.69 Ų
Drug Effect Type
upregulates expression
31805304

Drug 411 Caffeic acid

InChIkey: QAIPRVGONGVQAS-DUXPYHPUSA-N MF: C9H8O4 MW: 180.16 Investigational
LogP
1.20
HBA
4
HBD
3
TPSA
77.76 Ų
Drug Effect Type
modulates expression
11522280

Drug 412 3-nitrobenzanthrone

InChIkey: QAJOWHGESRCVLY-UHFFFAOYSA-N MF: C17H9NO3 MW: 275.26
LogP
4.48
HBA
1
TPSA
62.89 Ų
Drug Effect Type
downregulates expression
34036453

Drug 413 Iodochlorhydroxyquin

InChIkey: QCDFBFJGMNKBDO-UHFFFAOYSA-N MF: C9H5ClINO MW: 305.50 Approved
LogP
3.20
HBA
2
HBD
1
TPSA
33.12 Ų
ATC Classification
D08AH30D09AA10G01AC02... (+3)
Drug Effect Type
reduces reactionenhances phosphorylation
22627294

Drug 414 Wortmannin

InChIkey: QDLHCMPXEPAAMD-QAIWCSMKSA-N MF: C23H24O8 MW: 428.43 Experimental
LogP
2.54
HBA
8
TPSA
109.11 Ų
Drug Effect Type
reduces reactionupregulates expressionenhances phosphorylation
12676607
reduces reactionenhances reactionenhances phosphorylation
15489221
reduces reactionenhances phosphorylation
15837074
reduces reactionenhances phosphorylation
16024610
reduces reactionenhances phosphorylation
17534123
upregulates expressionenhances reactionenhances phosphorylation
18298901
reduces reactionenhances phosphorylation
19111594
reduces reactionupregulates expressionenhances phosphorylationreduces phosphorylation
22119920
reduces reactiondownregulates expressionenhances phosphorylationreduces phosphorylation
22290291

Drug 415 Propylparaben

InChIkey: QELSKZZBTMNZEB-UHFFFAOYSA-N MF: C10H12O3 MW: 180.20 Approved
LogP
1.96
HBA
3
HBD
1
TPSA
46.53 Ų
Drug Effect Type
upregulates expression
24481588

Drug 416 Sirolimus

InChIkey: QFJCIRLUMZQUOT-HPLJOQBZSA-N MF: C51H79NO13 MW: 914.17 Approved
LogP
6.12
HBA
14
HBD
3
TPSA
195.43 Ų
ATC Classification
L04AA10S01XA23
Drug Effect Type
reduces activityreduces phosphorylation
11602639
upregulates expressionenhances reaction
19560264
reduces reactionenhances reactionenhances phosphorylation
30555576

Drug 417 PD-98059

InChIkey: QFWCYNPOPKQOKV-UHFFFAOYSA-N MF: C16H13NO3 MW: 267.28 Investigational
LogP
3.63
HBA
4
HBD
1
TPSA
65.46 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
11889192
reduces reactionenhances activityenhances phosphorylation
12131363
upregulates expressionenhances response to substanceenhances reactionupregulates abundance
15880691
reduces reactionenhances phosphorylation
16814113
reduces reactionmodulates bindingenhances reactionenhances phosphorylation
16928824
reduces reactionenhances activitymodulates localizationenhances phosphorylation
18446786
reduces reactionenhances phosphorylation
29242151
reduces reactionenhances phosphorylation
29383186
reduces reactionenhances phosphorylation
29405768
reduces reactionupregulates expression
38000455

Drug 418 Betulinic acid

InChIkey: QGJZLNKBHJESQX-FZFNOLFKSA-N MF: C30H48O3 MW: 456.70 Approved
LogP
7.09
HBA
3
HBD
2
TPSA
57.53 Ų
Drug Effect Type
upregulates expressionmodulates cotreatment
33181113

Drug 419 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole

InChIkey: QHKYPYXTTXKZST-UHFFFAOYSA-N MF: C20H14FN3O MW: 331.34
LogP
4.65
HBA
3
HBD
2
TPSA
61.80 Ų
Drug Effect Type
reduces reactionupregulates expression
18085531
reduces reactionenhances phosphorylation
20067818
reduces phosphorylation
25305377

Drug 420 Cannabidiol

InChIkey: QHMBSVQNZZTUGM-ZWKOTPCHSA-N MF: C21H30O2 MW: 314.46 Approved
LogP
5.85
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
N03AX24
Drug Effect Type
upregulates expression
27918106
downregulates expression
31349651
enhances activitymodulates localizationupregulates expressionenhances phosphorylation
36519830

Drug 421 Thiobencarb

InChIkey: QHTQREMOGMZHJV-UHFFFAOYSA-N MF: C12H16ClNOS MW: 257.78
LogP
4.04
HBA
3
TPSA
45.61 Ų
Drug Effect Type
modulates activity
35435491

Drug 422 Hydroquinone

InChIkey: QIGBRXMKCJKVMJ-UHFFFAOYSA-N MF: C6H6O2 MW: 110.11 Approved
LogP
1.10
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
D11AX11
Drug Effect Type
modulates reactionupregulates expressionenhances acetylation
17875398
modulates expression
27515134
modulates expressionmodulates response to substance
28444915
reduces reactiondownregulates expression
33771647
modulates reactiondownregulates expression
33932074
reduces reactionupregulates expression
35123993
upregulates expressionenhances reaction
39029599

Drug 423 Syringin

InChIkey: QJVXKWHHAMZTBY-GCPOEHJPSA-N MF: C17H24O9 MW: 372.37
LogP
-1.11
HBA
9
HBD
5
TPSA
138.07 Ų
Drug Effect Type
upregulates expression
35580997

Drug 424 Mal.4

InChIkey: QKHJBWUGXMKHAK-OLZOCXBDSA-N MF: C19H24O4 MW: 316.39
LogP
3.87
HBA
4
HBD
3
TPSA
69.92 Ų
Drug Effect Type
upregulates expressionenhances stability
17393435

Drug 425 Chloroquine phosphate

InChIkey: QKICWELGRMTQCR-UHFFFAOYSA-N MF: C18H32ClN3O8P2 MW: 515.86
LogP
3.03
HBA
11
HBD
7
TPSA
203.30 Ų
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatmentreduces localization
38311193

Drug 426 Mustard gas

InChIkey: QKSKPIVNLNLAAV-UHFFFAOYSA-N MF: C4H8Cl2S MW: 159.08
LogP
2.20
HBA
1
TPSA
25.30 Ų
Drug Effect Type
upregulates expression
9665388
upregulates expression
11428642
upregulates expression
19748996
enhances phosphorylation
19845377
enhances phosphorylation
20143454
reduces reactionupregulates expressionenhances phosphorylation
22119920
upregulates expression
25102026

Drug 427 Bisindolylmaleimide i

InChIkey: QMGUOJYZJKLOLH-UHFFFAOYSA-N MF: C25H24N4O2 MW: 412.48 Experimental
LogP
3.97
HBA
5
HBD
2
TPSA
70.13 Ų
Drug Effect Type
upregulates expressionreduces degradation
16055726

Drug 428 Nickel-63(ii) chloride

InChIkey: QMMRZOWCJAIUJA-UHFFFAOYSA-L MF: Cl2Ni MW: 129.60
LogP
1.38
Drug Effect Type
enhances phosphorylation
21466819
enhances activitymodulates reactionupregulates expressionenhances phosphorylation
23566959
reduces activity
25446071
upregulates expression
28552779
upregulates expression
29110037

Drug 429 Okadaic acid

InChIkey: QNDVLZJODHBUFM-WFXQOWMNSA-N MF: C44H68O13 MW: 805.00 Experimental
LogP
5.21
HBA
13
HBD
5
TPSA
182.83 Ų
Drug Effect Type
downregulates expression
18937299
modulates localization
21512803
reduces reactionmodulates reactionmodulates localizationupregulates expressionenhances reaction
24954032

Drug 430 Pentetic acid

InChIkey: QPCDCPDFJACHGM-UHFFFAOYSA-N MF: C14H23N3O10 MW: 393.35 Approved
LogP
-2.68
HBA
13
HBD
5
TPSA
196.22 Ų
Drug Effect Type
reduces reactionupregulates expressionenhances phosphorylation
21557991

Drug 431 Azaribine

InChIkey: QQOBRRFOVWGIMD-OJAKKHQRSA-N MF: C14H17N3O9 MW: 371.30
LogP
-1.74
HBA
11
HBD
1
TPSA
155.88 Ų
Drug Effect Type
modulates activity
35435491

Drug 432 Chloroacetaldehyde

InChIkey: QSKPIOLLBIHNAC-UHFFFAOYSA-N MF: C2H3ClO MW: 78.50
LogP
0.42
HBA
1
TPSA
17.07 Ų
Drug Effect Type
modulates activity
25596134

Drug 433 Ethidium

InChIkey: QTANTQQOYSUMLC-UHFFFAOYSA-O MF: C21H20N3+ MW: 314.40 Investigational
LogP
5.29
HBA
2
HBD
2
TPSA
55.92 Ų
Drug Effect Type
modulates activity
35435491

Drug 434 Arsenic trioxide

InChIkey: QTLQKAJBUDWPIB-UHFFFAOYSA-N MF: As2O3 MW: 197.84
LogP
-0.44
HBD
2
Drug Effect Type
upregulates expression
10841286
upregulates expression
10850458
upregulates expression
11146441
upregulates expression
11834893
upregulates expression
12490120
reduces reactionenhances activitymodulates reactionupregulates expressionenhances cleavage
12851490
upregulates expression
15352174
reduces reactionupregulates expression
15904916
upregulates expression
15979894
upregulates expression
16467208
enhances activityupregulates expression
17064470
enhances activityupregulates expression
18167198
upregulates expression
19444595
enhances degradation
19457607
upregulates expressiondownregulates expressionreduces response to substance
21454520
upregulates expression
21792014
upregulates expression
23440206
downregulates expressionmodulates expressionmodulates response to substanceupregulates abundance
23968587
modulates cotreatmentmodulates expression
24738333
reduces response to substance
24884809
enhances phosphorylationenhances stability
25574600
upregulates expressionenhances reaction
26110921
upregulates expressionmodulates cotreatment
27430728
downregulates expression
29164574
reduces reactiondownregulates expression
29266867
modulates response to substance
29535630
reduces reactionmodulates cotreatmentenhances phosphorylation
29944906
upregulates expressionmodulates cotreatment
30012499
enhances phosphorylation
30472098
upregulates expressionmodulates cotreatment
31307525
reduces reactionupregulates expression
31734849
reduces reactionupregulates expression
32017938
reduces reactionmodulates bindingupregulates expressionenhances reactiondownregulates expression
34042274
modulates response to substance
35030298
upregulates expressionmodulates cotreatment
36352148
enhances phosphorylation
36801614

Drug 435 Geldanamycin

InChIkey: QTQAWLPCGQOSGP-KSRBKZBZSA-N MF: C29H40N2O9 MW: 560.64 Investigational
LogP
3.44
HBA
11
HBD
3
TPSA
163.48 Ų
Drug Effect Type
reduces reactionmodulates localization
17293044
modulates expression
24211270

Drug 436 Tocopherols

InChIkey: QUEDXNHFTDJVIY-UHFFFAOYSA-N MF: C28H48O2 MW: 416.68
LogP
8.53
HBA
2
HBD
1
TPSA
29.46 Ų
Drug Effect Type
enhances activity
15883045

Drug 437 Methoxsalen

InChIkey: QXKHYNVANLEOEG-UHFFFAOYSA-N MF: C12H8O4 MW: 216.19 Approved
LogP
2.55
HBA
4
TPSA
52.58 Ų
ATC Classification
D05AD02D05BA02
Drug Effect Type
upregulates expression
22796345
reduces reactionupregulates expression
23907605

Drug 438 Piroxicam

InChIkey: QYSPLQLAKJAUJT-UHFFFAOYSA-N MF: C15H13N3O4S MW: 331.35 Approved
LogP
2.67
HBA
7
HBD
2
TPSA
107.98 Ų
ATC Classification
M01AC01M02AA07S01BC06
Drug Effect Type
upregulates expressionenhances reaction
21858171

Drug 439 Perfluorohexanesulfonic acid

InChIkey: QZHDEAJFRJCDMF-UHFFFAOYSA-N MF: C6HF13O3S MW: 400.11
LogP
4.65
HBA
3
HBD
1
TPSA
62.75 Ų
Drug Effect Type
downregulates expression
34843762

Drug 440 Xanthatin

InChIkey: RBRPTFMVULVGIC-ZTIIIDENSA-N MF: C15H18O3 MW: 246.30
LogP
2.59
HBA
3
TPSA
43.37 Ų
Drug Effect Type
enhances response to substanceenhances reactiondownregulates expressionreduces stabilityreduces phosphorylation
29074359

Drug 441 Paclitaxel

InChIkey: RCINICONZNJXQF-MZXODVADSA-N MF: C47H51NO14 MW: 853.91 Approved
LogP
4.13
HBA
15
HBD
4
TPSA
221.29 Ų
ATC Classification
L01CD01
Drug Effect Type
upregulates expression
9041188
upregulates expressiondownregulates expression
11774260
upregulates expression
12082016
upregulates expression
14991574
upregulates expressionreduces response to substance
15990222
upregulates expressionenhances reactionmodulates cotreatment
16168113
upregulates expressionmodulates cotreatment
16413505
reduces reactionupregulates expression
16601104
reduces response to substance
16734730
upregulates expression
18451153
upregulates expression
18516295
upregulates expression
19815708
upregulates expressionmodulates cotreatment
33002289
reduces reactionupregulates expression
33422634

Drug 442 Quercetin

InChIkey: REFJWTPEDVJJIY-UHFFFAOYSA-N MF: C15H10O7 MW: 302.24 Investigational
LogP
1.99
HBA
7
HBD
5
TPSA
131.36 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
15177039
reduces reactionupregulates expressionenhances reactionenhances phosphorylation
15735102
reduces reactionenhances activityenhances phosphorylation
15795422
downregulates expression
16720314
downregulates expression
16948901
upregulates expression
17973296
upregulates expressionenhances phosphorylationenhances stabilityreduces ubiquitination
18323654
reduces reactionmodulates activity
19424582
upregulates expression
19623560
upregulates expressionmodulates cotreatment
20577783
upregulates expression
20803121
upregulates expression
21933852
reduces reactionenhances phosphorylation
22983795
modulates localizationupregulates expression
23918355
downregulates expression
24849437
enhances activityenhances phosphorylation
25078064
reduces reactionupregulates expression
25108166
upregulates expression
25289772
modulates reactionupregulates expressionenhances acetylation
25896587
upregulates expression
26311153
upregulates expression
26341291
reduces reactionupregulates expression
32329368

Drug 443 3,4,5,3',4'-pentachlorobiphenyl

InChIkey: REHONNLQRWTIFF-UHFFFAOYSA-N MF: C12H5Cl5 MW: 326.43
LogP
6.62
Drug Effect Type
reduces reactionupregulates expressiondownregulates expression
19751709
reduces reactionmodulates localizationupregulates expressionenhances phosphorylation
20840854

Drug 444 Phosphamidon

InChIkey: RGCLLPNLLBQHPF-HJWRWDBZSA-N MF: C10H19ClNO5P MW: 299.69
LogP
2.74
HBA
6
TPSA
74.88 Ų
Drug Effect Type
modulates activity
35435491

Drug 445 Benomyl

InChIkey: RIOXQFHNBCKOKP-UHFFFAOYSA-N MF: C14H18N4O3 MW: 290.32
LogP
3.04
HBA
7
HBD
2
TPSA
85.25 Ų
Drug Effect Type
modulates activity
35435491

Drug 446 Axitinib

InChIkey: RITAVMQDGBJQJZ-FMIVXFBMSA-N MF: C22H18N4OS MW: 386.47 Approved
LogP
5.03
HBA
5
HBD
2
TPSA
95.97 Ų
ATC Classification
L01EK01
Drug Effect Type
modulates activity
35435491

Drug 447 Urolithin a

InChIkey: RIUPLDUFZCXCHM-UHFFFAOYSA-N MF: C13H8O4 MW: 228.20 Investigational
LogP
2.36
HBA
4
HBD
2
TPSA
70.67 Ų
Drug Effect Type
upregulates expression
32179165

Drug 448 Ethion

InChIkey: RIZMRRKBZQXFOY-UHFFFAOYSA-N MF: C9H22O4P2S4 MW: 384.48
LogP
6.31
HBA
8
TPSA
171.32 Ų
Drug Effect Type
modulates activity
35435491

Drug 449 Selenomethionine

InChIkey: RJFAYQIBOAGBLC-UHFFFAOYSA-N MF: C5H11NO2Se MW: 196.11
LogP
0.66
HBA
3
HBD
2
TPSA
63.32 Ų
Drug Effect Type
reduces activity
17100737
reduces reactionenhances activity
21515331

Drug 450 Progesterone

InChIkey: RJKFOVLPORLFTN-LEKSSAKUSA-N MF: C21H30O2 MW: 314.46 Approved
LogP
4.72
HBA
2
TPSA
34.14 Ų
ATC Classification
G03DA04G03FA04
Drug Effect Type
enhances response to substancedownregulates expression
14529565
upregulates expression
18850315
modulates reactionupregulates expression
37009741

Drug 451 Niclosamide

InChIkey: RJMUSRYZPJIFPJ-UHFFFAOYSA-N MF: C13H8Cl2N2O4 MW: 327.12 Approved
LogP
4.46
HBA
3
HBD
2
TPSA
95.15 Ų
ATC Classification
P02DA01
Drug Effect Type
upregulates expression
29031202
reduces reactionupregulates expressionenhances response to substancereduces response to substance
30258081
upregulates expression
36318118

Drug 452 Dactinomycin

InChIkey: RJURFGZVJUQBHK-IIXSONLDSA-N MF: C62H86N12O16 MW: 1,255.42 Approved
LogP
2.37
HBA
28
HBD
5
TPSA
359.98 Ų
ATC Classification
L01DA01
Drug Effect Type
reduces reactionenhances activityupregulates expression
10531375
modulates localizationupregulates expression
12807743
enhances activity
12869419
reduces reactionupregulates expression
12927789
modulates localizationenhances reactionenhances stability
16024796
upregulates expression
17581298
enhances activity
20655369
modulates cotreatmentdownregulates expression
23968587
upregulates expressionmodulates cotreatmentenhances secretion
38460933

Drug 453 Atropine

InChIkey: RKUNBYITZUJHSG-PJPHBNEVSA-N MF: C17H23NO3 MW: 289.37 Approved
LogP
1.87
HBA
4
HBD
1
TPSA
49.77 Ų
ATC Classification
A03BA01A03CB03S01FA01
Drug Effect Type
reduces reactionupregulates expression
12762645

Drug 454 Parathion-methyl

InChIkey: RLBIQVVOMOPOHC-UHFFFAOYSA-N MF: C8H10NO5PS MW: 263.21
LogP
3.66
HBA
4
TPSA
115.41 Ų
Drug Effect Type
modulates activity
35435491

Drug 455 Goniothalamin

InChIkey: RLGHFVLWYYVMQZ-BZYZDCJZSA-N MF: C13H12O2 MW: 200.23
LogP
2.57
HBA
2
TPSA
26.30 Ų
Drug Effect Type
upregulates expression
20498002
reduces reactionenhances activityupregulates expressionenhances localizationenhances phosphorylation
21810437

Drug 456 Methoxyacetic acid

InChIkey: RMIODHQZRUFFFF-UHFFFAOYSA-N MF: C3H6O3 MW: 90.08
LogP
-0.28
HBA
3
HBD
1
TPSA
46.53 Ų
Drug Effect Type
reduces reactionupregulates expression
21573189

Drug 457 Beta-d-fructose 1,6-bisphosphate

InChIkey: RNBGYGVWRKECFJ-ARQDHWQXSA-N MF: C6H14O12P2 MW: 340.12 Experimental
LogP
-2.99
HBA
12
HBD
7
TPSA
223.06 Ų
Drug Effect Type
upregulates expression
33078453

Drug 458 Zebularine

InChIkey: RPQZTTQVRYEKCR-WCTZXXKLSA-N MF: C9H12N2O5 MW: 228.20 Experimental
LogP
-2.15
HBA
7
HBD
3
TPSA
104.81 Ų
Drug Effect Type
upregulates expression
23320119

Drug 459 Hydralazine

InChIkey: RPTUSVTUFVMDQK-UHFFFAOYSA-N MF: C8H8N4 MW: 160.18 Approved
LogP
1.69
HBA
4
HBD
2
TPSA
63.83 Ų
ATC Classification
C02DB02C02LG02
Drug Effect Type
enhances activity
12082016

Drug 460 Cilostazol

InChIkey: RRGUKTPIGVIEKM-UHFFFAOYSA-N MF: C20H27N5O2 MW: 369.46 Approved
LogP
3.60
HBA
7
HBD
1
TPSA
81.93 Ų
ATC Classification
B01AC23
Drug Effect Type
upregulates expression
10642304

Drug 461 Bensulide

InChIkey: RRNIZKPFKNDSRS-UHFFFAOYSA-N MF: C14H24NO4PS3 MW: 397.51
LogP
5.89
HBA
7
HBD
1
TPSA
140.21 Ų
Drug Effect Type
modulates activity
35435491

Drug 462 Chrysin

InChIkey: RTIXKCRFFJGDFG-UHFFFAOYSA-N MF: C15H10O4 MW: 254.24 Experimental
LogP
2.87
HBA
4
HBD
2
TPSA
70.67 Ų
Drug Effect Type
enhances degradation
14634213
reduces reactionmodulates localizationupregulates expressionmodulates cotreatmentenhances phosphorylation
25770930
modulates activity
35435491

Drug 463 Trichostatin a

InChIkey: RTKIYFITIVXBLE-QEQCGCAPSA-N MF: C17H22N2O3 MW: 302.37 Experimental
LogP
2.97
HBA
5
HBD
2
TPSA
69.64 Ų
Drug Effect Type
downregulates expression
15179185
enhances activityenhances acetylation
15964798
reduces reactionenhances response to substance
16467109
modulates reactionupregulates expression
20043870
upregulates expressionmodulates cotreatment
22626855
upregulates expressionenhances reactionenhances acetylation
25699604
reduces reactionupregulates expressionenhances reactionenhances acetylation
26768552

Drug 464 C9h9hgnao2s

InChIkey: RTKIYNMVFMVABJ-UHFFFAOYSA-L MF: C9H9HgNaO2S MW: 404.81 Approved
LogP
1.58
HBA
3
TPSA
65.43 Ų
ATC Classification
D08AK06
Drug Effect Type
modulates activity
35435491

Drug 465 Ursodeoxycholic acid

InChIkey: RUDATBOHQWOJDD-UZVSRGJWSA-N MF: C24H40O4 MW: 392.57 Approved
LogP
4.48
HBA
4
HBD
3
TPSA
77.76 Ų
ATC Classification
A05AA02
Drug Effect Type
reduces reactionenhances ubiquitination
20807506

Drug 466 Ochratoxin a

InChIkey: RWQKHEORZBHNRI-BMIGLBTASA-N MF: C20H18ClNO6 MW: 403.81
LogP
2.96
HBA
7
HBD
3
TPSA
112.93 Ų
Drug Effect Type
upregulates expression
19367635
upregulates expression
28286205
upregulates expressionenhances phosphorylation
32910239
modulates reactionenhances phosphorylation
39117293

Drug 467 Glutathione

InChIkey: RWSXRVCMGQZWBV-WDSKDSINSA-N MF: C10H17N3O6S MW: 307.32 Approved
LogP
-0.72
HBA
10
HBD
6
TPSA
197.62 Ų
ATC Classification
V03AB32
Drug Effect Type
upregulates expression
10897038
reduces reactionenhances activitydownregulates abundance
12807757
downregulates abundance
12967322
reduces reactionenhances glutathionylation
17555331
reduces reactionupregulates expression
19202565
reduces reactionupregulates expression
22927544
reduces reactionupregulates expressionmodulates cotreatment
27634759

Drug 468 Copper

InChIkey: RYGMFSIKBFXOCR-UHFFFAOYSA-N MF: Cu MW: 63.55 Approved
LogP
-0.00
Drug Effect Type
reduces reactionupregulates expressionupregulates abundanceenhances oxidation
11964141
reduces reactionupregulates expressionenhances response to substanceenhances reactionenhances phosphorylationupregulates abundance
15880691
reduces activity
16246896
enhances activitymodulates localizationupregulates expression
16391388
reduces reactionmodulates bindingupregulates expression
17327230
upregulates expression
20875833
modulates bindingreduces activity
20931265
modulates bindingupregulates expression
30911355

Drug 469 Simvastatin

InChIkey: RYMZZMVNJRMUDD-HGQWONQESA-N MF: C25H38O5 MW: 418.57 Approved
LogP
4.59
HBA
5
HBD
1
TPSA
72.83 Ų
ATC Classification
A10BH51C10AA01C10BA02... (+3)
Drug Effect Type
modulates bindingenhances reaction
15625077
reduces reactionupregulates expressionenhances phosphorylation
20045437
modulates bindingupregulates expressionenhances reactionenhances phosphorylation
21199873

Drug 470 Caffeine

InChIkey: RYYVLZVUVIJVGH-UHFFFAOYSA-N MF: C8H10N4O2 MW: 194.19 Approved
LogP
-1.03
HBA
6
TPSA
61.82 Ų
ATC Classification
D11AX26N06BC01R03DA20... (+1)
Drug Effect Type
reduces reactionenhances phosphorylation
12393500
enhances phosphorylation
12811820
reduces reactionenhances phosphorylation
16024610
reduces reactionenhances phosphorylation
16777994
reduces reactionenhances phosphorylation
17919456
reduces reactionupregulates expressionenhances phosphorylation
17977830
reduces reactionenhances phosphorylation
19028473
reduces reactionupregulates expression
19735649
reduces reactionenhances activityenhances phosphorylation
22226932
reduces reactionupregulates expression
22927544
reduces reactionupregulates expressionenhances phosphorylation
23274516
reduces reactionenhances phosphorylation
23523585
reduces reactionenhances reactionenhances phosphorylation
30555576
reduces reactionenhances phosphorylation
31168028
reduces phosphorylation
35688186

Drug 471 Celecoxib

InChIkey: RZEKVGVHFLEQIL-UHFFFAOYSA-N MF: C17H14F3N3O2S MW: 381.37 Approved
LogP
5.30
HBA
5
HBD
1
TPSA
86.36 Ų
ATC Classification
C08CA51G01AE10L01XX33... (+2)
Drug Effect Type
modulates cotreatmentdownregulates expression
16507397
upregulates expressionenhances reactionenhances phosphorylation
18760266
reduces reactionenhances activityupregulates expressionenhances localization
19706164

Drug 472 Cetrorelix

InChIkey: SBNPWPIBESPSIF-MHWMIDJBSA-N MF: C70H92ClN17O14 MW: 1,431.04 Approved
LogP
5.93
HBA
31
HBD
16
TPSA
498.17 Ų
ATC Classification
H01CC02
Drug Effect Type
upregulates expression
21062912

Drug 473 Chlorpyrifos

InChIkey: SBPBAQFWLVIOKP-UHFFFAOYSA-N MF: C9H11Cl3NO3PS MW: 350.59
LogP
5.37
HBA
5
TPSA
82.48 Ų
Drug Effect Type
reduces reactionenhances reactiondownregulates expression
27993609
modulates activity
35435491

Drug 474 Sbxwflishpuiny-uhfffaoysa-n

InChIkey: SBXWFLISHPUINY-UHFFFAOYSA-N MF: C18H15Sn MW: 350.01
LogP
2.20
Drug Effect Type
upregulates expression
25743928

Drug 475 Ciclopirox

InChIkey: SCKYRAXSEDYPSA-UHFFFAOYSA-N MF: C12H17NO2 MW: 207.27 Approved
LogP
2.44
HBA
3
HBD
1
TPSA
42.23 Ų
ATC Classification
D01AE14G01AX12
Drug Effect Type
modulates activity
35435491

Drug 476 Gemcitabine

InChIkey: SDUQYLNIPVEERB-QPPQHZFASA-N MF: C9H11F2N3O4 MW: 263.20 Approved
LogP
-0.71
HBA
7
HBD
3
TPSA
110.60 Ų
ATC Classification
L01BC05
Drug Effect Type
upregulates expression
12082016
reduces reactionupregulates expression
16601104
upregulates expression
17671697
modulates activity
35435491

Drug 477 Silibinin

InChIkey: SEBFKMXJBCUCAI-HKTJVKLFSA-N MF: C25H22O10 MW: 482.44 Investigational
LogP
2.36
HBA
10
HBD
5
TPSA
155.14 Ų
ATC Classification
A05BA03
Drug Effect Type
reduces reactionmodulates localizationupregulates expressionenhances phosphorylation
16777994

Drug 478 Melphalan

InChIkey: SGDBTWWWUNNDEQ-LBPRGKRZSA-N MF: C13H18Cl2N2O2 MW: 305.20 Approved
LogP
2.63
HBA
4
HBD
2
TPSA
66.56 Ų
ATC Classification
L01AA03
Drug Effect Type
modulates activity
35435491

Drug 479 Tenofovir

InChIkey: SGOIRFVFHAKUTI-ZCFIWIBFSA-N MF: C9H14N5O4P MW: 287.21 Investigational
LogP
0.53
HBA
9
HBD
3
TPSA
146.19 Ų
Drug Effect Type
upregulates expressionmodulates cotreatment
31545371

Drug 480 Tretinoin

InChIkey: SHGAZHPCJJPHSC-YCNIQYBTSA-N MF: C20H28O2 MW: 300.44 Approved
LogP
5.60
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
D10AD01D10AD51L01XF01
Drug Effect Type
upregulates expression
15254726
enhances activity
15674351
downregulates expression
16461808
upregulates expression
16473924
enhances degradationenhances ubiquitination
16740359
upregulates expression
16752155
upregulates expression
16935849
reduces reactionmodulates localization
17293044
reduces reactionmodulates bindingupregulates expression
17327230
modulates cotreatmentdownregulates expression
20349282
upregulates expression
20507312
reduces reactionenhances acetylation
21532991
reduces reactionupregulates expressionenhances uptake
21548882

Drug 481 Versicolorin a

InChIkey: SJNDYXPJRUTLNW-ULCDLSAGSA-N MF: C18H10O7 MW: 338.27
LogP
1.92
HBA
7
HBD
3
TPSA
113.29 Ų
Drug Effect Type
enhances phosphorylation
32106047
enhances phosphorylation
33984424

Drug 482 Quinoline

InChIkey: SMWDFEZZVXVKRB-UHFFFAOYSA-N MF: C9H7N MW: 129.16
LogP
2.23
HBA
1
TPSA
12.89 Ų
Drug Effect Type
enhances activity
12082016
upregulates expression
18645022

Drug 483 Perfluorooctanoic acid

InChIkey: SNGREZUHAYWORS-UHFFFAOYSA-N MF: C8HF15O2 MW: 414.07
LogP
4.45
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
upregulates expression
34765786

Drug 484 Nicotine

InChIkey: SNICXCGAKADSCV-JTQLQIEISA-N MF: C10H14N2 MW: 162.23 Approved
LogP
1.79
HBA
2
TPSA
16.13 Ų
ATC Classification
N07BA01
Drug Effect Type
downregulates expression
16011614
reduces reactionupregulates expression
16601104
reduces reactiondownregulates expression
18805435
reduces reactiondownregulates expression
19139119
modulates reactionupregulates expressionenhances phosphorylation
20727180
reduces reactionupregulates expression
23907605
downregulates expressionenhances phosphorylationenhances ubiquitination
30272249

Drug 485 Salvianolic acid b

InChIkey: SNKFFCBZYFGCQN-VWUOOIFGSA-N MF: C36H30O16 MW: 718.61
LogP
3.33
HBA
16
HBD
9
TPSA
278.04 Ų
Drug Effect Type
reduces acetylation
24769256

Drug 486 Zoxamide

InChIkey: SOUGWDPPRBKJEX-UHFFFAOYSA-N MF: C14H16Cl3NO2 MW: 336.64
LogP
4.40
HBA
3
HBD
1
TPSA
46.17 Ų
Drug Effect Type
modulates activity
35435491

Drug 487 alpha-Chlorohydrin

InChIkey: SSZWWUDQMAHNAQ-UHFFFAOYSA-N MF: C3H7ClO2 MW: 110.54
LogP
-0.42
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
upregulates expression
28070108

Drug 488 Daunorubicin

InChIkey: STQGQHZAVUOBTE-VGBVRHCVSA-N MF: C27H29NO10 MW: 527.52 Approved
LogP
1.73
HBA
11
HBD
5
TPSA
185.84 Ų
ATC Classification
L01DB02L01XY01
Drug Effect Type
enhances activity
12112851
enhances activitymodulates cotreatment
21518493
upregulates expressionenhances phosphorylation
23872705
modulates activity
35435491

Drug 489 Sulforaphane

InChIkey: SUVMJBTUFCVSAD-UHFFFAOYSA-N MF: C6H11NOS2 MW: 177.29
LogP
2.11
HBA
3
TPSA
80.73 Ų
Drug Effect Type
downregulates expression
27878984
reduces reactionupregulates expression
36990132

Drug 490 Caffeic acid phenethyl ester

InChIkey: SWUARLUWKZWEBQ-VQHVLOKHSA-N MF: C17H16O4 MW: 284.31
LogP
2.90
HBA
4
HBD
2
TPSA
66.76 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
17204746
reduces reactiondownregulates expression
22692362
reduces reactionupregulates expression
26056802

Drug 491 Fingolimod hydrochloride

InChIkey: SWZTYAVBMYWFGS-UHFFFAOYSA-N MF: C19H34ClNO2 MW: 343.93
LogP
4.71
HBA
3
HBD
4
TPSA
66.48 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
25939952

Drug 492 Flurbiprofen

InChIkey: SYTBZMRGLBWNTM-UHFFFAOYSA-N MF: C15H13FO2 MW: 244.26 Approved
LogP
3.68
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
M01AE09M02AA19R02AX01... (+1)
Drug Effect Type
upregulates expression
11687965
enhances response to substanceenhances phosphorylationreduces response to substanceupregulates abundance
15710360

Drug 493 Perifosine

InChIkey: SZFPYBIJACMNJV-UHFFFAOYSA-N MF: C25H52NO4P MW: 461.66 Investigational
LogP
8.02
HBA
4
TPSA
68.40 Ų
Drug Effect Type
reduces reactionupregulates expression
30265530

Drug 494 Olaquindox

InChIkey: TURHTASYUMWZCC-UHFFFAOYSA-N MF: C12H13N3O4 MW: 263.25
LogP
0.32
HBA
6
HBD
2
TPSA
102.78 Ų
Drug Effect Type
upregulates expression
21549799
reduces reactiondownregulates expression
28757460

Drug 495 Icaritin

InChIkey: TUUXBSASAQJECY-UHFFFAOYSA-N MF: C21H20O6 MW: 368.38 Investigational
LogP
4.09
HBA
6
HBD
3
TPSA
100.13 Ų
Drug Effect Type
reduces reactionupregulates expressionenhances phosphorylationreduces degradation
38431053

Drug 496 Pi-103

InChIkey: TUVCWJQQGGETHL-UHFFFAOYSA-N MF: C19H16N4O3 MW: 348.36 Investigational
LogP
3.05
HBA
7
HBD
1
TPSA
84.51 Ų
Drug Effect Type
reduces reactionenhances activityupregulates expressionenhances response to substanceenhances reactionmodulates cotreatmentenhances cleavage
20856197

Drug 497 Pravastatin

InChIkey: TUZYXOIXSAXUGO-PZAWKZKUSA-N MF: C23H36O7 MW: 424.53 Approved
LogP
2.44
HBA
7
HBD
4
TPSA
124.29 Ų
ATC Classification
C10AA03C10BA03C10BA11... (+2)
Drug Effect Type
reduces reactionenhances phosphorylationenhances degradationreduces degradation
15625077
reduces reactionupregulates expression
20884875

Drug 498 Aminopterin

InChIkey: TVZGACDUOSZQKY-LBPRGKRZSA-N MF: C19H20N8O5 MW: 440.41 Investigational
LogP
1.87
HBA
13
HBD
6
TPSA
219.33 Ų
Drug Effect Type
modulates activity
35435491

Drug 499 Carbendazim

InChIkey: TWFZGCMQGLPBSX-UHFFFAOYSA-N MF: C9H9N3O2 MW: 191.19 Investigational
LogP
1.81
HBA
4
HBD
2
TPSA
67.01 Ų
Drug Effect Type
modulates activity
35435491

Drug 500 Evodiamine

InChIkey: TXDUTHBFYKGSAH-SFHVURJKSA-N MF: C19H17N3O MW: 303.36
LogP
3.32
HBA
3
HBD
1
TPSA
39.34 Ų
Drug Effect Type
reduces reactionupregulates expression
32057900

Drug 501 Necrostatin-1

InChIkey: TXUWMXQFNYDOEZ-UHFFFAOYSA-N MF: C13H13N3OS MW: 259.33
LogP
1.69
HBA
4
HBD
2
TPSA
80.22 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
25939952

Drug 502 Genistein

InChIkey: TZBJGXHYKVUXJN-UHFFFAOYSA-N MF: C15H10O5 MW: 270.24 Investigational
LogP
2.58
HBA
5
HBD
3
TPSA
90.90 Ų
Drug Effect Type
modulates reactionupregulates expressionenhances phosphorylation
15177039
upregulates expressionenhances reaction
15896711
upregulates expression
19800779
upregulates expressionmodulates cotreatment
22626855
reduces reactionupregulates expressionenhances response to substanceenhances reactionenhances acetylation
26768552

Drug 503 Mg-132

InChIkey: TZYWCYJVHRLUCT-VABKMULXSA-N MF: C26H41N3O5 MW: 475.62
LogP
4.76
HBA
8
HBD
3
TPSA
113.60 Ų
Drug Effect Type
upregulates expression
10837373
reduces reactionmodulates cotreatmentdownregulates expression
18951928
reduces reactionenhances degradation
19699254
reduces reactionmodulates cotreatmentdownregulates expression
20530418
reduces reactionenhances degradation
21454520
upregulates expressionreduces degradation
27129209
reduces reactiondownregulates expression
27993609
upregulates expression
31806706
upregulates expression
35821281

Drug 504 Diallyl trisulfide

InChIkey: UBAXRAHSPKWNCX-UHFFFAOYSA-N MF: C6H10S3 MW: 178.34
LogP
3.39
HBA
3
TPSA
75.90 Ų
Drug Effect Type
modulates localizationupregulates expression
19823037
upregulates expression
23754639
modulates localization
24415872
upregulates expression
28571773

Drug 505 Tetrachlorvinphos

InChIkey: UBCKGWBNUIFUST-YHYXMXQVSA-N MF: C10H9Cl4O4P MW: 365.96
LogP
5.60
HBA
4
TPSA
54.57 Ų
Drug Effect Type
modulates activity
35435491

Drug 506 Bosutinib

InChIkey: UBPYILGKFZZVDX-UHFFFAOYSA-N MF: C26H29Cl2N5O3 MW: 530.45 Approved
LogP
5.14
HBA
7
HBD
1
TPSA
82.88 Ų
ATC Classification
L01EA04
Drug Effect Type
modulates activity
35435491

Drug 507 Deferoxamine

InChIkey: UBQYURCVBFRUQT-UHFFFAOYSA-N MF: C25H48N6O8 MW: 560.68 Approved
LogP
2.40
HBA
14
HBD
6
TPSA
205.84 Ų
ATC Classification
V03AC01
Drug Effect Type
reduces reactionupregulates expression
10942736
reduces response to substance
16527254
upregulates expression
23483119
modulates reactionupregulates expression
34126102
downregulates expression
38483099

Drug 508 Topotecan

InChIkey: UCFGDBYHRUNTLO-QHCPKHFHSA-N MF: C23H23N3O5 MW: 421.45 Approved
LogP
1.85
HBA
8
HBD
2
TPSA
104.89 Ų
ATC Classification
L01CE01
Drug Effect Type
enhances activityupregulates expression
12698201
upregulates expression
20038611
upregulates expressionmodulates cotreatment
23376119
reduces reactionmodulates bindingupregulates expressionenhances reactionmodulates cotreatmentdownregulates expressionenhances phosphorylationenhances cleavage
25667043
enhances activity
30818834
modulates activity
35435491

Drug 509 P,p'-dde

InChIkey: UCNVFOCBFJOQAL-UHFFFAOYSA-N MF: C14H8Cl4 MW: 318.03
LogP
6.19
Drug Effect Type
enhances activity
27589886

Drug 510 Eurycomanone

InChIkey: UCUWZJWAQQRCOR-OKNZMGBLSA-N MF: C20H24O9 MW: 408.40
LogP
-1.83
HBA
9
HBD
5
TPSA
153.75 Ų
Drug Effect Type
downregulates expression
21903368

Drug 511 Dracorhodin

InChIkey: UCZJPQIEFFTIEV-UHFFFAOYSA-N MF: C17H14O3 MW: 266.29
LogP
3.73
HBA
3
TPSA
39.44 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
15684474

Drug 512 Naphthalene

InChIkey: UFWIBTONFRDIAS-UHFFFAOYSA-N MF: C10H8 MW: 128.17
LogP
2.84
Drug Effect Type
modulates bindingupregulates expression
21732540

Drug 513 diethoxyphosphoryloxymethyl butanoate

InChIkey: UGIGKLCVADLBRB-UHFFFAOYSA-N MF: C9H19O6P MW: 254.22
LogP
2.48
HBA
6
TPSA
80.87 Ų
Drug Effect Type
enhances reactionenhances acetylation
16826403

Drug 514 Chloranil

InChIkey: UGNWTBMOAKPKBL-UHFFFAOYSA-N MF: C6Cl4O2 MW: 245.88
LogP
2.52
HBA
2
TPSA
34.14 Ų
Drug Effect Type
modulates reactionmodulates bindingupregulates expressionenhances response to substanceenhances reactiondownregulates expressionenhances phosphorylation
27989139

Drug 515 Cytarabine

InChIkey: UHDGCWIWMRVCDJ-CCXZUQQUSA-N MF: C9H13N3O5 MW: 243.22 Approved
LogP
-1.98
HBA
8
HBD
4
TPSA
130.83 Ų
ATC Classification
L01BC01L01XY01
Drug Effect Type
upregulates expressionmodulates cotreatment
9703875
upregulates expressionenhances phosphorylation
10200513
upregulates expression
12082016
upregulates expression
12781215
reduces reactionupregulates expressionenhances phosphorylation
17977830
enhances phosphorylation
19628630
enhances activity
22010212
upregulates expression
24675086
modulates activity
35435491

Drug 516 Benzene

InChIkey: UHOVQNZJYSORNB-UHFFFAOYSA-N MF: C6H6 MW: 78.11
LogP
1.69
Drug Effect Type
enhances phosphorylation
8076368

Drug 517 Nms-873

InChIkey: UJGTUKMAJVCBIS-UHFFFAOYSA-N MF: C27H28N4O3S2 MW: 520.67
LogP
6.74
HBA
8
TPSA
120.65 Ų
Drug Effect Type
upregulates expression
29693262

Drug 518 Crocidolite

InChIkey: ULEFFCDROVNTRO-UHFFFAOYSA-N MF: Fe2H16Mg3Na2O24Si8++++++++++++++ MW: 855.38
LogP
-12.91
HBA
24
HBD
16
TPSA
460.24 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
12676607
enhances phosphorylationenhances stability
20705543
downregulates expressionmodulates expression
21570478
downregulates expressionenhances phosphorylation
23634900

Drug 519 Thiourea

InChIkey: UMGDCJDMYOKAJW-UHFFFAOYSA-N MF: CH4N2S MW: 76.12
LogP
0.59
HBA
3
HBD
2
TPSA
84.13 Ų
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatment
29803612

Drug 520 Diethylnorspermine

InChIkey: UMJJGDUYVQCBMC-UHFFFAOYSA-N MF: C13H32N4 MW: 244.42 Investigational
LogP
2.12
HBA
4
HBD
4
TPSA
48.12 Ų
Drug Effect Type
reduces reactionenhances activityupregulates expressionenhances reactiondownregulates expressionenhances cleavage
15546879

Drug 521 Tungsten carbide

InChIkey: UONOETXJSWQNOL-UHFFFAOYSA-N MF: CW MW: 195.85
LogP
0.08
Drug Effect Type
upregulates expressionmodulates cotreatmentenhances stability
23052192

Drug 522 Tiratricol

InChIkey: UOWZUVNAGUAEQC-UHFFFAOYSA-N MF: C14H9I3O4 MW: 621.93 Investigational
LogP
4.63
HBA
4
HBD
2
TPSA
66.76 Ų
ATC Classification
D11AX08H03AA04
Drug Effect Type
modulates activity
35435491

Drug 523 Phip

InChIkey: UQVKZNNCIHJZLS-UHFFFAOYSA-N MF: C13H12N4 MW: 224.26 Investigational
LogP
2.80
HBA
4
HBD
1
TPSA
56.73 Ų
Drug Effect Type
upregulates expression
11425520
upregulates expression
15635149
upregulates expression
17156947
upregulates expression
23810796
enhances phosphorylation
32466334

Drug 524 Dexamethasone

InChIkey: UREBDLICKHMUKA-CXSFZGCWSA-N MF: C22H29FO5 MW: 392.46 Approved
LogP
1.90
HBA
5
HBD
3
TPSA
94.83 Ų
ATC Classification
A01AC02C05AA09D07AB19... (+13)
Drug Effect Type
reduces reactionmodulates bindingdownregulates expression
19037090
enhances activity
22010212

Drug 525 Teriflunomide

InChIkey: UTNUDOFZCWSZMS-YFHOEESVSA-N MF: C12H9F3N2O2 MW: 270.21 Approved
LogP
3.07
HBA
4
HBD
2
TPSA
73.12 Ų
ATC Classification
L04AA31
Drug Effect Type
upregulates expression
10076546

Drug 526 Peretinoin

InChIkey: UUBHZHZSIKRVIV-KCXSXWJSSA-N MF: C20H30O2 MW: 302.45 Investigational
LogP
5.99
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
upregulates expressionenhances reaction
15475462

Drug 527 Fumonisin b1

InChIkey: UVBUBMSSQKOIBE-DSLOAKGESA-N MF: C34H59NO15 MW: 721.83
LogP
3.26
HBA
16
HBD
8
TPSA
288.51 Ų
Drug Effect Type
reduces phosphorylationreduces chemical synthesis
25195822

Drug 528 Irinotecan

InChIkey: UWKQSNNFCGGAFS-XIFFEERXSA-N MF: C33H38N4O6 MW: 586.68 Approved
LogP
3.97
HBA
10
HBD
1
TPSA
114.20 Ų
ATC Classification
L01CE02
Drug Effect Type
reduces reactionenhances phosphorylation
16204068
modulates cotreatmentmodulates response to substanceenhances ubiquitination
16373703
enhances activityupregulates expressionenhances phosphorylationmodulates response to substance
16963839
upregulates expressionenhances phosphorylation
22510560
upregulates expressionenhances phosphorylation
22898888
modulates activity
35435491

Drug 529 Sirtinol

InChIkey: UXJFDYIHRJGPFS-UHFFFAOYSA-N MF: C26H22N2O2 MW: 394.47
LogP
6.18
HBA
4
HBD
2
TPSA
61.69 Ų
Drug Effect Type
upregulates expressionenhances reactionenhances phosphorylation
18298901
enhances reactionreduces activityenhances acetylation
18681908
upregulates expressionenhances reaction
23881456

Drug 530 Tempol

InChIkey: UZFMOKQJFYMBGY-UHFFFAOYSA-N MF: C9H18NO2 MW: 172.24 Investigational
LogP
1.28
HBA
3
HBD
1
TPSA
23.47 Ų
Drug Effect Type
upregulates expression
15601469

Drug 531 Naloxone

InChIkey: UZHSEJADLWPNLE-GRGSLBFTSA-N MF: C19H21NO4 MW: 327.37 Approved
LogP
1.24
HBA
5
HBD
2
TPSA
70.00 Ų
ATC Classification
A06AH04N02AA53N02AA55... (+2)
Drug Effect Type
reduces reactionupregulates expression
12927789
reduces reactionenhances phosphorylation
19397953

Drug 532 Diazoxon

InChIkey: VBLJFQYCTRKKKF-UHFFFAOYSA-N MF: C12H21N2O4P MW: 288.28
LogP
3.47
HBA
6
TPSA
80.35 Ų
Drug Effect Type
modulates activity
35435491

Drug 533 Carbophenothion

InChIkey: VEDTXTNSFWUXGQ-UHFFFAOYSA-N MF: C11H16ClO2PS3 MW: 342.87
LogP
6.07
HBA
5
TPSA
110.96 Ų
Drug Effect Type
modulates activity
35435491

Drug 534 Dicrotophos

InChIkey: VEENJGZXVHKXNB-VOTSOKGWSA-N MF: C8H16NO5P MW: 237.19
LogP
1.40
HBA
6
TPSA
74.88 Ų
Drug Effect Type
modulates activity
35435491

Drug 535 Nimustine

InChIkey: VFEDRRNHLBGPNN-UHFFFAOYSA-N MF: C9H13ClN6O2 MW: 272.69 Investigational
LogP
1.77
HBA
8
HBD
2
TPSA
113.57 Ų
ATC Classification
L01AD06
Drug Effect Type
modulates response to substance
15182437

Drug 536 Curcumin

InChIkey: VFLDPWHFBUODDF-FCXRPNKRSA-N MF: C21H20O6 MW: 368.38 Approved
LogP
3.37
HBA
6
HBD
2
TPSA
93.06 Ų
Drug Effect Type
modulates expression
17041101
modulates localizationenhances phosphorylationenhances acetylation
17332930
reduces reactionenhances phosphorylation
19020741
upregulates expression
19944674
modulates cotreatmentenhances phosphorylation
21134073
reduces reactionupregulates expressiondownregulates expression
23222814
modulates expression
24211270
reduces reactionenhances activityenhances phosphorylation
24664296
reduces reactionupregulates expression
24831732
upregulates expression
25256401
upregulates expressionmodulates cotreatment
27430728
modulates cotreatmentdownregulates expression
30935902
upregulates expressionmodulates cotreatment
36352148

Drug 537 Alpha-naphthoflavone

InChIkey: VFMMPHCGEFXGIP-UHFFFAOYSA-N MF: C19H12O2 MW: 272.30 Experimental
LogP
4.61
HBA
2
TPSA
30.21 Ų
Drug Effect Type
upregulates expression
29274324
reduces reactionupregulates expressionenhances metabolic processing
32553695

Drug 538 3,3'-diindolylmethane

InChIkey: VFTRKSBEFQDZKX-UHFFFAOYSA-N MF: C17H14N2 MW: 246.31 Investigational
LogP
4.24
HBD
2
TPSA
31.58 Ų
Drug Effect Type
reduces reactionenhances activityupregulates expressionenhances phosphorylation
22290291

Drug 539 Phloretin

InChIkey: VGEREEWJJVICBM-UHFFFAOYSA-N MF: C15H14O5 MW: 274.27 Experimental
LogP
2.32
HBA
5
HBD
4
TPSA
97.99 Ų
Drug Effect Type
modulates bindingupregulates expression
34896434

Drug 540 Chlorophenols

InChIkey: VGVRPFIJEJYOFN-UHFFFAOYSA-N MF: C6H2Cl4O MW: 231.89
LogP
4.01
HBA
1
HBD
1
TPSA
20.23 Ų
Drug Effect Type
modulates activity
35435491

Drug 541 Amiprofos-methyl

InChIkey: VHEWQRWLIDWRMR-UHFFFAOYSA-N MF: C11H17N2O4PS MW: 304.30
LogP
4.72
HBA
4
HBD
1
TPSA
118.21 Ų
Drug Effect Type
modulates activity
35435491

Drug 542 Rubitecan

InChIkey: VHXNKPBCCMUMSW-FQEVSTJZSA-N MF: C20H15N3O6 MW: 393.35 Investigational
LogP
2.51
HBA
6
HBD
1
TPSA
127.24 Ų
Drug Effect Type
reduces reactionupregulates expression
21695227

Drug 543 Norethindrone

InChIkey: VIKNJXKGJWUCNN-XGXHKTLJSA-N MF: C20H26O2 MW: 298.42 Approved
LogP
3.49
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
G03AA05G03AB04G03AC01... (+4)
Drug Effect Type
enhances activityupregulates expression
15905198

Drug 544 Triethylenetetramine

InChIkey: VILCJCGEZXAXTO-UHFFFAOYSA-N MF: C6H18N4 MW: 146.23 Approved
LogP
0.27
HBA
4
HBD
4
TPSA
76.10 Ų
ATC Classification
A16AX12
Drug Effect Type
enhances reactionenhances phosphorylation
11369509
enhances activityupregulates expression
14513838

Drug 545 Etoposide

InChIkey: VJJPUSNTGOMMGY-MRVIYFEKSA-N MF: C29H32O13 MW: 588.56 Approved
LogP
1.34
HBA
13
HBD
3
TPSA
160.83 Ų
ATC Classification
L01CB01
Drug Effect Type
modulates cotreatmentdownregulates expression
9815696
modulates bindingupregulates expressionenhances reaction
11895857
upregulates expression
12082016
upregulates expression
15131059
modulates bindingenhances reaction
15964798
enhances activityupregulates expression
16120219
reduces reactionenhances activityenhances phosphorylation
16882877
modulates reactionmodulates response to substance
18698031
reduces reactionupregulates expression
19751709
reduces reactionenhances activityenhances phosphorylationenhances acetylation
20299546
reduces reactionenhances response to substance
20623183
enhances activity
20655369
upregulates expression
21212465
enhances response to substance
21552291
enhances phosphorylation
21801448
enhances activity
22010212
reduces reactionenhances phosphorylation
23144690
modulates reactionupregulates expression
23396362
enhances activityenhances phosphorylation
25078064
upregulates expressionenhances reactionenhances acetylation
25699604
modulates reactionenhances phosphorylation
25744307
modulates localizationenhances phosphorylation
26259609
reduces reactionmodulates reactionupregulates expressiondownregulates expressionenhances acetylation
27129209
upregulates expression
27358234
modulates reactionupregulates expression
27982581
upregulates expressionenhances response to substanceenhances reactionenhances chemical synthesisreduces chemical synthesis
29471073
upregulates expressionenhances reactiondownregulates expression
30177839
enhances activity
30818834
upregulates expression
31542801
modulates activity
35435491
reduces reactionupregulates expression
37956312

Drug 546 Diamide

InChIkey: VLSDXINSOMDCBK-BQYQJAHWSA-N MF: C6H12N4O2 MW: 172.19
LogP
0.80
HBA
6
TPSA
65.34 Ų
Drug Effect Type
enhances glutathionylation
17555331

Drug 547 Clotrimazole

InChIkey: VNFPBHJOKIVQEB-UHFFFAOYSA-N MF: C22H17ClN2 MW: 344.84 Approved
LogP
5.38
HBA
2
TPSA
17.82 Ų
ATC Classification
A01AB18D01AC01G01AF02... (+1)
Drug Effect Type
upregulates expression
10223459

Drug 548 Dioscin

InChIkey: VNONINPVFQTJOC-ZGXDEBHDSA-N MF: C45H72O16 MW: 869.04
LogP
1.24
HBA
16
HBD
8
TPSA
235.68 Ų
Drug Effect Type
upregulates expression
29990575

Drug 549 Budesonide

InChIkey: VOVIALXJUBGFJZ-KWVAZRHASA-N MF: C25H34O6 MW: 430.53 Approved
LogP
2.72
HBA
6
HBD
2
TPSA
93.06 Ų
ATC Classification
A07EA06D07AC09R01AD05... (+4)
Drug Effect Type
downregulates expression
15475437

Drug 550 Estradiol

InChIkey: VOXZDWNPVJITMN-ZBRFXRBCSA-N MF: C18H24O2 MW: 272.38 Approved
LogP
3.61
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
G02BB01G03AA14G03AA17... (+37)
Drug Effect Type
reduces reactionmodulates localizationreduces activity
15870704
enhances activitymodulates localizationupregulates expression
16053526
upregulates expressionmodulates cotreatment
17622325
upregulates expressionmodulates cotreatment
18174961
upregulates expression
19647730
reduces reactionmodulates binding
22113133
upregulates expressionmodulates cotreatment
22534328
upregulates expression
24481588
modulates reactionmodulates localizationupregulates expressionenhances reaction
24954032
reduces reactionupregulates expression
31681507

Drug 551 bis(4-hydroxyphenyl)sulfone

InChIkey: VPWNQTHUCYMVMZ-UHFFFAOYSA-N MF: C12H10O4S MW: 250.27
LogP
3.01
HBA
4
HBD
2
TPSA
82.98 Ų
Drug Effect Type
upregulates expression
36565802

Drug 552 Metoprine

InChIkey: VQJHOPSWBGJHQS-UHFFFAOYSA-N MF: C11H10Cl2N4 MW: 269.13 Experimental
LogP
4.09
HBA
4
HBD
2
TPSA
77.82 Ų
Drug Effect Type
modulates activity
35435491

Drug 553 Tryptanthrin

InChIkey: VQQVWGVXDIPORV-UHFFFAOYSA-N MF: C15H8N2O2 MW: 248.24
LogP
1.93
HBA
4
TPSA
51.96 Ų
Drug Effect Type
downregulates expressionenhances degradation
17482571

Drug 554 Deoxyglucose

InChIkey: VRYALKFFQXWPIH-PBXRRBTRSA-N MF: C6H12O5 MW: 164.16 Investigational
LogP
-2.35
HBA
5
HBD
4
TPSA
97.99 Ų
Drug Effect Type
reduces reactiondownregulates abundance
21042727

Drug 555 Aluminum chloride

InChIkey: VSCWAEJMTAWNJL-UHFFFAOYSA-K MF: AlCl3 MW: 133.34 Approved
LogP
2.07
ATC Classification
D10AX01
Drug Effect Type
upregulates expression
36154299

Drug 556 Camptothecin

InChIkey: VSJKWCGYPAHWDS-FQEVSTJZSA-N MF: C20H16N2O4 MW: 348.35 Experimental
LogP
2.08
HBA
6
HBD
1
TPSA
81.42 Ų
Drug Effect Type
upregulates expressionenhances response to substance
9673414
reduces response to substance
10692111
enhances activityupregulates expressionenhances phosphorylationenhances stability
11741290
upregulates expression
12082016
reduces reactionupregulates expressionenhances phosphorylationenhances glutathionylation
17555331
upregulates expressionenhances reaction
19481069
upregulates expression
20978201
enhances response to substance
23285096
reduces reactionupregulates expressionmodulates cotreatmentreduces acetylationenhances acetylation
24726431
reduces response to substance
25269479
enhances phosphorylation
26657896

Drug 557 Hydroxyurea

InChIkey: VSNHCAURESNICA-UHFFFAOYSA-N MF: CH4N2O2 MW: 76.05 Approved
LogP
0.14
HBA
4
HBD
3
TPSA
75.35 Ų
ATC Classification
L01XX05
Drug Effect Type
upregulates expression
10978678
upregulates expression
16005713
upregulates expression
21840268
upregulates expression
25125662
enhances phosphorylation
32466334

Drug 558 Trifluridine

InChIkey: VSQQQLOSPVPRAZ-RRKCRQDMSA-N MF: C10H11F3N2O5 MW: 296.20 Approved
LogP
-0.80
HBA
6
HBD
3
TPSA
104.55 Ų
ATC Classification
L01BC59S01AD02
Drug Effect Type
modulates activity
35435491

Drug 559 Carboplatin

InChIkey: VSRXQHXAPYXROS-UHFFFAOYSA-N MF: C6H12N2O4Pt MW: 371.25
LogP
1.76
HBA
4
HBD
4
TPSA
126.64 Ų
Drug Effect Type
upregulates expression
9664115
upregulates expression
15131059
upregulates expressionmodulates cotreatment
33002289

Drug 560 Pyrrolidine-1-carbodithioic acid

InChIkey: VSWDORGPIHIGNW-UHFFFAOYSA-N MF: C5H9NS2 MW: 147.26
LogP
1.23
HBA
3
HBD
1
TPSA
74.13 Ų
Drug Effect Type
reduces reactionupregulates expressionupregulates abundanceenhances oxidation
11964141

Drug 561 D-penicillamine

InChIkey: VVNCNSJFMMFHPL-VKHMYHEASA-N MF: C5H11NO2S MW: 149.21 Approved
LogP
0.81
HBA
4
HBD
3
TPSA
102.12 Ų
ATC Classification
M01CC01
Drug Effect Type
upregulates expression
22843330

Drug 562 Tetrathiomolybdate

InChIkey: VVRHUOPINLMZBL-UHFFFAOYSA-L MF: H2MoS4-- MW: 226.24 Investigational
LogP
0.76
HBA
4
HBD
2
TPSA
141.78 Ų
Drug Effect Type
enhances phosphorylation
37290678

Drug 563 Cidofovir

InChIkey: VWFCHDSQECPREK-LURJTMIESA-N MF: C8H14N3O6P MW: 279.19 Approved
LogP
-1.08
HBA
9
HBD
4
TPSA
157.71 Ų
ATC Classification
J05AB12
Drug Effect Type
upregulates expression
11697818
modulates activity
25596134

Drug 564 Fulvestrant

InChIkey: VWUXBMIQPBEWFH-WCCTWKNTSA-N MF: C32H47F5O3S MW: 606.77 Approved
LogP
9.55
HBA
3
HBD
2
TPSA
76.74 Ų
ATC Classification
L02BA03
Drug Effect Type
reduces reactionmodulates localization
15870704
downregulates expression
24169358
reduces reactionenhances phosphorylation
29383186

Drug 565 Dopamine

InChIkey: VYFYYTLLBUKUHU-UHFFFAOYSA-N MF: C8H11NO2 MW: 153.18 Approved
LogP
1.30
HBA
3
HBD
3
TPSA
66.48 Ų
ATC Classification
C01CA04
Drug Effect Type
upregulates expressionenhances phosphorylation
19410601

Drug 566 Silicon dioxide

InChIkey: VYPSYNLAJGMNEJ-UHFFFAOYSA-N MF: O2Si MW: 60.08 Approved
LogP
-0.62
HBA
2
TPSA
34.14 Ų
Drug Effect Type
upregulates expression
20060462
upregulates expression
21766316
reduces reactionupregulates expression
22245848
reduces reactionmodulates bindingmodulates localizationenhances reactionenhances phosphorylationenhances acetylation
31082419
upregulates expressionmodulates cotreatmentdownregulates expression
35288261
reduces reactionenhances reactiondownregulates expression
35499148

Drug 567 Monobenzone

InChIkey: VYQNWZOUAUKGHI-UHFFFAOYSA-N MF: C13H12O2 MW: 200.23 Approved
LogP
2.97
HBA
2
HBD
1
TPSA
29.46 Ų
ATC Classification
D11AX13
Drug Effect Type
modulates activity
35435491

Drug 568 Chromium

InChIkey: VYZAMTAEIAYCRO-UHFFFAOYSA-N MF: Cr MW: 52.00 Approved
LogP
0.00
Drug Effect Type
modulates reactionupregulates expression
18024214
enhances activitymodulates bindingenhances reactionenhances stability
18602874

Drug 569 Methylnitronitrosoguanidine

InChIkey: VZUNGTLZRAYYDE-UHFFFAOYSA-N MF: C2H5N5O3 MW: 147.09
LogP
0.33
HBA
5
HBD
2
TPSA
114.37 Ų
Drug Effect Type
enhances response to substancereduces response to substance
15589979
reduces reactionmodulates binding
26025680
reduces reactionupregulates expressionenhances reaction
26921499

Drug 570 Lead

InChIkey: WABPQHHGFIMREM-UHFFFAOYSA-N MF: Pb MW: 207.20
LogP
-0.38
Drug Effect Type
upregulates expressionmodulates cotreatment
22610977
upregulates expression
32976933

Drug 571 Homocastasterone

InChIkey: WADMTJKRYLAHQV-NKOPCKDMSA-N MF: C29H50O5 MW: 478.70
LogP
4.20
HBA
5
HBD
4
TPSA
97.99 Ų
Drug Effect Type
upregulates expression
20833159

Drug 572 Vorinostat

InChIkey: WAEXFXRVDQXREF-UHFFFAOYSA-N MF: C14H20N2O3 MW: 264.32 Approved
LogP
2.94
HBA
5
HBD
3
TPSA
78.43 Ų
ATC Classification
L01XH01
Drug Effect Type
upregulates expressionmodulates cotreatment
17351739
enhances acetylation
19084294
modulates bindingenhances reaction
19631782
enhances reactionenhances acetylation
19810103
reduces reactionenhances acetylation
21532991
enhances activity
30818834

Drug 573 PCB 180

InChIkey: WBHQEUPUMONIKF-UHFFFAOYSA-N MF: C12H3Cl7 MW: 395.32
LogP
7.93
Drug Effect Type
upregulates expressionenhances reaction
19751709

Drug 574 N-nitrosodiethylamine

InChIkey: WBNQDOYYEUMPFS-UHFFFAOYSA-N MF: C4H10N2O MW: 102.14
LogP
1.01
HBA
3
TPSA
32.67 Ų
Drug Effect Type
upregulates expression
21776270
modulates localizationenhances metabolic processing
35882637

Drug 575 Pemetrexed

InChIkey: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N MF: C20H21N5O6 MW: 427.41 Approved
LogP
1.64
HBA
9
HBD
6
TPSA
191.26 Ų
ATC Classification
L01BA04
Drug Effect Type
modulates reactionupregulates expression
15161716
modulates response to substance
17339891

Drug 576 Clofarabine

InChIkey: WDDPHFBMKLOVOX-AYQXTPAHSA-N MF: C10H11ClFN5O3 MW: 303.68 Approved
LogP
0.23
HBA
8
HBD
3
TPSA
119.31 Ų
ATC Classification
L01BB06
Drug Effect Type
enhances activitymodulates localizationupregulates expressionmodulates cotreatmentmodulates response to substance
24239893
modulates activity
35435491

Drug 577 RTKI cpd

InChIkey: WDJDYIUSDDVWKB-UHFFFAOYSA-N MF: C16H15Cl2N3O2 MW: 352.22
LogP
4.92
HBA
4
HBD
2
TPSA
56.27 Ų
Drug Effect Type
reduces reactionupregulates expression
15734884

Drug 578 Digitoxin

InChIkey: WDJUZGPOPHTGOT-XUDUSOBPSA-N MF: C41H64O13 MW: 764.94 Approved
LogP
3.25
HBA
13
HBD
5
TPSA
182.83 Ų
ATC Classification
C01AA04
Drug Effect Type
downregulates expression
22037315

Drug 579 Triphenylstannylium acetate

InChIkey: WDQNIWFZKXZFAY-UHFFFAOYSA-M MF: C20H18O2Sn MW: 409.06
LogP
2.22
HBA
2
TPSA
26.30 Ų
Drug Effect Type
modulates activity
35435491

Drug 580 E-guggulsterone

InChIkey: WDXRGPWQVHZTQJ-AUKWTSKRSA-N MF: C21H28O2 MW: 312.45
LogP
4.64
HBA
2
TPSA
34.14 Ų
Drug Effect Type
reduces reactionmodulates reactionupregulates expression
35123992

Drug 581 Tegafur

InChIkey: WFWLQNSHRPWKFK-UHFFFAOYSA-N MF: C8H9FN2O3 MW: 200.17 Approved
LogP
-0.02
HBA
4
HBD
1
TPSA
64.09 Ų
ATC Classification
L01BC03L01BC53
Drug Effect Type
modulates cotreatmentmodulates response to substance
15182437

Drug 582 3-Hydroxybutyric Acid

InChIkey: WHBMMWSBFZVSSR-UHFFFAOYSA-N MF: C4H8O3 MW: 104.10
LogP
-0.16
HBA
3
HBD
2
TPSA
57.53 Ų
Drug Effect Type
reduces reactionenhances acetylation
25440059

Drug 583 N-vinyl-2-pyrrolidone

InChIkey: WHNWPMSKXPGLAX-UHFFFAOYSA-N MF: C6H9NO MW: 111.14
LogP
0.69
HBA
2
TPSA
20.31 Ų
Drug Effect Type
modulates cotreatmentdownregulates expressionmodulates phosphorylation
27387714

Drug 584 Chloroquine

InChIkey: WHTVZRBIWZFKQO-UHFFFAOYSA-N MF: C18H26ClN3 MW: 319.87 Approved
LogP
4.88
HBA
3
HBD
1
TPSA
28.16 Ų
ATC Classification
P01BA01P01BB52
Drug Effect Type
enhances activity
12082016
reduces reactionupregulates expression
22927544

Drug 585 Simendan

InChIkey: WHXMKTBCFHIYNQ-UHFFFAOYSA-N MF: C14H12N6O MW: 280.28 Investigational
LogP
1.20
HBA
7
HBD
2
TPSA
113.43 Ų
Drug Effect Type
modulates activity
35435491

Drug 586 Lithium

InChIkey: WHXSMMKQMYFTQS-UHFFFAOYSA-N MF: Li MW: 6.94
LogP
0.00
Drug Effect Type
reduces reactionmodulates binding
15475000
reduces reactionmodulates localizationupregulates expression
17849503

Drug 587 EGCG

InChIkey: WMBWREPUVVBILR-WIYYLYMNSA-N MF: C22H18O11 MW: 458.37 Investigational
LogP
2.23
HBA
11
HBD
8
TPSA
197.37 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
15657356
enhances activityupregulates expressionenhances response to substanceenhances phosphorylation
15764647
reduces reactionenhances activityenhances phosphorylation
15795422
upregulates expressionenhances phosphorylation
19406223
enhances response to substance
23285096
upregulates expression
26341291
upregulates expression
32512070
modulates reactionmodulates expression
35218280

Drug 588 Adefovir dipivoxil

InChIkey: WOZSCQDILHKSGG-UHFFFAOYSA-N MF: C20H32N5O8P MW: 501.47 Approved
LogP
3.28
HBA
13
HBD
1
TPSA
176.79 Ų
ATC Classification
J05AF08
Drug Effect Type
modulates activity
25596134
modulates activity
35435491

Drug 589 Pyrogallol

InChIkey: WQGWDDDVZFFDIG-UHFFFAOYSA-N MF: C6H6O3 MW: 126.11
LogP
0.80
HBA
3
HBD
3
TPSA
60.69 Ų
Drug Effect Type
reduces reactionupregulates expression
20191265

Drug 590 D-glucopyranose

InChIkey: WQZGKKKJIJFFOK-GASJEMHNSA-N MF: C6H12O6 MW: 180.16
LogP
-3.22
HBA
6
HBD
5
TPSA
110.38 Ų
Drug Effect Type
reduces reactionenhances reactionenhances acetylation
20068143
reduces reactionupregulates expressionenhances uptake
21548882
reduces reactionmodulates localization
24218232
reduces reactionmodulates cotreatmentenhances acetylation
24451382
reduces reactionupregulates expressionmodulates cotreatment
26188290
reduces reactionupregulates expression
35264022
reduces reactionupregulates expression
38000455
upregulates expression
38483099

Drug 591 D-galactopyranose

InChIkey: WQZGKKKJIJFFOK-SVZMEOIVSA-N MF: C6H12O6 MW: 180.16
LogP
-3.22
HBA
6
HBD
5
TPSA
110.38 Ų
Drug Effect Type
reduces reactionupregulates expression
23036742
upregulates expression
29426000

Drug 592 Glucoside

InChIkey: WQZGKKKJIJFFOK-VFUOTHLCSA-N MF: C6H12O6 MW: 180.16 Experimental
LogP
-3.22
HBA
6
HBD
5
TPSA
110.38 Ų
Drug Effect Type
reduces reactionupregulates expression
33422634

Drug 593 Zalcitabine

InChIkey: WREGKURFCTUGRC-POYBYMJQSA-N MF: C9H13N3O3 MW: 211.22 Approved
LogP
0.08
HBA
6
HBD
2
TPSA
90.37 Ų
ATC Classification
J05AF03

Drug 594 Formaldehyde

InChIkey: WSFSSNUMVMOOMR-UHFFFAOYSA-N MF: CH2O MW: 30.03 Approved
LogP
0.45
HBA
1
TPSA
17.07 Ų
Drug Effect Type
upregulates expression
15715472
upregulates expression
22525295
downregulates expression
26400731

Drug 595 Iodopropynyl butylcarbamate

InChIkey: WYVVKGNFXHOCQV-UHFFFAOYSA-N MF: C8H12INO2 MW: 281.09 Experimental
LogP
2.30
HBA
3
HBD
1
TPSA
38.33 Ų
Drug Effect Type
modulates activity
35435491

Drug 596 Thioguanine (6-TG)

InChIkey: WYWHKKSPHMUBEB-UHFFFAOYSA-N MF: C5H5N5S MW: 167.19 Approved
LogP
1.18
HBA
4
HBD
3
TPSA
115.47 Ų
ATC Classification
L01BB03
Drug Effect Type
enhances activity
22010212

Drug 597 Decitabine

InChIkey: XAUDJQYHKZQPEU-KVQBGUIXSA-N MF: C8H12N4O4 MW: 228.21 Approved
LogP
-1.56
HBA
8
HBD
3
TPSA
123.49 Ų
ATC Classification
L01BC08
Drug Effect Type
modulates bindingupregulates expressionenhances reaction
14722112
upregulates expressionenhances reaction
15753979
upregulates expression
16025287
modulates reactionmodulates expression
17133271
enhances activitymodulates localizationupregulates expressionenhances localization
17389721
reduces reactionmodulates reactionmodulates bindingupregulates expressionenhances reactionenhances phosphorylationenhances acetylationreduces ubiquitination
17977830
modulates localization
17991895
modulates reactionupregulates expression
18223691
modulates reactionupregulates expressionmodulates methylation
18608210
enhances phosphorylation
18636160
modulates bindingupregulates expressionenhances reactionmodulates cotreatment
18992151
modulates reactionupregulates expression
19010910
modulates bindingmodulates localizationupregulates expressionenhances reaction
19037090
modulates reactiondownregulates expression
19363521
enhances phosphorylation
19732952
upregulates expressionmodulates cotreatment
22534328
upregulates expressionenhances stability
23300844
enhances activity
30818834
upregulates expression
36318118

Drug 598 Amsacrine

InChIkey: XCPGHVQEEXUHNC-UHFFFAOYSA-N MF: C21H19N3O3S MW: 393.46 Approved
LogP
5.74
HBA
5
HBD
2
TPSA
88.70 Ų
ATC Classification
L01XX01
Drug Effect Type
upregulates expression
11774253
enhances activity
12082016
enhances activityenhances stability
16177561
enhances glutathionylation
17555331

Drug 599 Pentamidine

InChIkey: XDRYMKDFEDOLFX-UHFFFAOYSA-N MF: C19H24N4O2 MW: 340.42 Approved
LogP
4.48
HBA
6
HBD
4
TPSA
118.20 Ų
ATC Classification
P01CX01
Drug Effect Type
reduces reactionenhances acetylation
20144237

Drug 600 Phenylmercuric acetate

InChIkey: XEBWQGVWTUSTLN-UHFFFAOYSA-M MF: C8H8HgO2 MW: 336.74 Investigational
LogP
0.87
HBA
2
TPSA
26.30 Ų
Drug Effect Type
modulates activity
35435491

Drug 601 Gefitinib

InChIkey: XGALLCVXEZPNRQ-UHFFFAOYSA-N MF: C22H24ClFN4O3 MW: 446.90 Approved
LogP
4.29
HBA
6
HBD
1
TPSA
68.74 Ų
ATC Classification
L01EB01
Drug Effect Type
enhances response to substancedownregulates expressionmodulates response to substance
21216229
reduces reactionenhances phosphorylation
29383186

Drug 602 Dorsomorphin

InChIkey: XHBVYDAKJHETMP-UHFFFAOYSA-N MF: C24H25N5O MW: 399.49 Experimental
LogP
4.26
HBA
6
TPSA
55.55 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
19020741
reduces reactionmodulates localizationupregulates expressionenhances response to substanceenhances phosphorylation
23274516

Drug 603 Fisetin

InChIkey: XHEFDIBZLJXQHF-UHFFFAOYSA-N MF: C15H10O6 MW: 286.24 Experimental
LogP
2.28
HBA
6
HBD
4
TPSA
111.13 Ų
Drug Effect Type
reduces reactionmodulates localizationupregulates expressionmodulates cotreatmentenhances phosphorylation
21216935

Drug 604 Dichlororibofuranosylbenzimidazole

InChIkey: XHSQDZXAVJRBMX-DDHJBXDOSA-N MF: C12H12Cl2N2O4 MW: 319.14 Experimental
LogP
0.95
HBA
6
HBD
3
TPSA
87.74 Ų
Drug Effect Type
enhances phosphorylation
24102143

Drug 605 Cephalothin

InChIkey: XIURVHNZVLADCM-IUODEOHRSA-N MF: C16H16N2O6S2 MW: 396.44 Approved
LogP
0.92
HBA
10
HBD
2
TPSA
166.55 Ų
ATC Classification
J01DB03
Drug Effect Type
upregulates expression
15012731

Drug 606 Codehydrase ii

InChIkey: XJLXINKUBYWONI-NNYOXOHSSA-N MF: C21H28N7O17P3 MW: 743.41 Experimental
LogP
-1.18
HBA
23
HBD
8
TPSA
397.05 Ų
Drug Effect Type
upregulates expressionenhances reaction
10942736

Drug 607 Dihydrocapsaicin

InChIkey: XJQPQKLURWNAAH-UHFFFAOYSA-N MF: C18H29NO3 MW: 307.43
LogP
4.40
HBA
4
HBD
2
TPSA
58.56 Ų
Drug Effect Type
enhances phosphorylation
19139269

Drug 608 Fec protocol

InChIkey: XJXNQKUJADHQNU-KHLQKBODSA-N MF: C38H47Cl2FN5O15P MW: 934.68
LogP
2.12
HBA
18
HBD
9
TPSA
323.17 Ų
Drug Effect Type
modulates cotreatmentdownregulates expression
16507397

Drug 609 Terbufos

InChIkey: XLNZEKHULJKQBA-UHFFFAOYSA-N MF: C9H21O2PS3 MW: 288.43
LogP
5.16
HBA
5
TPSA
110.96 Ų
Drug Effect Type
modulates activity
35435491

Drug 610 Supertah

InChIkey: XLOMVQKBTHCTTD-UHFFFAOYSA-N MF: OZn MW: 81.38 Approved
LogP
-0.12
HBA
1
TPSA
17.07 Ų
ATC Classification
C05AX04
Drug Effect Type
upregulates expressionenhances phosphorylation
21903158

Drug 611 Wogonin

InChIkey: XLTFNNCXVBYBSX-UHFFFAOYSA-N MF: C16H12O5 MW: 284.26
LogP
2.88
HBA
5
HBD
2
TPSA
79.90 Ų
Drug Effect Type
upregulates expression
21457722

Drug 612 Limonene

InChIkey: XMGQYMWWDOXHJM-UHFFFAOYSA-N MF: C10H16 MW: 136.23
LogP
3.31
Drug Effect Type
upregulates expression
12921557

Drug 613 Buckminsterfullerene

InChIkey: XMWRBQBLMFGWIX-UHFFFAOYSA-N MF: C60 MW: 720.64
LogP
17.73
Drug Effect Type
upregulates expressionenhances phosphorylation
20045429

Drug 614 Potassium chromate

InChIkey: XMXNVYPJWBTAHN-UHFFFAOYSA-N MF: CrK2O4 MW: 194.19
LogP
-0.48
HBA
4
TPSA
80.26 Ų
Drug Effect Type
reduces reactionupregulates expression
25977998

Drug 615 S-nitrosocysteine

InChIkey: XOWVFANEOZMPKG-REOHCLBHSA-N MF: C3H6N2O3S MW: 150.16
LogP
0.51
HBA
5
HBD
2
TPSA
118.05 Ų
Drug Effect Type
reduces reactionreduces acetylation
24451382

Drug 616 Tetraarsenic tetrasulfide

InChIkey: XPDICGYEJXYUDW-UHFFFAOYSA-N MF: As4S4 MW: 427.95
LogP
1.07
HBA
4
TPSA
101.20 Ų
Drug Effect Type
upregulates expressionenhances reaction
26110921
upregulates expressionenhances reaction
26586936

Drug 617 Emtricitabine

InChIkey: XQSPYNMVSIKCOC-NTSWFWBYSA-N MF: C8H10FN3O3S MW: 247.25 Approved
LogP
0.13
HBA
7
HBD
2
TPSA
115.67 Ų
ATC Classification
J05AF09J05AR03J05AR06... (+7)
Drug Effect Type
upregulates expressionmodulates cotreatment
31545371

Drug 618 Zoledronic Acid

InChIkey: XRASPMIURGNCCH-UHFFFAOYSA-N MF: C5H10N2O7P2 MW: 272.09 Approved
LogP
-1.12
HBA
9
HBD
5
TPSA
172.73 Ų
ATC Classification
M05BA08M05BB08
Drug Effect Type
modulates cotreatmentdownregulates expression
20349282
modulates activity
25596134

Drug 619 Flucytosine (5-FC)

InChIkey: XRECTZIEBJDKEO-UHFFFAOYSA-N MF: C4H4FN3O MW: 129.09 Approved
LogP
0.07
HBA
3
HBD
2
TPSA
71.77 Ų
ATC Classification
D01AE21J02AX01
Drug Effect Type
upregulates expression
15592511

Drug 620 Ku-55933

InChIkey: XRKYMMUGXMWDAO-UHFFFAOYSA-N MF: C21H17NO3S2 MW: 395.49
LogP
4.82
HBA
6
TPSA
93.28 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
19111594
reduces reactionupregulates expressionenhances phosphorylation
19502594
reduces reactionupregulates expressionenhances phosphorylationreduces phosphorylation
22119920
reduces reactionenhances activityenhances phosphorylation
22226932
reduces reactionenhances phosphorylation
22627294
reduces reactionupregulates expression
22927544
reduces reactionenhances reactionenhances phosphorylation
24933654
reduces reactionupregulates expression
25977998
reduces reactionupregulates expression
26630137
reduces reactionupregulates expression
38311193

Drug 621 Trichloroethylene

InChIkey: XSTXAVWGXDQKEL-UHFFFAOYSA-N MF: C2HCl3 MW: 131.39 Approved
LogP
2.50
ATC Classification
N01AB05
Drug Effect Type
upregulates expression
12160929

Drug 622 Rivastigmine

InChIkey: XSVMFMHYUFZWBK-NSHDSACASA-N MF: C14H22N2O2 MW: 250.34 Approved
LogP
2.76
HBA
4
TPSA
32.78 Ų
ATC Classification
N06DA03
Drug Effect Type
modulates activity
35435491

Drug 623 Bisphenol f diglycidyl ether

InChIkey: XUCHXOAWJMEFLF-UHFFFAOYSA-N MF: C19H20O4 MW: 312.36
LogP
2.83
HBA
4
TPSA
43.52 Ų
Drug Effect Type
modulates activity
35435491

Drug 624 Atorvastatin

InChIkey: XUKUURHRXDUEBC-KAYWLYCHSA-N MF: C33H35FN2O5 MW: 558.64 Approved
LogP
6.39
HBA
7
HBD
4
TPSA
111.79 Ų
ATC Classification
C10AA05C10BA05C10BX03... (+6)
Drug Effect Type
upregulates expression
29630879

Drug 625 9-methoxycamptothecin

InChIkey: XVMZDZFTCKLZTF-NRFANRHFSA-N MF: C21H18N2O5 MW: 378.38
LogP
2.09
HBA
7
HBD
1
TPSA
90.65 Ų
Drug Effect Type
upregulates expression
23369935

Drug 626 Hydroxychloroquine

InChIkey: XXSMGPRMXLTPCZ-UHFFFAOYSA-N MF: C18H26ClN3O MW: 335.87 Approved
LogP
3.86
HBA
4
HBD
2
TPSA
48.39 Ų
ATC Classification
P01BA02
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatmentreduces localization
38311193

Drug 627 Amosite

InChIkey: XYCWOLUUHSNDRX-UHFFFAOYSA-L MF: Fe7H2O24Si8 MW: 1,001.60
LogP
-5.68
HBA
24
HBD
2
TPSA
438.66 Ų
Drug Effect Type
reduces reactionmodulates localizationupregulates expressionenhances response to substance
16357363

Drug 628 Dampp

InChIkey: XYHOHWPFEWJKOG-UHFFFAOYSA-N MF: C24H41ClN2O2 MW: 425.05
LogP
5.88
HBA
4
HBD
2
TPSA
41.57 Ų
Drug Effect Type
enhances phosphorylation
25195822

Drug 629 Metformin

InChIkey: XZWYZXLIPXDOLR-UHFFFAOYSA-N MF: C4H11N5 MW: 129.16 Approved
LogP
0.26
HBA
5
HBD
3
TPSA
91.49 Ų
ATC Classification
A10BA02A10BD02A10BD03... (+17)
Drug Effect Type
modulates cotreatmentdownregulates expression
29185360
upregulates expressionmodulates cotreatment
38479708

Drug 630 Fotemustine

InChIkey: YAKWPXVTIGTRJH-UHFFFAOYSA-N MF: C9H19ClN3O5P MW: 315.69
LogP
2.92
HBA
8
HBD
1
TPSA
107.11 Ų
Drug Effect Type
modulates bindingupregulates expressionenhances reaction
25125662

Drug 631 Rosiglitazone

InChIkey: YASAKCUCGLMORW-UHFFFAOYSA-N MF: C18H19N3O3S MW: 357.43 Approved
LogP
2.82
HBA
7
HBD
1
TPSA
96.83 Ų
ATC Classification
A10BD03A10BD04A10BG02
Drug Effect Type
downregulates expression
17018897
upregulates expression
17639046
reduces reactionupregulates expressionenhances reactiondownregulates expression
19139119
modulates activity
25596134

Drug 632 Berberine

InChIkey: YBHILYKTIRIUTE-UHFFFAOYSA-N MF: C20H18NO4+ MW: 336.36 Approved
LogP
3.10
HBA
4
TPSA
40.80 Ų
Drug Effect Type
upregulates expression
20656010
upregulates expressionmodulates cotreatmentenhances phosphorylationenhances acetylation
26712469

Drug 633 Pinosylvin

InChIkey: YCVPRTHEGLPYPB-VOTSOKGWSA-N MF: C14H12O2 MW: 212.24
LogP
3.27
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
upregulates expression
23333577

Drug 634 Nifuroxazide

InChIkey: YCWSUKQGVSGXJO-NTUHNPAUSA-N MF: C12H9N3O5 MW: 275.22 Experimental
LogP
2.57
HBA
5
HBD
2
TPSA
120.65 Ų
ATC Classification
A07AX03
Drug Effect Type
modulates activity
35435491

Drug 635 Pi-3065

InChIkey: YDNOHCOYQVZOMC-UHFFFAOYSA-N MF: C27H31FN6OS MW: 506.64
LogP
4.28
HBA
7
HBD
1
TPSA
88.76 Ų
Drug Effect Type
upregulates expression
36623716

Drug 636 Aloe-emodin

InChIkey: YDQWDHRMZQUTBA-UHFFFAOYSA-N MF: C15H10O5 MW: 270.24
LogP
1.37
HBA
5
HBD
3
TPSA
94.83 Ų
Drug Effect Type
upregulates expression
19928967

Drug 637 Pergolide

InChIkey: YEHCICAEULNIGD-MZMPZRCHSA-N MF: C19H26N2S MW: 314.49 Approved
LogP
4.21
HBA
2
HBD
1
TPSA
44.33 Ų
ATC Classification
N04BC02
Drug Effect Type
reduces reactionupregulates expression
15081873

Drug 638 Perfluorooctanesulfonic acid

InChIkey: YFSUTJLHUFNCNZ-UHFFFAOYSA-N MF: C8HF17O3S MW: 500.13
LogP
5.92
HBA
3
HBD
1
TPSA
62.75 Ų
Drug Effect Type
upregulates expression
24301089
downregulates expression
29063134
upregulates expression
32700164

Drug 639 Isocarbophos

InChIkey: YFVOXLJXJBQDEF-UHFFFAOYSA-N MF: C11H16NO4PS MW: 289.29
LogP
3.81
HBA
6
HBD
1
TPSA
112.68 Ų
Drug Effect Type
modulates activity
35435491

Drug 640 4-Nitroquinoline-1-oxide

InChIkey: YHQDZJICGQWFHK-UHFFFAOYSA-N MF: C9H6N2O3 MW: 190.16
LogP
2.70
HBA
1
TPSA
71.28 Ų
Drug Effect Type
upregulates expression
32087850

Drug 641 Capsaicin

InChIkey: YKPUWZUDDOIDPM-SOFGYWHQSA-N MF: C18H27NO3 MW: 305.41 Approved
LogP
4.18
HBA
4
HBD
2
TPSA
58.56 Ų
ATC Classification
M02AB01N01BX04
Drug Effect Type
reduces reactionenhances phosphorylation
14871840
upregulates expression
16540674
reduces reactionenhances activityupregulates expressionenhances reactionenhances phosphorylationreduces degradation
17292493
upregulates expression
18991268
upregulates expressionenhances phosphorylation
19139269
upregulates expression
19331147
reduces reactionupregulates expressionenhances phosphorylation
19502594
reduces reactionenhances reactionenhances degradation
19699254
upregulates expressionenhances reaction
19846903
upregulates expression
20646592
reduces reactionenhances activityupregulates expressionenhances phosphorylation
22226932

Drug 642 Cadmium chloride, dihydrate

InChIkey: YKYOUMDCQGMQQO-UHFFFAOYSA-L MF: CdCl2 MW: 183.32
LogP
1.38
Drug Effect Type
reduces reactionenhances activityupregulates expressionreduces activityreduces folding
10531375
upregulates expressionenhances phosphorylation
12676607
upregulates expressionenhances phosphorylationmodulates response to substance
17174997
modulates reactionmodulates phosphorylation
23941782
upregulates expression
25111876
modulates localizationupregulates expressionenhances phosphorylation
25118938
reduces activity
25446071
modulates activity
25596134
modulates reactionenhances phosphorylation
25744307
downregulates expressionupregulates abundanceenhances ubiquitination
33040242
modulates foldingupregulates abundance
35504338

Drug 643 Imatinib mesylate

InChIkey: YLMAHDNUQAMNNX-UHFFFAOYSA-N MF: C30H35N7O4S MW: 589.71
LogP
5.20
HBA
10
HBD
3
TPSA
149.03 Ų
Drug Effect Type
upregulates expression
33070465

Drug 644 Atranorin

InChIkey: YLOYKYXNDHOHHT-UHFFFAOYSA-N MF: C19H18O8 MW: 374.34
LogP
2.55
HBA
8
HBD
3
TPSA
130.36 Ų
Drug Effect Type
downregulates expression
22285236

Drug 645 Fenofibrate

InChIkey: YMTINGFKWWXKFG-UHFFFAOYSA-N MF: C20H21ClO4 MW: 360.83 Approved
LogP
4.68
HBA
4
TPSA
52.60 Ų
ATC Classification
C10AB05C10BA03C10BA04... (+2)
Drug Effect Type
modulates activity
25596134

Drug 646 Deta/no (also noc-18)

InChIkey: YNRCBOXEDICOIX-CLFYSBASSA-N MF: C4H13N5O2 MW: 163.18
LogP
0.40
HBA
6
HBD
3
TPSA
116.62 Ų
Drug Effect Type
enhances activityenhances phosphorylationreduces degradation
18424783

Drug 647 Cycloheximide

InChIkey: YPHMISFOHDHNIV-FSZOTQKASA-N MF: C15H23NO4 MW: 281.35
LogP
1.37
HBA
5
HBD
2
TPSA
83.47 Ų
Drug Effect Type
reduces reactionupregulates expression
15016801
downregulates expression
20943951
enhances reactiondownregulates expression
27993609
reduces reactionenhances degradation
31645432
downregulates expression
35821281

Drug 648 Navstel

InChIkey: YPZRWBKMTBYPTK-BJDJZHNGSA-N MF: C20H32N6O12S2 MW: 612.63 Approved
LogP
-0.91
HBA
20
HBD
10
TPSA
368.24 Ų
Drug Effect Type
enhances activityupregulates expressionenhances phosphorylation
15993333
reduces reactionenhances glutathionylation
17555331

Drug 649 Ketamine

InChIkey: YQEZLKZALYSWHR-UHFFFAOYSA-N MF: C13H16ClNO MW: 237.73 Approved
LogP
3.29
HBA
2
HBD
1
TPSA
29.10 Ų
ATC Classification
N01AX03
Drug Effect Type
upregulates expression
19919587

Drug 650 Tri-o-tolyl phosphate

InChIkey: YSMRWXYRXBRSND-UHFFFAOYSA-N MF: C21H21O4P MW: 368.36
LogP
6.26
HBA
4
TPSA
54.57 Ų
Drug Effect Type
modulates activity
35435491

Drug 651 EUK-134

InChIkey: YUZJJFWCXJDFOQ-UHFFFAOYSA-K MF: C18H18ClMnN2O4 MW: 416.74
LogP
0.53
HBA
6
TPSA
89.30 Ų
Drug Effect Type
reduces reactionupregulates expression
25005833

Drug 652 Cepharanthine

InChIkey: YVPXVXANRNDGTA-WDYNHAJCSA-N MF: C37H38N2O6 MW: 606.71 Investigational
LogP
6.75
HBA
8
TPSA
61.86 Ų
Drug Effect Type
upregulates expression
31255635

Drug 653 fluorene-9-bisphenol

InChIkey: YWFPGFJLYRKYJZ-UHFFFAOYSA-N MF: C25H18O2 MW: 350.41
LogP
5.46
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
modulates activity
35435491

Drug 654 Toluene

InChIkey: YXFVVABEGXRONW-UHFFFAOYSA-N MF: C7H8 MW: 92.14 Vet_approved
LogP
2.00
Drug Effect Type
enhances phosphorylation
8076368

Drug 655 9,10-phenanthrenequinone

InChIkey: YYVYAPXYZVYDHN-UHFFFAOYSA-N MF: C14H8O2 MW: 208.21
LogP
2.73
HBA
2
TPSA
34.14 Ų
Drug Effect Type
modulates localization
29108775

Drug 656 Arachidonic acid

InChIkey: YZXBAPSDXZZRGB-DOFZRALJSA-N MF: C20H32O2 MW: 304.47 Experimental
LogP
6.22
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
upregulates expressionenhances metabolic processing
30258081

Drug 657 Dasatinib

InChIkey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N MF: C22H26ClN7O2S MW: 488.01 Approved
LogP
3.46
HBA
9
HBD
3
TPSA
134.75 Ų
ATC Classification
L01EA02
Drug Effect Type
reduces reactiondownregulates expression
29266867

Drug 658 4-nerolidylcatechol

InChIkey: ZBZZDHDWRSFLAY-GZTJUZNOSA-N MF: C21H30O2 MW: 314.46
LogP
6.01
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
upregulates expression
22372875
upregulates expression
32334110

Drug 659 Docetaxel

InChIkey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N MF: C43H53NO14 MW: 807.88 Approved
LogP
3.65
HBA
15
HBD
5
TPSA
224.45 Ų
ATC Classification
L01CD02
Drug Effect Type
upregulates expressionmodulates cotreatment
9703875
upregulates expressionmodulates cotreatment
15297405
upregulates expressiondownregulates expressionenhances ubiquitinationreduces ubiquitination
15970518
reduces reactionupregulates expression
16080190
upregulates expression
16797627
modulates reactiondownregulates expression
22445862
enhances response to substanceenhances reactiondownregulates expressionreduces response to substanceenhances cleavage
26512780

Drug 660 S-allylcysteine

InChIkey: ZFAHNWWNDFHPOH-YFKPBYRVSA-N MF: C6H11NO2S MW: 161.22
LogP
1.02
HBA
4
HBD
2
TPSA
88.62 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
31067004

Drug 661 diepoxybutane

InChIkey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N MF: C4H6O2 MW: 86.09
LogP
-0.22
HBA
2
TPSA
25.06 Ų
Drug Effect Type
upregulates expression
14998682
reduces reactionmodulates reactionmodulates bindingupregulates expressionenhances phosphorylationenhances stabilityenhances acetylation
20024960
reduces reactionmodulates reactionenhances phosphorylation
29405768
modulates reactionupregulates expression
31953984
modulates reactionupregulates expression
36775894

Drug 662 Skatole

InChIkey: ZFRKQXVRDFCRJG-UHFFFAOYSA-N MF: C9H9N MW: 131.17
LogP
2.48
HBD
1
TPSA
15.79 Ų
Drug Effect Type
modulates localizationenhances phosphorylation
19700606

Drug 663 Bendamustine hydrochloride

InChIkey: ZHSKUOZOLHMKEA-UHFFFAOYSA-N MF: C16H22Cl3N3O2 MW: 394.72
LogP
4.07
HBA
5
HBD
2
TPSA
58.36 Ų
Drug Effect Type
upregulates expression
12948851

Drug 664 Adenosine triphosphate

InChIkey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N MF: C10H16N5O13P3 MW: 507.18 Investigational
LogP
-1.05
HBA
18
HBD
7
TPSA
308.56 Ų
Drug Effect Type
reduces reactiondownregulates abundance
21042727

Drug 665 Epz015666

InChIkey: ZKXZLIFRWWKZRY-KRWDZBQOSA-N MF: C20H25N5O3 MW: 383.44
LogP
0.84
HBA
8
HBD
3
TPSA
99.61 Ų
Drug Effect Type
upregulates expression
31712395

Drug 666 Talmapimod

InChIkey: ZMELOYOKMZBMRB-DLBZAZTESA-N MF: C27H30ClFN4O3 MW: 513.00 Investigational
LogP
3.85
HBA
7
TPSA
65.86 Ų
Drug Effect Type
upregulates expressionenhances reaction
16617327

Drug 667 Fostriecin

InChIkey: ZMQRJWIYMXZORG-DSWNLJKISA-N MF: C19H27O9P MW: 430.39
LogP
1.06
HBA
9
HBD
5
TPSA
163.56 Ų
Drug Effect Type
upregulates expressionenhances reaction
24954032

Drug 668 N,n-dimethylformamide

InChIkey: ZMXDDKWLCZADIW-UHFFFAOYSA-N MF: C3H7NO MW: 73.09 Experimental
LogP
0.34
HBA
2
TPSA
20.31 Ų
Drug Effect Type
reduces reactionupregulates expression
29984871

Drug 669 Fenitrothion

InChIkey: ZNOLGFHPUIJIMJ-UHFFFAOYSA-N MF: C9H12NO5PS MW: 277.23
LogP
3.97
HBA
4
TPSA
115.41 Ų
Drug Effect Type
modulates activity
35435491

Drug 670 Fipronil

InChIkey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N MF: C12H4Cl2F6N4OS MW: 437.15
LogP
5.73
HBA
5
HBD
1
TPSA
103.91 Ų
Drug Effect Type
modulates localization
21296133

Drug 671 Molybdenum

InChIkey: ZOKXTWBITQBERF-UHFFFAOYSA-N MF: Mo MW: 95.96 Approved
LogP
0.00
Drug Effect Type
upregulates expressionenhances phosphorylation
26391003

Drug 672 Tribufos

InChIkey: ZOKXUAHZSKEQSS-UHFFFAOYSA-N MF: C12H27OPS3 MW: 314.51
LogP
6.69
HBA
4
TPSA
102.78 Ų
Drug Effect Type
modulates activity
35435491

Drug 673 Flavanone

InChIkey: ZONYXWQDUYMKFB-UHFFFAOYSA-N MF: C15H12O2 MW: 224.25
LogP
3.39
HBA
2
TPSA
26.30 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
22056764

Drug 674 3-methyladenine

InChIkey: ZPBYVFQJHWLTFB-UHFFFAOYSA-N MF: C6H7N5 MW: 149.15 Experimental
LogP
-0.12
HBA
4
HBD
2
TPSA
70.35 Ų
Drug Effect Type
reduces reactionupregulates expression
22927544
reduces reactionenhances phosphorylation
30555576

Drug 675 Daidzein

InChIkey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N MF: C15H10O4 MW: 254.24 Experimental
LogP
2.87
HBA
4
HBD
2
TPSA
70.67 Ų
Drug Effect Type
upregulates expression
19800779

Drug 676 N-methyl-n-nitrosourea

InChIkey: ZRKWMRDKSOPRRS-UHFFFAOYSA-N MF: C2H5N3O2 MW: 103.08
LogP
0.38
HBA
5
HBD
1
TPSA
75.76 Ų
Drug Effect Type
enhances reactiondownregulates expressionenhances stability
27233451
upregulates expressionenhances phosphorylation
29110037

Drug 677 Astilbin

InChIkey: ZROGCCBNZBKLEL-MPRHSVQHSA-N MF: C21H22O11 MW: 450.39
LogP
0.04
HBA
11
HBD
7
TPSA
186.37 Ų
Drug Effect Type
reduces reactionupregulates expression
29471006

Drug 678 Fatostatin

InChIkey: ZROSUBKIGBSZCG-UHFFFAOYSA-N MF: C18H18N2S MW: 294.41
LogP
5.13
HBA
3
TPSA
54.02 Ų
Drug Effect Type
enhances response to substanceenhances reactiondownregulates expressionreduces phosphorylationenhances cleavagereduces cleavage
26512780
downregulates expression
28483521

Drug 679 Patulin

InChIkey: ZRWPUFFVAOMMNM-UHFFFAOYSA-N MF: C7H6O4 MW: 154.12 Experimental
LogP
-0.30
HBA
4
HBD
1
TPSA
55.76 Ų
Drug Effect Type
upregulates expression
19744505

Drug 680 O-phthalaldehyde

InChIkey: ZWLUXSQADUDCSB-UHFFFAOYSA-N MF: C8H6O2 MW: 134.13
LogP
1.31
HBA
2
TPSA
34.14 Ų
Drug Effect Type
modulates activity
35435491

Drug 681 Crystal violet

InChIkey: ZXJXZNDDNMQXFV-UHFFFAOYSA-M MF: C25H30ClN3 MW: 407.98
LogP
1.46
HBA
2
TPSA
9.49 Ų
Drug Effect Type
reduces reactionenhances activitymodulates bindingupregulates expressionenhances reactionreduces activityenhances stability
24535435
modulates activity
35435491

Drug 682 Coumarin

InChIkey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N MF: C9H6O2 MW: 146.14 Experimental
LogP
1.79
HBA
2
TPSA
30.21 Ų
Drug Effect Type
upregulates expression
32578917

Drug 683 Microcystin-lr

InChIkey: ZYZCGGRZINLQBL-GWRQVWKTSA-N MF: C49H74N10O12 MW: 995.17
LogP
3.93
HBA
22
HBD
10
TPSA
343.14 Ų
Drug Effect Type
upregulates expression
18214937
upregulates expressionenhances phosphorylation
20421190

Drug 684 Tubocapsenolide a

InChIkey: ZZCMFFGGLCGPHY-RODDKVAYSA-N MF: C28H36O6 MW: 468.58
LogP
3.42
HBA
6
HBD
2
TPSA
96.36 Ų
Drug Effect Type
enhances degradation
18442981