RAC-alpha serine/threonine-protein kinase

UniProt: P31749 | Entrez Gene: 207
Basic Information

Protein Structure Visualization

Available PDB Structures:
Full Name:
RAC-alpha serine/threonine-protein kinase (EC 2.7.11.1) (Protein kinase B) (PKB) (Protein kinase B alpha) (PKB alpha) (Proto-oncogene c-Akt) (RAC-PK-alpha)
Entry Name:
AKT1_HUMAN
Gene Symbol:
AKT1
PKB RAC
HUMAN PROTEIN ATLAS:
AKT1
Protein Family:
Protein kinase superfamily, AGC Ser/Thr protein kinase family, RAC subfamily
Reviewed Status:
reviewed
Organism:
Homo sapiens (Human)
Protein Length:
480 amino acids
Pharmacological Class:
Enzyme
Function Main Class:
protein modifying enzyme
Subcellular Location:
Cytoplasm
Nucleus
Cell membrane
Mitochondrion intermembrane space
Activity Regulation:
Three specific sites, one in the kinase domain (Thr-308) and the two other ones in the C-terminal regulatory region (Ser-473 and Tyr-474), need to be phosphorylated for its full activation (PubMed:15262962, PubMed:20481595, PubMed:21392984, PubMed:9512493, PubMed:9736715). Inhibited by pyrrolopyrimidine inhibitors like aniline triazole and spiroindoline (PubMed:18456494, PubMed:20810279).
Tissue Specificity:

Expressed in prostate cancer and levels increase from the normal to the malignant state (at protein level). Expressed in all human cell types so far analyzed. The Tyr-176 phosphorylated form shows a significant increase in expression in breast cancers during the progressive stages i.e. normal to hyperplasia (ADH), ductal carcinoma in situ (DCIS), invasive ductal carcinoma (IDC) and lymph node metastatic (LNMM) stages.

Comprehensive Drug-Protein-ADE Network

Molecular Mechanism for Drug-ADE Associations

1672 Total Drugs
368 Unique Drugs
38 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
39
6 High | 31 Medium | 1 Low Confidence
Total Drugs
566
4 Valid | 14 High | 350 Medium | 198 Low Confidence
ADE Confidence Profile
97%
Known/High-confidence interactions
Drug Confidence Profile
65%
Known/High-confidence interactions

This interactive network visualization shows the relationships between the 39 ADEs and 566 drugs associated with this target.

Adverse Drug Event (ADE)
Drug
Protein Target
39 ADEs 566 Drugs

ADE Type Distribution (Pie Chart)

ADE Type Distribution (Bar Chart)

Showing 1-5 of 0 ADEs

ADE 1 Adenocarcinoma

UMLS: C0001418 MeSH: D000230 Severity: Severe
Medical Classification
C04.557.470.200.025
Literature References
PMID: 33129824
Definition
A malignant epithelial tumor with a glandular organization.

ADE 2 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: 36115647

ADE 3 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: 36115647
Definition
Tumors or cancer of the URINARY BLADDER.

ADE 4 Breast Cancer

UMLS: C0006142 MeSH: D001943 Severity: Severe
Medical Classification
C04.588.180 C17.800.090.500
Literature References
PMID: 20228224

ADE 5 Skin Cancer

UMLS: C0007114 MeSH: D012878 Severity: Severe
Medical Classification
C04.588.805 C17.800.882
Literature References
PMID: 21351258

ADE 6 Carcinoma Squamous

UMLS: C0007137 MeSH: D002294 Severity: Severe
Medical Classification
C04.557.470.200.400 C04.557.470.700.400
Literature References
PMID: 21351258
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 7 Adult Onset Diabetes Mellitus

UMLS: C0011860 MeSH: D003924 Severity: Moderate
Medical Classification
C18.452.394.750.149 C19.246.300
Literature References
PMID: 31626838
Definition
A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.

ADE 8 Fatty Liver

UMLS: C0015695 MeSH: D005234 Severity: Moderate
Medical Classification
C06.552.241
Literature References
PMID: 32045588
Definition
Lipid infiltration of the hepatic parenchymal cells resulting in a yellow-colored liver. The abnormal lipid accumulation is usually in the form of TRIGLYCERIDES, either as a single large droplet or multiple small droplets. Fatty liver is caused by an imbalance in the metabolism of FATTY ACIDS.

ADE 9 Desmoplasia

UMLS: C0016059 MeSH: D005355 Severity: Severe
Medical Classification
C23.550.355
Literature References
PMID: 24448315
Definition
Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.

ADE 10 Cardiomegaly

UMLS: C0018800 MeSH: D006332 Severity: Severe
Medical Classification
C14.280.195 C23.300.775.250
Literature References
PMID: 24448315
Definition
Enlargement of the HEART, usually indicated by a cardiothoracic ratio above 0.50. Heart enlargement may involve the right, the left, or both HEART VENTRICLES or HEART ATRIA. Cardiomegaly is a nonspecific symptom seen in patients with chronic systolic heart failure (HEART FAILURE) or several forms of CARDIOMYOPATHIES.

ADE 11 Enlarged Liver

UMLS: C0019209 MeSH: D006529 Severity: Moderate
Medical Classification
C06.552.416 C23.300.775.525
Literature References
PMID: 32045588
Definition
Enlargement of the liver.

ADE 12 Cellular Proliferation

UMLS: C0020507 MeSH: D006965 Severity: Severe
Medical Classification
C23.550.444
Literature References
PMID: 20530298
Definition
An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells.

ADE 13 Hypertriglyceridaemia

UMLS: C0020557 MeSH: D015228 Severity: Moderate
Medical Classification
C18.452.584.500.500.851
Literature References
PMID: 32045588
Pharmacogenomic InformationPharmGKB
PharmGKB Reference:
PA446120
rs7412
Effect: Increased Risk
rs2854117
Effect: Decreased Risk
rs5128
Effect: Decreased Risk
Increased Risk:1
Decreased Risk:2
Total Variants:3
Definition
A condition of elevated levels of TRIGLYCERIDES in the blood.

ADE 14 Inflammation

UMLS: C0021368 MeSH: D007249 Severity: Moderate
Medical Classification
C23.550.470
Literature References
PMID: 24448315 PMID: 26297436
Definition
A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.

ADE 15 Acute Promyelocytic Leukemia

UMLS: C0023487 MeSH: D015473 Severity: Severe
Medical Classification
C04.557.337.539.275.700
Literature References
PMID: 12556562
Definition
An acute myeloid leukemia in which abnormal PROMYELOCYTES predominate. It is frequently associated with DISSEMINATED INTRAVASCULAR COAGULATION.

ADE 16 Drug Abuse Marijuana

UMLS: C0024809 MeSH: D002189
Medical Classification
C25.775.635 F03.900.635
Literature References
PMID: 21041608
Definition
Use of marijuana associated with abnormal psychological, social, and or occupational functioning.

ADE 17 Brain Tumor, Meningioma

UMLS: C0025286 MeSH: D008579 Severity: Moderate
Medical Classification
C04.557.580.520 C04.557.645.520 C04.588.614.250.580.500 C10.551.240.500.500
Literature References
PMID: 23334667
Definition
A relatively common neoplasm of the CENTRAL NERVOUS SYSTEM that arises from arachnoidal cells. The majority are well differentiated vascular tumors which grow slowly and have a low potential to be invasive, although malignant subtypes occur. Meningiomas have a predilection to arise from the parasagittal region, cerebral convexity, sphenoidal ridge, olfactory groove, and SPINAL CANAL. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2056-7)

ADE 18 Adiposity

UMLS: C0028754 MeSH: D009765 Severity: Moderate
Medical Classification
C18.654.726.500 C23.888.144.699.500 E01.370.600.115.100.160.120.699.500 G07.100.100.160.120.699.500
Literature References
PMID: 23954404
Pharmacogenomic InformationPharmGKB
PharmGKB Reference:
PA445131
rs1065852
Effect: Increased Risk
rs1414334
Effect: Increased Risk
rs7799039
Effect: Increased Risk
Increased Risk:3
Total Variants:3
Definition
A status with BODY WEIGHT that is grossly above the acceptable or desirable weight, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).

ADE 19 Dolor

UMLS: C0030193 MeSH: D010146 Severity: Moderate
Medical Classification
C23.888.592.612 F02.830.816.444 G11.561.790.444
Literature References
PMID: 17084039
Pharmacogenomic InformationPharmGKB
PharmGKB Reference:
PA445208
rs1045642
Effect: Increased Risk
rs1050565
Effect: Increased Risk
rs11212570
Effect: Increased Risk
rs230493
Effect: Decreased Risk
Increased Risk:10
Decreased Risk:1
Total Variants:11
Definition
An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.

ADE 20 Adenomatous Polyposis Coli

UMLS: C0032580 MeSH: D011125 Severity: Severe
Medical Classification
C04.557.470.035.215.100 C04.588.274.476.411.307.089 C04.700.100 C06.301.371.411.307.090 C06.405.249.411.307.090 C06.405.469.158.356.090 C06.405.469.491.307.090 C06.405.469.578.249 C16.320.700.100
Literature References
PMID: 17942926
Definition
A polyposis syndrome due to an autosomal dominant mutation of the APC genes (GENES, APC) on CHROMOSOME 5. The syndrome is characterized by the development of hundreds of ADENOMATOUS POLYPS in the COLON and RECTUM of affected individuals by early adulthood.

ADE 21 Precancerous Condition

UMLS: C0032927 MeSH: D011230 Severity: Moderate
Medical Classification
C04.834
Literature References
PMID: 26297436
Definition
Pathological conditions that tend eventually to become malignant.

ADE 22 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: 15682402 PMID: 29610475 PMID: 33129824
Definition
Tumors or cancer of the PROSTATE.

ADE 23 Toxic Psychoses

UMLS: C0033941 MeSH: D011605
Medical Classification
C25.723.809 C25.775.746 F03.700.675.600 F03.900.746
Literature References
PMID: 21041608
Definition
Psychotic organic mental disorders resulting from the toxic effect of drugs and chemicals or other harmful substance.

ADE 24 Dementia Praecox

UMLS: C0036341 MeSH: D012559 Severity: Moderate
Medical Classification
F03.700.750
Literature References
PMID: 14745448 PMID: 15982448 PMID: 17915974 PMID: 21187413
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 25 Cutaneous Neoplasm

UMLS: C0037286 MeSH: D012878 Severity: Moderate
Medical Classification
C04.588.805 C17.800.882
Literature References
PMID: 21351258
Definition
Tumors or cancer of the SKIN.

ADE 26 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: 25658812
Definition
A group of heterogeneous lymphoid tumors representing malignant transformations of T-lymphocytes.

ADE 27 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 28 Amphetamine Induced Mental Disorder

UMLS: C0236733 MeSH: D019969
Medical Classification
C25.775.225 F03.900.225
Literature References
PMID: 15982448
Definition
Disorders related or resulting from use of amphetamines.

ADE 29 Bladder Cancer Transitional Cell

UMLS: C0279680 Severity: Moderate
Literature References
PMID: 30053268

ADE 30 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: 15682402 PMID: 29610475 PMID: 33129824

ADE 31 Aortic Valve Calcific

UMLS: C0428791 MeSH: C562942 Severity: Severe
Literature References
PMID: 23308213

ADE 32 Cancer Induction

UMLS: C0596263 MeSH: D063646
Medical Classification
C04.697.098 C23.550.727.098
Literature References
PMID: 32045588
Definition
The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.

ADE 33 Cardiomyopathy

UMLS: C0878544 MeSH: D009202 Severity: Severe
Medical Classification
C14.280.238
Literature References
PMID: 24448315
Definition
A group of diseases in which the dominant feature is the involvement of the CARDIAC MUSCLE itself. Cardiomyopathies are classified according to their predominant pathophysiological features (DILATED CARDIOMYOPATHY; HYPERTROPHIC CARDIOMYOPATHY; RESTRICTIVE CARDIOMYOPATHY) or their etiological/pathological factors (CARDIOMYOPATHY, ALCOHOLIC; ENDOCARDIAL FIBROELASTOSIS).

ADE 34 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: 16211241 PMID: 21266360 PMID: 30053268
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 35 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: 23873848
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 36 Cardiac Hypertrophy

UMLS: C1383860 MeSH: D006332 Severity: Severe
Medical Classification
C14.280.195 C23.300.775.250
Literature References
PMID: 24448315
Definition
Enlargement of the HEART due to chamber HYPERTROPHY, an increase in wall thickness without an increase in the number of cells (MYOCYTES, CARDIAC). It is the result of increase in myocyte size, mitochondrial and myofibrillar mass, as well as changes in extracellular matrix.

ADE 37 Breast Neoplasm

UMLS: C1458155 MeSH: D001943 Severity: Moderate
Medical Classification
C04.588.180 C17.800.090.500
Literature References
PMID: 20228224
Definition
Tumors or cancer of the human BREAST.

ADE 38 Carcinoma Of Liver

UMLS: C2239176 MeSH: D006528 Severity: Critical
Medical Classification
C04.557.470.200.025.255 C04.588.274.623.160 C06.301.623.160 C06.552.697.160
Literature References
PMID: 32045588
Pharmacogenomic InformationPharmGKB
PharmGKB Reference:
PA444447
rs12979860
Effect: Increased Risk
Increased Risk:1
Total Variants:1
Definition
A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.

ADE 39 Fatty Infiltration Of Liver

UMLS: C2711227 MeSH: D005234 Severity: Severe
Medical Classification
C06.552.241
Literature References
PMID: 32045588
Definition
Inflammation of the liver related to lipid accumulation in fatty liver.

Drug Type Distribution (Pie Chart)

Drug Type Distribution (Bar Chart)

Showing 1-5 of 0 drugs

Drug 1 Tyrphostin ag 1024

InChIkey: ABBADGFSRBWENF-UHFFFAOYSA-N MF: C14H13BrN2O MW: 305.17
LogP
3.88
HBA
3
HBD
1
TPSA
67.81 Ų
Drug Effect Type
reduces reactionenhances phosphorylationreduces phosphorylation
16236484

Drug 2 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
reduces reactionenhances phosphorylation
17341418
reduces reactionreduces activityreduces phosphorylation
20534739
reduces reactionreduces phosphorylation
22020565
reduces reactionenhances activity
22696236
reduces reactionreduces phosphorylation
25939952
reduces reactionenhances phosphorylation
28087840
reduces reactionreduces phosphorylation
35383226

Drug 3 Equol

InChIkey: ADFCQWZHKCXPAJ-GFCCVEGCSA-N MF: C15H14O3 MW: 242.27 Investigational
LogP
2.82
HBA
3
HBD
2
TPSA
49.69 Ų
Drug Effect Type
enhances phosphorylation
16840783

Drug 4 Mangiferin

InChIkey: AEDDIBAIWPIIBD-ZJKJAXBQSA-N MF: C19H18O11 MW: 422.34
LogP
-0.72
HBA
11
HBD
8
TPSA
201.28 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
22465218

Drug 5 Afuresertib

InChIkey: AFJRDFWMXUECEW-LBPRGKRZSA-N MF: C18H17Cl2FN4OS MW: 427.32 Investigational
LogP
4.99
HBA
6
HBD
2
TPSA
101.18 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Very High
Affinity: Ki=0.08nM
Reference: PMID: 31301565
#2
Inhibitor
Very High
Affinity: Ki=0.08nM
Reference: PMID: 24978597
#3
Medium
Affinity: IC50=16.9nM
Reference: PMID: 31301565
#4
Medium
Affinity: IC50=17nM
Reference: PMID: 31301565
Drug Effect Type
reduces activity
24978597
enhances phosphorylation
28960945
enhances phosphorylation
29928335
reduces phosphorylation
31445927

Drug 6 Ellagic acid

InChIkey: AFSDNFLWKVMVRB-UHFFFAOYSA-N MF: C14H6O8 MW: 302.19 Investigational
LogP
1.31
HBA
8
HBD
4
TPSA
141.34 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Medium
Affinity: IC50=3340nM
Reference: PMID: 22377675
Drug Effect Type
enhances phosphorylation
26986492

Drug 7 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
enhances reactionreduces phosphorylation
23676220
reduces reactionenhances phosphorylation
24986516

Drug 8 Methylglyoxal

InChIkey: AIJULSRZWUXGPQ-UHFFFAOYSA-N MF: C3H4O2 MW: 72.06 Experimental
LogP
-0.23
HBA
2
TPSA
34.14 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
22917016

Drug 9 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
reduces reactionenhances activityenhances phosphorylation
16230421
reduces reactionenhances phosphorylation
25246272

Drug 10 Dihydro-beta-erythroidine

InChIkey: ALSKYCOJJPXPFS-BBRMVZONSA-N MF: C16H21NO3 MW: 275.34
LogP
1.75
HBA
4
TPSA
38.77 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
12511591

Drug 11 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
reduces phosphorylation
15494689
reduces reactionenhances activityenhances reactionenhances phosphorylationreduces phosphorylation
16168102
enhances reactiondownregulates expression
16438844
reduces reactionenhances reactionenhances phosphorylation
16740780
reduces response to substance
16782806
reduces reactionenhances response to substancemodulates cotreatmentenhances phosphorylationenhances degradationreduces phosphorylation
17339365
enhances reactionreduces phosphorylation
17359293
reduces reactionenhances activityenhances phosphorylation
17935137
reduces reactionenhances phosphorylation
20826841
modulates cotreatmentreduces phosphorylation
23300809
reduces phosphorylation
23956100
enhances response to substancereduces phosphorylation
28987325
enhances phosphorylation
31843629
enhances phosphorylation
37062353

Drug 12 Ah 6809

InChIkey: AQFFXPQJLZFABJ-UHFFFAOYSA-N MF: C17H14O5 MW: 298.29
LogP
3.43
HBA
5
HBD
1
TPSA
76.74 Ų
Drug Effect Type
reduces reactionmodulates bindingmodulates cotreatmentreduces phosphorylation
19407222

Drug 13 Chir 99021

InChIkey: AQGNHMOJWBZFQQ-UHFFFAOYSA-N MF: C22H18Cl2N8 MW: 465.34
LogP
5.09
HBA
7
HBD
3
TPSA
115.20 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
34687144

Drug 14 Propranolol

InChIkey: AQHHHDLHHXJYJD-UHFFFAOYSA-N MF: C16H21NO2 MW: 259.34 Approved
LogP
2.97
HBA
3
HBD
2
TPSA
41.49 Ų
ATC Classification
C07AA05C07BA05C07FX01
Drug Effect Type
reduces phosphorylation
30130526
reduces reactionreduces phosphorylation
31838054

Drug 15 Coh

InChIkey: AQTFKGDWFRRIHR-UHFFFAOYSA-L MF: C34H30CoN4O4 MW: 619.58
LogP
0.63
HBA
6
TPSA
130.76 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
18215737
enhances phosphorylation
24041027
downregulates expression
24211270

Drug 16 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
modulates cotreatmentenhances phosphorylation
15001399
reduces reactionenhances activityenhances phosphorylation
16973122
reduces reactionmodulates reactionenhances phosphorylation
24933099

Drug 17 Liothyronine

InChIkey: AUYYCJSJGJYCDS-LBPRGKRZSA-N MF: C15H12I3NO4 MW: 650.97 Approved
LogP
4.65
HBA
5
HBD
3
TPSA
92.78 Ų
ATC Classification
H03AA02H03AA03
Drug Effect Type
enhances phosphorylation
16021636

Drug 18 Disulfiram

InChIkey: AUZONCFQVSMFAP-UHFFFAOYSA-N MF: C10H20N2S4 MW: 296.54 Approved
LogP
3.62
HBA
6
TPSA
121.26 Ų
ATC Classification
N07BB01P03AA04P03AA54
Drug Effect Type
reduces phosphorylation
34182011

Drug 19 Frenolicin b

InChIkey: AVCPRTNVVRPELB-YRUZYCQGSA-N MF: C18H16O6 MW: 328.32
LogP
1.95
HBA
6
HBD
1
TPSA
89.90 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Medium
Affinity: IC50=198nM
Reference: PMID: 24321345
#2
Medium
Affinity: IC50=198nM
Reference: PMID: 19309081
#3
Medium
Affinity: IC50=313nM
Reference: PMID: 22621397
Drug Effect Type
modulates bindingreduces activity
19309081

Drug 20 Uprosertib

InChIkey: AXTAPYRUEKNRBA-JTQLQIEISA-N MF: C18H16Cl2F2N4O2 MW: 429.25 Investigational
LogP
4.66
HBA
6
HBD
2
TPSA
86.08 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Inhibitor
Very High
Affinity: Ki=0.066nM
Reference: PMID: 24978597
#2
Medium
Affinity: IC50=18nM
Reference: PMID: 27089211
#3
Medium
Affinity: IC50=4.7nM
Reference: PMID: 31298542
#4
Medium
Affinity: IC50=9.6nM
Reference: PMID: 31301565
#5
Active
Low
Affinity: Kd=440nM
Reference: PMID: 29191878
Drug Effect Type
reduces activity
24978597
reduces phosphorylation
31445927

Drug 21 Butein

InChIkey: AYMYWHCQALZEGT-ORCRQEGFSA-N MF: C15H12O5 MW: 272.25
LogP
2.41
HBA
5
HBD
4
TPSA
97.99 Ų
Drug Effect Type
reduces phosphorylation
20696233
reduces reactionreduces phosphorylation
35130734

Drug 22 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
16923571
downregulates expression
17157164
enhances reactiondownregulates expression
18566239
downregulates expressionreduces phosphorylation
22810956
modulates reactionmodulates expression
26504004

Drug 23 Genipin

InChIkey: AZKVWQKMDGGDSV-BCMRRPTOSA-N MF: C11H14O5 MW: 226.23
LogP
-0.05
HBA
5
HBD
2
TPSA
75.99 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
29630948

Drug 24 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
downregulates expression
32959892

Drug 25 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
reduces reactionmodulates cotreatmentreduces phosphorylation
25536389

Drug 26 Lapatinib

InChIkey: BCFGMOOMADDAQU-UHFFFAOYSA-N MF: C29H26ClFN4O4S MW: 581.06 Approved
LogP
7.68
HBA
7
HBD
2
TPSA
114.73 Ų
ATC Classification
L01EH01
Drug Effect Type
reduces activity
15665275
downregulates expression
16091755
downregulates expression
19435893
reduces phosphorylation
19509167
modulates cotreatmentreduces phosphorylation
20701607
reduces phosphorylation
29387217
reduces reactionenhances phosphorylation
32890875
reduces reactionenhances reactionenhances phosphorylationupregulates abundance
33396024

Drug 27 Cadmium

InChIkey: BDOSMKKIYDKNTQ-UHFFFAOYSA-N MF: Cd MW: 112.41 Experimental
LogP
-0.00
Drug Effect Type
enhances phosphorylation
14499349
reduces reactionenhances phosphorylation
17125913
reduces reactionenhances phosphorylation
22884995
reduces phosphorylation
26187450
reduces reactionenhances phosphorylation
26514923
modulates cotreatmentenhances phosphorylationupregulates abundance
28949029
reduces phosphorylation
32976933
modulates cotreatmentenhances phosphorylation
39191366

Drug 28 Phenol red

InChIkey: BELBBZDIHDAJOR-UHFFFAOYSA-N MF: C19H14O5S MW: 354.38 Experimental
LogP
4.19
HBA
5
HBD
2
TPSA
92.21 Ų
ATC Classification
V04CH03
Drug Effect Type
reduces activityreduces phosphorylation
17203231

Drug 29 8-ethoxy-2-(4-fluorophenyl)-3-nitro-2H-chromene

InChIkey: BFZXDHIUPNWOMT-UHFFFAOYSA-N MF: C17H14FNO4 MW: 315.30
LogP
4.50
HBA
2
TPSA
64.28 Ų
Drug Effect Type
reduces phosphorylation
24831963

Drug 30 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
reduces reactionreduces phosphorylation
30576070

Drug 31 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
modulates cotreatmentdownregulates expression
15039284

Drug 32 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
reduces reactionenhances phosphorylation
19956873
modulates reactionenhances phosphorylation
30543897
reduces phosphorylation
31163220
reduces reactionreduces phosphorylation
36394428

Drug 33 Raloxifene hydrochloride

InChIkey: BKXVVCILCIUCLG-UHFFFAOYSA-N MF: C28H28ClNO4S MW: 510.04
LogP
6.82
HBA
6
HBD
3
TPSA
98.24 Ų
Drug Effect Type
reduces phosphorylation
15876410
enhances phosphorylation
16798746
enhances phosphorylation
25537862
reduces reactionenhances phosphorylation
35007301

Drug 34 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
modulates cotreatmentenhances phosphorylation
39645617

Drug 35 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 reactionenhances phosphorylation
12640124
reduces reactionreduces activityreduces phosphorylation
16215670
reduces phosphorylation
21821001

Drug 36 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

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Medium
Affinity: Kd=95nM
Reference: PMID: 18183025
#2
Low
Affinity: Kd=950nM
Reference: PMID: 19654408
#3
Low
Affinity: Kd=950nM
Reference: PMID: 22037378
#4
Low
Affinity: Kd=950nM
Reference: PMID: 18183025

Drug 37 Px-12

InChIkey: BPBPYQWMFCTCNG-UHFFFAOYSA-N MF: C7H12N2S2 MW: 188.31 Investigational
LogP
2.95
HBA
3
HBD
1
TPSA
79.28 Ų
Drug Effect Type
enhances reactionenhances phosphorylation
36343453

Drug 38 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
reduces reactionreduces activityenhances phosphorylation
15930307
reduces reactionenhances phosphorylation
31758290

Drug 39 Bilirubin

InChIkey: BPYKTIZUTYGOLE-IFADSCNNSA-N MF: C33H36N4O6 MW: 584.66
LogP
5.19
HBA
8
HBD
6
TPSA
164.38 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
18215737

Drug 40 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
reduces reactiondownregulates expression
19239323

Drug 41 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
modulates cotreatmentdownregulates expression
19908241
reduces activityreduces phosphorylation
20116423
enhances activity
21617849

Drug 42 Btijjdxeelbzfs-hxftunqesa-k

InChIkey: BTIJJDXEELBZFS-UHFFFAOYSA-K MF: C34H32ClFeN4O4 MW: 651.94
LogP
-0.11
HBA
6
HBD
2
TPSA
125.10 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
18215737

Drug 43 Selenium

InChIkey: BUGBHKTXTAQXES-UHFFFAOYSA-N MF: Se MW: 78.96 Approved
LogP
-0.38
Drug Effect Type
reduces reactionenhances response to substancemodulates cotreatmentenhances phosphorylationenhances degradationreduces phosphorylation
17339365

Drug 44 Am251

InChIkey: BUZAJRPLUGXRAB-UHFFFAOYSA-N MF: C22H21Cl2IN4O MW: 555.24
LogP
6.22
HBA
5
HBD
1
TPSA
50.16 Ų
Drug Effect Type
reduces reactionreduces activityreduces phosphorylation
17583570
reduces reactionenhances phosphorylation
33817834

Drug 45 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
12896980
enhances phosphorylation
15845651

Drug 46 Miconazole

InChIkey: BYBLEWFAAKGYCD-UHFFFAOYSA-N MF: C18H14Cl4N2O MW: 416.13 Approved
LogP
6.45
HBA
3
TPSA
27.05 Ų
ATC Classification
A01AB09A07AC01D01AC02... (+5)
Drug Effect Type
reduces phosphorylation
32981224

Drug 47 Unii-drg21oq517

InChIkey: CAOTVXGYTWCKQE-RZTFFZPQSA-N MF: C23H25ClN2O MW: 380.91
LogP
5.28
HBA
3
HBD
1
TPSA
41.99 Ų
Drug Effect Type
reduces phosphorylation
20861237

Drug 48 Ozone

InChIkey: CBENFWSGALASAD-UHFFFAOYSA-N MF: O3 MW: 48.00 Investigational
LogP
0.10
HBA
3
TPSA
51.21 Ų
Drug Effect Type
enhances phosphorylation
19536146

Drug 49 Temsirolimus

InChIkey: CBPNZQVSJQDFBE-FUXHJELOSA-N MF: C56H87NO16 MW: 1,030.29 Approved
LogP
5.66
HBA
17
HBD
4
TPSA
241.96 Ų
ATC Classification
L01EG01
Drug Effect Type
modulates reactionenhances phosphorylation
24392034

Drug 50 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 activity
10998351
reduces reactionenhances activityenhances phosphorylation
11788791
reduces reactionenhances phosphorylation
15980035
reduces reactionenhances phosphorylation
17341418
reduces reactionmodulates phosphorylation
17640974
enhances reactionreduces phosphorylation
27032576

Drug 51 Omipalisib

InChIkey: CGBJSGAELGCMKE-UHFFFAOYSA-N MF: C25H17F2N5O3S MW: 505.50 Investigational
LogP
6.00
HBA
8
HBD
1
TPSA
115.34 Ų
Drug Effect Type
modulates cotreatmentreduces phosphorylation
22733540

Drug 52 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
reduces reactionenhances phosphorylation
17341418
reduces reactiondownregulates expression
17654042

Drug 53 2-ethylhexyldiphenylphosphate

InChIkey: CGSLYBDCEGBZCG-UHFFFAOYSA-N MF: C20H27O4P MW: 362.40
LogP
6.49
HBA
4
TPSA
54.57 Ų
Drug Effect Type
reduces phosphorylation
35503735

Drug 54 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 reactionreduces phosphorylation
29128606

Drug 55 Nintedanib

InChIkey: CPMDPSXJELVGJG-UHFFFAOYSA-N MF: C31H33N5O4 MW: 539.62 Approved
LogP
3.92
HBA
8
HBD
2
TPSA
101.47 Ų
ATC Classification
L01EX09
Drug Effect Type
reduces phosphorylation
39284504

Drug 56 NSC 23766

InChIkey: CPUHORIUXPQCHW-UHFFFAOYSA-N MF: C24H38Cl3N7 MW: 530.96
LogP
8.02
HBA
6
HBD
6
TPSA
91.99 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
31018152

Drug 57 2-Methoxyestradiol

InChIkey: CQOQDQWUFQDJMK-SSTWWWIQSA-N MF: C19H26O3 MW: 302.41 Investigational
LogP
3.62
HBA
3
HBD
2
TPSA
49.69 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentreduces phosphorylation
26011145

Drug 58 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
downregulates expressionreduces phosphorylation
25078063

Drug 59 O,p'-ddt

InChIkey: CVUGPAFCQJIYDT-UHFFFAOYSA-N MF: C14H9Cl5 MW: 354.49
LogP
6.50
Drug Effect Type
enhances phosphorylation
34167450

Drug 60 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 reactionreduces phosphorylation
25053825

Drug 61 Chrysotile

InChIkey: CWBIFDGMOSWLRQ-UHFFFAOYSA-N MF: H4Mg3O9Si2 MW: 277.11
LogP
-2.65
HBA
9
HBD
3
TPSA
188.05 Ų
Drug Effect Type
enhances phosphorylation
26685284

Drug 62 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
reduces response to substance
22653967
reduces phosphorylation
23151917
reduces phosphorylation
24576621
reduces phosphorylation
30316766
reduces reactionupregulates expressionmodulates cotreatment
38479708

Drug 63 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
reduces activityreduces localizationreduces phosphorylation
18093727
downregulates expression
24048756
reduces phosphorylation
25250884
modulates expression
25532840
downregulates expressionreduces phosphorylation
26078792
modulates cotreatmentdownregulates expressionreduces phosphorylation
29552859

Drug 64 Dronabinol

InChIkey: CYQFCXCEBYINGO-IAGOWNOFSA-N MF: C21H30O2 MW: 314.46 Approved
LogP
5.74
HBA
2
HBD
1
TPSA
29.46 Ų
ATC Classification
A04AD10
Drug Effect Type
reduces reactionenhances phosphorylation
12834810
reduces reactionreduces activityreduces phosphorylation
17583570
reduces activityreduces phosphorylation
19509271
reduces reactionreduces phosphorylation
21233844
reduces reactionmodulates reactionreduces phosphorylation
30733293
reduces reactionenhances phosphorylation
30807757

Drug 65 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
enhances activityupregulates expressionenhances phosphorylation
11960367

Drug 66 LY294002

InChIkey: CZQHHVNHHHRRDU-UHFFFAOYSA-N MF: C19H17NO3 MW: 307.34 Experimental
LogP
3.36
HBA
4
TPSA
42.68 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
11788791
reduces reactionenhances activityenhances phosphorylation
12438947
reduces reactionenhances activityenhances phosphorylation
12511591
reduces activity
12556562
reduces phosphorylation
12640124
reduces reactionenhances activityenhances phosphorylationreduces degradation
12821261
reduces reactionenhances phosphorylation
12834810
enhances reactionreduces phosphorylation
14755253
reduces phosphorylation
14757120
reduces activity
14762343
reduces phosphorylation
15001399
modulates cotreatmentreduces phosphorylation
15028728
reduces reactionenhances phosphorylation
15050414
reduces reactionenhances activityenhances phosphorylation
15177934
reduces activity
15213310
reduces reactionenhances phosphorylation
15339911
reduces reactionenhances phosphorylation
15631803
reduces phosphorylation
15897870
reduces reactionenhances activityenhances phosphorylation
15919668
reduces phosphorylation
16059913
reduces reactionenhances reactionenhances phosphorylation
16168102
reduces reactionmodulates cotreatmentenhances phosphorylation
16204373
reduces reactionenhances activity
16211241
reduces phosphorylation
16275998
reduces reactionenhances phosphorylation
16343977
reduces phosphorylation
16434995
reduces reactionenhances phosphorylationreduces phosphorylation
16472761
reduces reactionenhances phosphorylation
16619521
reduces reactionmodulates cotreatmentenhances phosphorylation
16648635
reduces reactionenhances phosphorylation
16682453
reduces reactionenhances phosphorylation
16763222
reduces reactionenhances activityenhances phosphorylation
16973122
reduces phosphorylation
17259349
reduces reactionenhances phosphorylation
17513037
reduces reactionenhances phosphorylation
17550345
reduces activityreduces phosphorylation
17583570
reduces phosphorylation
17684018
reduces phosphorylation
17823925
reduces reactionenhances phosphorylation
18201823
reduces reactionmodulates cotreatmentenhances phosphorylation
18359480
modulates cotreatmentreduces phosphorylation
18622747
reduces phosphorylation
19038232
reduces reactionenhances phosphorylation
19059400
reduces reactionenhances phosphorylationreduces phosphorylation
19073151
reduces reactionenhances phosphorylation
19139269
reduces reactionenhances phosphorylationreduces phosphorylation
19176369
upregulates expression
19457607
reduces reactionenhances phosphorylation
19561517
reduces reactionupregulates expressionenhances phosphorylation
19661335
reduces reactionenhances phosphorylation
19781563
reduces reactionenhances phosphorylation
19814765
reduces reactionenhances phosphorylation
19906781
reduces reactionenhances phosphorylation
19956873
reduces reactionenhances phosphorylation
19962417
reduces reactionmodulates bindingmodulates localizationmodulates cotreatmentreduces response to substancereduces phosphorylation
20361045
reduces phosphorylation
20386985
enhances reactionreduces phosphorylation
20464445
reduces reactionenhances reactionmodulates cotreatmentenhances phosphorylation
20562903
reduces phosphorylation
20600219
enhances reactionreduces phosphorylation
20657188
modulates cotreatmentreduces phosphorylation
20658310
reduces reactionenhances phosphorylation
20938987
reduces reactionenhances activityenhances phosphorylation
21055460
reduces reactionenhances phosphorylation
21474332
enhances reactionreduces phosphorylation
21594580
enhances reactionreduces phosphorylation
21655183
reduces phosphorylation
21821001
reduces reactionenhances phosphorylation
21837363
reduces phosphorylation
21976531
reduces reactionenhances activity
22040890
enhances reactionreduces phosphorylation
22046442
reduces reactionenhances phosphorylation
22556157
reduces reactionenhances phosphorylation
22687995
reduces reactionenhances phosphorylation
23000059
enhances reactionreduces phosphorylation
23285096
modulates cotreatmentreduces phosphorylation
23300809
reduces reactionenhances phosphorylationreduces response to substance
23466500
reduces reactionenhances phosphorylation
24057571
reduces phosphorylation
24122885
reduces reactionenhances phosphorylation
24361488
reduces reactionenhances phosphorylation
24727557
enhances reactionreduces phosphorylation
24875536
reduces reactionenhances cleavage
25118938
reduces phosphorylation
25303017
reduces reactionenhances phosphorylation
25644787
reduces reactionmodulates cotreatmentenhances phosphorylation
25784559
reduces phosphorylation
25866362
reduces phosphorylation
26282490
reduces reactionenhances phosphorylation
26506538
reduces reactionreduces phosphorylation
26687534
reduces phosphorylation
26790143
reduces reactionenhances phosphorylation
26942697
reduces reactionenhances phosphorylation
26974319
reduces reactionenhances phosphorylationreduces phosphorylation
27049278
enhances reactionreduces phosphorylation
27098396
reduces reactionenhances phosphorylation
27295300
reduces reactionenhances phosphorylation
27312872
reduces reactionenhances phosphorylationreduces phosphorylation
27338800
reduces reactiondownregulates expressionreduces phosphorylation
27431321
reduces phosphorylation
27542212
reduces reactionmodulates cotreatmentreduces phosphorylation
29061316
enhances reactionreduces phosphorylation
30205135
enhances reactionreduces phosphorylation
30542770
reduces reactionmodulates cotreatmentenhances phosphorylationreduces phosphorylation
30600586
modulates cotreatmentreduces phosphorylation
30726812
reduces reactionenhances phosphorylation
30851366
reduces reactionenhances phosphorylation
31068539
reduces phosphorylation
31445927
modulates cotreatmentreduces phosphorylation
31614463
enhances reactionreduces phosphorylation
31715269
reduces reactionenhances phosphorylation
31758290
reduces reactionreduces phosphorylation
31830547
reduces reactionenhances phosphorylation
32044604
reduces reactionenhances phosphorylation
32298737
reduces reactionreduces phosphorylation
32602595
reduces reactionenhances reactionenhances phosphorylation
32613688
enhances reactiondownregulates expressionreduces phosphorylation
32687844
enhances reactionreduces phosphorylation
32877639
reduces reactionenhances phosphorylation
33131013
reduces reactionenhances phosphorylation
33516933
reduces reactionenhances phosphorylationreduces phosphorylation
33581215
reduces reactionenhances phosphorylation
33895847
reduces reactionenhances phosphorylation
34784199
reduces reactionenhances phosphorylation
34896440
reduces reactionmodulates cotreatmentenhances phosphorylation
35024177
enhances reactiondownregulates expressionreduces phosphorylation
35122754
reduces reactionenhances phosphorylation
35929799
modulates reactionreduces phosphorylation
36343798
reduces reactionenhances phosphorylation
37051183
reduces reactionreduces phosphorylation
37648050
reduces reactionmodulates cotreatmentreduces phosphorylation
37853848
reduces reactionenhances phosphorylation
38180513
reduces phosphorylation
38477013

Drug 67 Lactacystin

InChIkey: DAQAKHDKYAWHCG-RWTHQLGUSA-N MF: C15H24N2O7S MW: 376.43
LogP
-0.56
HBA
10
HBD
5
TPSA
178.33 Ų
Drug Effect Type
modulates reactionmodulates expression
33256086

Drug 68 1,3-dichloro-2-propanol

InChIkey: DEWLEGDTCGBNGU-UHFFFAOYSA-N MF: C3H6Cl2O MW: 128.99
LogP
0.82
HBA
1
HBD
1
TPSA
20.23 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
33581215

Drug 69 Rottlerin

InChIkey: DEZFNHCVIZBHBI-ZHACJKMWSA-N MF: C30H28O8 MW: 516.54
LogP
5.40
HBA
8
HBD
5
TPSA
144.52 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
15177934
reduces phosphorylation
22902833

Drug 70 Acetovanillone

InChIkey: DFYRUELUNQRZTB-UHFFFAOYSA-N MF: C9H10O3 MW: 166.17 Investigational
LogP
1.60
HBA
3
HBD
1
TPSA
46.53 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
26514923

Drug 71 Lonafarnib

InChIkey: DHMTURDWPRKSOA-RUZDIDTESA-N MF: C27H31Br2ClN4O2 MW: 638.82 Approved
LogP
6.49
HBA
6
HBD
1
TPSA
79.53 Ų
ATC Classification
A16AX20
Drug Effect Type
modulates cotreatmentdownregulates expression
16118318

Drug 72 Cantharidin

InChIkey: DHZBEENLJMYSHQ-XCVPVQRUSA-N MF: C10H12O4 MW: 196.20 Approved
LogP
0.64
HBA
4
TPSA
52.60 Ų
Drug Effect Type
enhances phosphorylation
27113412

Drug 73 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
modulates reactionmodulates cotreatmentenhances phosphorylation
34910997
upregulates expressionenhances reactionenhances phosphorylation
38522500

Drug 74 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
18430789

Drug 75 Gw9662

InChIkey: DNTSIBUQMRRYIU-UHFFFAOYSA-N MF: C13H9ClN2O3 MW: 276.68 Experimental
LogP
4.10
HBA
2
HBD
1
TPSA
74.92 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
21333731
reduces reactionreduces phosphorylation
28834734

Drug 76 Estrone

InChIkey: DNXHEGUUPJUMQT-CBZIJGRNSA-N MF: C18H22O2 MW: 270.37 Approved
LogP
3.82
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
G03CA07G03CC04
Drug Effect Type
reduces reactionenhances phosphorylation
21767602

Drug 77 Dibutyl phthalate

InChIkey: DOIRQSBPFJWKBE-UHFFFAOYSA-N MF: C16H22O4 MW: 278.34 Experimental
LogP
3.60
HBA
4
TPSA
52.60 Ų
ATC Classification
P03BX03
Drug Effect Type
reduces reactionenhances phosphorylation
22552774
enhances phosphorylation
38944327

Drug 78 Imiquimod

InChIkey: DOUYETYNHWVLEO-UHFFFAOYSA-N MF: C14H16N4 MW: 240.30 Approved
LogP
3.40
HBA
4
HBD
1
TPSA
56.73 Ų
ATC Classification
D06BB10
Drug Effect Type
enhances phosphorylation
24990399

Drug 79 Napabucasin

InChIkey: DPHUWDIXHNQOSY-UHFFFAOYSA-N MF: C14H8O4 MW: 240.21 Investigational
LogP
2.26
HBA
4
TPSA
64.35 Ų
Drug Effect Type
reduces phosphorylation
38925513

Drug 80 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
reduces reactionenhances activityenhances phosphorylation
19801633
reduces reactionenhances activityenhances phosphorylation
22457794
reduces reactionreduces phosphorylation
24431215
downregulates expressionreduces phosphorylation
28529061
downregulates expression
30011042

Drug 81 Phosphocreatine

InChIkey: DRBBFCLWYRJSJZ-UHFFFAOYSA-N MF: C4H10N3O5P MW: 211.11 Nutraceutical
LogP
-0.89
HBA
8
HBD
4
TPSA
146.26 Ų
ATC Classification
C01EB06
Drug Effect Type
reduces reactionreduces phosphorylation
37648050

Drug 82 Capsazepine

InChIkey: DRCMAZOSEIMCHM-UHFFFAOYSA-N MF: C19H21ClN2O2S MW: 376.90
LogP
3.95
HBA
5
HBD
3
TPSA
87.82 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
19059400

Drug 83 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
enhances phosphorylation
18078454
reduces reactionenhances phosphorylation
36343453

Drug 84 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
enhances activityenhances phosphorylation
18790786
enhances phosphorylationmodulates response to substance
19147571

Drug 85 Dieckol

InChIkey: DRZQFGYIIYNNEC-UHFFFAOYSA-N MF: C36H22O18 MW: 742.55
LogP
7.62
HBA
18
HBD
11
TPSA
287.14 Ų
Drug Effect Type
downregulates expressionreduces phosphorylation
31291034
reduces phosphorylation
36683349

Drug 86 Osimertinib

InChIkey: DUYJMQONPNNFPI-UHFFFAOYSA-N MF: C28H33N7O2 MW: 499.61 Approved
LogP
4.66
HBA
8
HBD
2
TPSA
87.55 Ų
ATC Classification
L01EB04
Drug Effect Type
downregulates expressionreduces phosphorylation
30145802
reduces reactionmodulates reactionenhances phosphorylation
30623574
downregulates expressionreduces phosphorylation
30993382
reduces phosphorylation
36807944

Drug 87 Sphingosine-1-phosphate

InChIkey: DUYSYHSSBDVJSM-KRWOKUGFSA-N MF: C18H38NO5P MW: 379.47
LogP
4.74
HBA
6
HBD
4
TPSA
122.82 Ų
Drug Effect Type
enhances activityenhances phosphorylation
16365044

Drug 88 Meiqx

InChIkey: DVCCCQNKIYNAKB-UHFFFAOYSA-N MF: C11H11N5 MW: 213.24
LogP
1.99
HBA
5
HBD
1
TPSA
69.62 Ų
Drug Effect Type
modulates cotreatmentreduces phosphorylation
37005939

Drug 89 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
reduces activity
10998351
reduces reactionenhances activityenhances phosphorylation
15177934
reduces reactionenhances activityenhances phosphorylation
15919668
reduces reactionenhances activity
16211241
reduces reactionenhances phosphorylation
16499871
reduces reactionenhances phosphorylation
17341418
enhances reactionreduces phosphorylation
22101421
reduces reactionenhances reactionenhances phosphorylation
24758408
enhances reactionreduces phosphorylation
27032576
reduces reactiondownregulates expressionreduces phosphorylation
27431321
modulates cotreatmentenhances phosphorylation
31614463

Drug 90 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 reactionenhances reactionenhances phosphorylation
31348943

Drug 91 Isoliquiritigenin

InChIkey: DXDRHHKMWQZJHT-FPYGCLRLSA-N MF: C15H12O4 MW: 256.25 Experimental
LogP
2.70
HBA
4
HBD
3
TPSA
77.76 Ų
Drug Effect Type
reduces reactionreduces activityreduces response to substancereduces phosphorylation
23747687
reduces reactionreduces activitydownregulates expressionreduces response to substancereduces phosphorylationenhances cleavage
25094029

Drug 92 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 reactionreduces phosphorylation
35264022

Drug 93 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 94 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 reactionenhances phosphorylation
30296409

Drug 95 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
reduces reactionreduces phosphorylation
28600122

Drug 96 L-methionine

InChIkey: FFEARJCKVFRZRR-BYPYZUCNSA-N MF: C5H11NO2S MW: 149.21 Approved
LogP
0.85
HBA
4
HBD
2
TPSA
88.62 Ų
ATC Classification
V03AB26
Drug Effect Type
modulates cotreatmentreduces phosphorylation
38367245
reduces reactionenhances phosphorylation
38521369

Drug 97 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide

InChIkey: FHYUGAJXYORMHI-UHFFFAOYSA-N MF: C22H16N4O3 MW: 384.39
LogP
4.33
HBA
6
HBD
2
TPSA
103.12 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
33895847

Drug 98 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
enhances reactionreduces phosphorylation
21803027
downregulates expressionreduces phosphorylation
30496626
reduces reactionenhances phosphorylation
30609689

Drug 99 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 reactionenhances activityenhances phosphorylation
12511591
reduces reactionenhances phosphorylation
34784199

Drug 100 Chitosan

InChIkey: FLASNYPZGWUPSU-SICDJOISSA-N MF: C56H103N9O39 MW: 1,526.45
LogP
-14.54
HBA
48
HBD
29
TPSA
808.00 Ų
Drug Effect Type
reduces phosphorylation
36706893

Drug 101 Cyperquat

InChIkey: FMGYKKMPNATWHP-UHFFFAOYSA-N MF: C12H12N+ MW: 170.23
LogP
2.18
TPSA
3.88 Ų
Drug Effect Type
modulates reactionreduces phosphorylation
35279586
reduces reactionmodulates reactionenhances phosphorylation
37051183

Drug 102 Benzo[a]pyrene

InChIkey: FMMWHPNWAFZXNH-UHFFFAOYSA-N MF: C20H12 MW: 252.31
LogP
5.74
Drug Effect Type
enhances phosphorylation
19181443
reduces phosphorylation
24431215
reduces reactionenhances phosphorylation
24685774
reduces reactionmodulates cotreatmentenhances phosphorylationreduces phosphorylation
30726812
reduces reactionenhances reactionenhances phosphorylationupregulates abundance
32062438
reduces reactionupregulates expressionmodulates cotreatmentenhances phosphorylationupregulates abundancereduces cleavage
32802178

Drug 103 Gamabufotalin

InChIkey: FMTLOAVOGWSPEF-KJRPADTMSA-N MF: C24H34O5 MW: 402.52
LogP
3.21
HBA
5
HBD
3
TPSA
90.90 Ų
Drug Effect Type
reduces reactionmodulates reactiondownregulates expressionreduces phosphorylation
33010222

Drug 104 Regorafenib

InChIkey: FNHKPVJBJVTLMP-UHFFFAOYSA-N MF: C21H15ClF4N4O3 MW: 482.82 Approved
LogP
6.23
HBA
7
HBD
3
TPSA
92.35 Ų
ATC Classification
L01EX05
Drug Effect Type
reduces phosphorylation
39348200

Drug 105 Ttnpb

InChIkey: FOIVPCKZDPCJJY-JQIJEIRASA-N MF: C24H28O2 MW: 348.48 Experimental
LogP
6.29
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
reduces response to substance
16417524

Drug 106 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 cotreatmentreduces activity
18445700

Drug 107 1,4-naphthoquinone

InChIkey: FRASJONUBLZVQX-UHFFFAOYSA-N MF: C10H6O2 MW: 158.15
LogP
1.62
HBA
2
TPSA
34.14 Ų
Drug Effect Type
reduces reactionenhances reactionreduces phosphorylation
30871965

Drug 108 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
reduces reactionenhances phosphorylation
32283200

Drug 109 Vinclozolin

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

Drug 110 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 activity
22692793
reduces reactionenhances phosphorylation
25866363

Drug 111 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 reactionreduces phosphorylation
25536389

Drug 112 Betulin

InChIkey: FVWJYYTZTCVBKE-ROUWMTJPSA-N MF: C30H50O2 MW: 442.72 Investigational
LogP
7.00
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
enhances phosphorylation
32190974

Drug 113 Honokiol

InChIkey: FVYXIJYOAGAUQK-UHFFFAOYSA-N MF: C18H18O2 MW: 266.33
LogP
4.22
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
35687986

Drug 114 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
reduces reactionenhances phosphorylation
18025287
reduces reactionreduces phosphorylation
22820424
reduces phosphorylation
36988316
modulates binding
38230788

Drug 115 27-hydroxycholesterol

InChIkey: FYHRJWMENCALJY-YSQMORBQSA-N MF: C27H46O2 MW: 402.65
LogP
6.36
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
33131013
enhances reactionenhances phosphorylation
33880675
reduces reactionenhances phosphorylation
38180513

Drug 116 Terbuthylazine

InChIkey: FZXISNSWEXTPMF-UHFFFAOYSA-N MF: C9H16ClN5 MW: 229.71
LogP
2.31
HBA
5
HBD
2
TPSA
62.73 Ų
Drug Effect Type
reduces reactiondownregulates expressionreduces phosphorylation
27431321

Drug 117 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 activitydownregulates expressionreduces phosphorylation
12208782

Drug 118 Licoricidin

InChIkey: GBRZTUJCDFSIHM-KRWDZBQOSA-N MF: C26H32O5 MW: 424.53
LogP
5.55
HBA
5
HBD
3
TPSA
79.15 Ų
Drug Effect Type
modulates cotreatmentreduces phosphorylation
29782821

Drug 119 Leupeptin

InChIkey: GDBQQVLCIARPGH-ULQDDVLXSA-N MF: C20H38N6O4 MW: 426.55 Investigational
LogP
2.38
HBA
10
HBD
5
TPSA
168.77 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
21818627

Drug 120 3,4',5-trimethoxystilbene

InChIkey: GDHNBPHYVRHYCC-SNAWJCMRSA-N MF: C17H18O3 MW: 270.32
LogP
3.88
HBA
3
TPSA
27.69 Ų
Drug Effect Type
reduces phosphorylation
23921149

Drug 121 Ml-7

InChIkey: GEHJIACZUFWBTK-UHFFFAOYSA-N MF: C15H17IN2O2S MW: 416.28
LogP
3.78
HBA
4
HBD
1
TPSA
57.79 Ų
Drug Effect Type
enhances phosphorylationreduces response to substance
26446980

Drug 122 Gambogic acid

InChIkey: GEZHEQNLKAOMCA-RRZNCOCZSA-N MF: C38H44O8 MW: 628.75
LogP
7.24
HBA
8
HBD
2
TPSA
119.36 Ų
Drug Effect Type
reduces activity
19433130

Drug 123 Leuprorelin

InChIkey: GFIJNRVAKGFPGQ-LIJARHBVSA-N MF: C59H84N16O12 MW: 1,209.40 Approved
LogP
3.36
HBA
26
HBD
15
TPSA
431.54 Ų
ATC Classification
L02AE02L02AE51
Drug Effect Type
reduces reactionenhances phosphorylation
17143537

Drug 124 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
reduces activitydownregulates expressionreduces phosphorylation
17918158
reduces reactionenhances phosphorylation
18794807
modulates cotreatmentdownregulates expression
19885610
modulates reactionmodulates phosphorylation
24095863

Drug 125 Resorcinol

InChIkey: GHMLBKRAJCXXBS-UHFFFAOYSA-N MF: C6H6O2 MW: 110.11 Approved
LogP
1.10
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
D10AX02S01AX06
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylationenhances chemical synthesis
26262998

Drug 126 2,3-bis(4-hydroxyphenyl)-propionitrile

InChIkey: GHZHWDWADLAOIQ-UHFFFAOYSA-N MF: C15H13NO2 MW: 239.27
LogP
2.95
HBA
3
HBD
2
TPSA
64.25 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
35007301

Drug 127 Meiq

InChIkey: GMGWMIJIGUYNAY-UHFFFAOYSA-N MF: C12H12N4 MW: 212.25
LogP
2.59
HBA
4
HBD
1
TPSA
56.73 Ų
Drug Effect Type
modulates cotreatmentreduces phosphorylation
37005939

Drug 128 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
reduces reactionenhances phosphorylation
15879110
reduces reactionenhances phosphorylationupregulates abundance
36504884

Drug 129 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
reduces phosphorylation
23954321
modulates cotreatmentreduces phosphorylation
30502394

Drug 130 Nickel(ii) oxide

InChIkey: GNRSAWUEBMWBQH-UHFFFAOYSA-N MF: NiO MW: 74.69
LogP
-0.12
HBA
1
TPSA
17.07 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
33895847

Drug 131 Ic-87114

InChIkey: GNWHRHGTIBRNSM-UHFFFAOYSA-N MF: C22H19N7O MW: 397.43
LogP
3.35
HBA
8
HBD
1
TPSA
104.51 Ų
Drug Effect Type
reduces phosphorylation
19176369

Drug 132 Ipatasertib

InChIkey: GRZXWCHAXNAUHY-NSISKUIASA-N MF: C24H32ClN5O2 MW: 458.00 Investigational
LogP
3.49
HBA
7
HBD
2
TPSA
81.59 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Very High
Affinity: Kd=0.64nM
Reference: PMID: 34855399
#2
Medium
Affinity: IC50=1.3nM
Reference: PMID: 34375113
#3
Medium
Affinity: IC50=157nM
Reference: PMID: 22934575
#4
Inhibitor
Medium
Affinity: IC50=1nM
Reference: PMID: 22934575
#5
Medium
Affinity: IC50=3.8nM
Reference: PMID: 35679512
#6
Medium
Affinity: IC50=5nM
Reference: PMID: 22934575
Drug Effect Type
reduces phosphorylation
31445927

Drug 133 Tarceva

InChIkey: GTTBEUCJPZQMDZ-UHFFFAOYSA-N MF: C22H24ClN3O4 MW: 429.90
LogP
4.28
HBA
6
HBD
2
TPSA
74.73 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
30623574

Drug 134 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
reduces reactionreduces phosphorylation
19289568

Drug 135 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 reactionreduces phosphorylation
22343715

Drug 136 cobaltous chloride

InChIkey: GVPFVAHMJGGAJG-UHFFFAOYSA-L MF: Cl2Co MW: 129.84 Approved
LogP
-5.99
Drug Effect Type
modulates reactionenhances secretion
17082639
enhances phosphorylation
27297870

Drug 137 Titanium dioxide

InChIkey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N MF: O2Ti MW: 79.87 Approved
LogP
-0.24
HBA
2
TPSA
34.14 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
31068539

Drug 138 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
modulates cotreatmentdownregulates expression
15039284
modulates cotreatmentdownregulates expression
15781649
modulates cotreatmentdownregulates expression
16118318
reduces reactionmodulates cotreatmentreduces response to substancereduces phosphorylationenhances cleavage
16985072
modulates cotreatmentreduces activity
18445700
downregulates expression
18701494
reduces reactionenhances activitymodulates cotreatmentdownregulates expressionenhances cleavage
19261616
enhances activityenhances reactionreduces activity
19457607
modulates cotreatmentreduces phosphorylation
20701607
modulates cotreatmentdownregulates expressionreduces phosphorylation
21472287

Drug 139 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
modulates cotreatmentdownregulates expression
19908241

Drug 140 Sapanisertib

InChIkey: GYLDXIAOMVERTK-UHFFFAOYSA-N MF: C15H15N7O MW: 309.33 Investigational
LogP
3.54
HBA
8
HBD
2
TPSA
121.67 Ų
Drug Effect Type
reduces phosphorylation
26536665

Drug 141 3-(4-t-butylphenyl)-N-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide

InChIkey: GZTFUVZVLYUPRG-IZZDOVSWSA-N MF: C21H23NO3 MW: 337.41
LogP
4.48
HBA
4
HBD
1
TPSA
47.56 Ų
Drug Effect Type
enhances phosphorylation
21349818

Drug 142 Ginsenoside rb1

InChIkey: GZYPWOGIYAIIPV-JBDTYSNRSA-N MF: C54H92O23 MW: 1,109.29 Nutraceutical
LogP
-2.20
HBA
23
HBD
15
TPSA
377.29 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
19781563

Drug 143 Dihydrotanshinone i

InChIkey: HARGZZNYNSYSGJ-JTQLQIEISA-N MF: C18H14O3 MW: 278.30
LogP
3.29
HBA
3
TPSA
43.37 Ų
Drug Effect Type
enhances phosphorylation
26282490

Drug 144 Naphtho[1,2-b]furan-4,5-dione

InChIkey: HAUHEECDQLXVSA-UHFFFAOYSA-N MF: C12H6O3 MW: 198.17
LogP
2.33
HBA
3
TPSA
47.28 Ų
Drug Effect Type
reduces phosphorylation
20197088

Drug 145 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
enhances activity
15059916
reduces activityreduces phosphorylation
15213310

Drug 146 Zinc

InChIkey: HCHKCACWOHOZIP-UHFFFAOYSA-N MF: Zn MW: 65.38 Approved
LogP
-0.00
ATC Classification
C05AX04
Drug Effect Type
reduces reactionupregulates expressionenhances phosphorylation
15980035
reduces reactionenhances activityenhances phosphorylation
16973122
reduces reactionenhances phosphorylation
17513037
reduces phosphorylation
19913001
reduces reactionenhances phosphorylation
22317921

Drug 147 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
reduces phosphorylation
19503098

Drug 148 ABT-100

InChIkey: HEUVRFNVTLGKMZ-SANMLTNESA-N MF: C27H19F3N4O3 MW: 504.46
LogP
5.04
HBA
7
HBD
1
TPSA
104.09 Ų
Drug Effect Type
reduces phosphorylation
15930366

Drug 149 Acrolein

InChIkey: HGINCPLSRVDWNT-UHFFFAOYSA-N MF: C3H4O MW: 56.06
LogP
0.37
HBA
1
TPSA
17.07 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
19596284
reduces reactionmodulates cotreatmentenhances phosphorylationenhances chemical synthesis
26262998

Drug 150 Polychlorinated Dibenzodioxins

InChIkey: HGUFODBRKLSHSI-UHFFFAOYSA-N MF: C12H4Cl4O2 MW: 321.97
LogP
6.20
HBA
2
TPSA
18.46 Ų
Drug Effect Type
reduces reactionenhances activityenhances reactionenhances phosphorylation
11309286
reduces reactionenhances activityenhances phosphorylation
12668121
enhances activity
16051281
reduces reactionmodulates cotreatmentmodulates activity
21807014
reduces reactionmodulates reactionenhances phosphorylation
27312872

Drug 151 Arecoline

InChIkey: HJJPJSXJAXAIPN-UHFFFAOYSA-N MF: C8H13NO2 MW: 155.19 Experimental
LogP
0.36
HBA
3
TPSA
29.54 Ų
Drug Effect Type
reduces reactionmodulates reactionupregulates abundancereduces phosphorylation
30910432

Drug 152 Demethoxycurcumin

InChIkey: HJTVQHVGMGKONQ-LUZURFALSA-N MF: C20H18O5 MW: 338.35
LogP
3.36
HBA
5
HBD
2
TPSA
83.83 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylation
35752269

Drug 153 Puerarin

InChIkey: HKEAFJYKMMKDOR-VPRICQMDSA-N MF: C21H20O9 MW: 416.38 Investigational
LogP
0.39
HBA
9
HBD
6
TPSA
160.82 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
21884717

Drug 154 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 reactionenhances reactionenhances phosphorylation
34077701

Drug 155 Staurosporine

InChIkey: HKSZLNNOFSGOKW-FYTWVXJKSA-N MF: C28H26N4O3 MW: 466.53 Experimental
LogP
5.07
HBA
7
HBD
2
TPSA
69.45 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
High
Affinity: Kd=2nM
Reference: PMID: 18183025
#2
Medium
Affinity: Kd=20nM
Reference: PMID: 18183025
#3
Medium
Affinity: Kd=20nM
Reference: PMID: 22037378
#4
Medium
Affinity: IC50=1.2nM
Reference: PMID: 26318056
#5
Medium
Affinity: IC50=1.5nM
Reference: PMID: 16403626
#6
Medium
Affinity: IC50=1.5nM
Reference: PMID: 16413780
#7
Medium
Affinity: IC50=11nM
Reference: PMID: 16765046
#8
Medium
Affinity: IC50=11nM
Reference: PMID: 24321345
#9
Medium
Affinity: IC50=12nM
Reference: PMID: 29578342
#10
Medium
Affinity: IC50=12nM
Reference: PMID: 26318056
Showing top 10 of 32 total binding affinities
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
15177934

Drug 156 Everolimus

InChIkey: HKVAMNSJSFKALM-GKUWKFKPSA-N MF: C53H83NO14 MW: 958.22 Approved
LogP
6.14
HBA
15
HBD
3
TPSA
204.66 Ų
ATC Classification
L01EG02L04AA18
Drug Effect Type
enhances phosphorylation
16033851
reduces phosphorylation
22885370
enhances phosphorylation
23300809
enhances phosphorylation
28711525
enhances phosphorylation
37739323

Drug 157 Triciribine

InChIkey: HOGVTUZUJGHKPL-HTVVRFAVSA-N MF: C13H16N6O4 MW: 320.30 Investigational
LogP
-0.91
HBA
10
HBD
4
TPSA
144.47 Ų
Drug Effect Type
reduces phosphorylation
20857426

Drug 158 N-methyl-d-aspartic acid

InChIkey: HOKKHZGPKSLGJE-GSVOUGTGSA-N MF: C5H9NO4 MW: 147.13
LogP
-0.48
HBA
5
HBD
3
TPSA
86.63 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
26065936

Drug 159 ABT-737

InChIkey: HPLNQCPCUACXLM-PGUFJCEWSA-N MF: C42H45ClN6O5S2 MW: 813.43 Investigational
LogP
9.95
HBA
9
HBD
2
TPSA
164.49 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentupregulates abundancereduces cleavage
32802178

Drug 160 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
upregulates expression
21396949

Drug 161 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 expressionreduces phosphorylation
26378621

Drug 162 Naftopidil

InChIkey: HRRBJVNMSRJFHQ-UHFFFAOYSA-N MF: C24H28N2O3 MW: 392.49 Investigational
LogP
3.41
HBA
5
HBD
1
TPSA
45.17 Ų
Drug Effect Type
modulates cotreatmentreduces phosphorylation
29374705

Drug 163 Ib-meca

InChIkey: HUJXGQILHAUCCV-MOROJQBDSA-N MF: C18H19IN6O4 MW: 510.29 Investigational
LogP
0.87
HBA
10
HBD
4
TPSA
134.42 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
16116186

Drug 164 Cholesterol

InChIkey: HVYWMOMLDIMFJA-DPAQBDIFSA-N MF: C27H46O MW: 386.65 Approved
LogP
7.39
HBA
1
HBD
1
TPSA
20.23 Ų
Drug Effect Type
upregulates expressionenhances phosphorylation
19672739

Drug 165 Gw0742

InChIkey: HWVNEWGKWRGSRK-UHFFFAOYSA-N MF: C21H17F4NO3S2 MW: 471.49
LogP
6.34
HBA
6
HBD
1
TPSA
112.96 Ų
Drug Effect Type
reduces reactionenhances reactionenhances phosphorylation
19906781

Drug 166 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 phosphorylation
31726078

Drug 167 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
downregulates expression
20530298
reduces reactionenhances reactionmodulates cotreatmentenhances phosphorylation
20562903

Drug 168 Omniscan

InChIkey: HZHFFEYYPYZMNU-UHFFFAOYSA-K MF: C16H26GdN5O8 MW: 573.66 Approved
LogP
-6.58
HBA
13
HBD
2
TPSA
188.31 Ų
ATC Classification
V08CA03
Drug Effect Type
reduces reactionenhances phosphorylation
19561517

Drug 169 Aspartame

InChIkey: IAOZJIPTCAWIRG-QWRGUYRKSA-N MF: C14H18N2O5 MW: 294.30 Investigational
LogP
0.78
HBA
7
HBD
3
TPSA
118.72 Ų
Drug Effect Type
enhances phosphorylation
33992720

Drug 170 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 reactiondownregulates expression
37940031

Drug 171 N-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide

InChIkey: IDEHCMNLNCJQST-UHFFFAOYSA-N MF: C16H21ClN2O2S MW: 340.87 Experimental
LogP
5.46
HBA
4
HBD
2
TPSA
80.57 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
28025122
reduces reactionmodulates cotreatmentenhances phosphorylationreduces phosphorylation
28634229

Drug 172 Idelalisib

InChIkey: IFSDAJWBUCMOAH-HNNXBMFYSA-N MF: C22H18FN7O MW: 415.42 Approved
LogP
3.83
HBA
7
HBD
2
TPSA
101.38 Ų
ATC Classification
L01EM01
Drug Effect Type
enhances reactionreduces phosphorylation
23676220
reduces reactionmodulates cotreatmentreduces phosphorylation
31445927

Drug 173 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
reduces reactionmodulates cotreatmentenhances phosphorylation
18767177
reduces reactionenhances phosphorylation
19956873
upregulates expressionenhances phosphorylation
21890461
reduces reactionenhances activity
22692793
upregulates expression
23222814
reduces reactionenhances phosphorylation
23933164
reduces reactionenhances phosphorylation
24831732
enhances phosphorylation
26363213
enhances activity
27038254
enhances reactionenhances phosphorylation
28882636
enhances phosphorylation
29964091
enhances phosphorylation
32028606
enhances phosphorylation
33516137
modulates reactionmodulates cotreatmentenhances phosphorylation
34910997
enhances phosphorylation
36232920
modulates reactionenhances phosphorylation
36306618
enhances phosphorylation
37080528
reduces phosphorylation
38006930

Drug 174 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 phosphorylation
24995577

Drug 175 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 activity
15868430

Drug 176 Mecamylamine

InChIkey: IMYZQPCYWPFTAG-UHFFFAOYSA-N MF: C11H21N MW: 167.29 Approved
LogP
2.81
HBA
1
HBD
1
TPSA
12.03 Ų
ATC Classification
C02BB01
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
12511591

Drug 177 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
reduces phosphorylation
39197811

Drug 178 Paraquat

InChIkey: INFDPOAKFNIJBF-UHFFFAOYSA-N MF: C12H14N2++ MW: 186.25
LogP
1.00
TPSA
7.76 Ų
Drug Effect Type
modulates reactionmodulates phosphorylation
28428137
reduces reactionreduces phosphorylation
31966674

Drug 179 Sinomenine

InChIkey: INYYVPJSBIVGPH-QHRIQVFBSA-N MF: C19H23NO4 MW: 329.39 Investigational
LogP
1.96
HBA
5
HBD
1
TPSA
59.00 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
37436133

Drug 180 Ah23848 (racemic)

InChIkey: IOFUFYLETVNNRF-OWOJBTEDSA-N MF: C29H35NO5 MW: 477.59
LogP
4.67
HBA
6
HBD
1
TPSA
76.07 Ų
Drug Effect Type
reduces reactionmodulates bindingmodulates cotreatmentreduces phosphorylation
19407222

Drug 181 Nitroaspirin

InChIkey: IOJUJUOXKXMJNF-UHFFFAOYSA-N MF: C16H13NO7 MW: 331.28 Investigational
LogP
3.06
HBA
4
TPSA
107.65 Ų
Drug Effect Type
modulates phosphorylation
16169935

Drug 182 Quinocetone

InChIkey: IOKWXGMNRWVQHX-VAWYXSNFSA-N MF: C18H14N2O3 MW: 306.32
LogP
3.11
HBA
4
TPSA
70.52 Ų
Drug Effect Type
enhances phosphorylationreduces response to substance
26446980
enhances reactionreduces phosphorylation
27098396

Drug 183 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 reactionenhances phosphorylation
22683933
reduces reactionreduces phosphorylation
30362509
reduces reactionenhances phosphorylation
32283200
reduces reactionreduces phosphorylation
35747990
reduces reactionmodulates cotreatmentenhances phosphorylation
37523837
reduces reactionenhances phosphorylation
38431059

Drug 184 Hemistepsin

InChIkey: IPZJSGMDGJTDNK-NQLMQOPMSA-N MF: C19H22O6 MW: 346.37
LogP
1.06
HBA
6
HBD
2
TPSA
93.06 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
31830547

Drug 185 Luteolin

InChIkey: IQPNAANSBPBGFQ-UHFFFAOYSA-N MF: C15H10O6 MW: 286.24 Experimental
LogP
2.28
HBA
6
HBD
4
TPSA
111.13 Ų
Drug Effect Type
reduces phosphorylation
19344998
reduces reactionenhances phosphorylation
20153296
reduces reactiondownregulates expressionenhances phosphorylation
22926442
reduces reactionenhances phosphorylation
25448439
enhances phosphorylation
27474067
reduces phosphorylation
38134066
reduces phosphorylation
38230768

Drug 186 Ligustilide

InChIkey: IQVQXVFMNOFTMU-FLIBITNWSA-N MF: C12H14O2 MW: 190.24
LogP
2.87
HBA
2
TPSA
26.30 Ų
Drug Effect Type
reduces phosphorylation
23973442

Drug 187 Benzyl butyl phthalate

InChIkey: IRIAEXORFWYRCZ-UHFFFAOYSA-N MF: C19H20O4 MW: 312.36
LogP
4.00
HBA
4
TPSA
52.60 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
22552774
modulates phosphorylation
29864457

Drug 188 2,3',4,4',5-pentachlorobiphenyl

InChIkey: IUTPYMGCWINGEY-UHFFFAOYSA-N MF: C12H5Cl5 MW: 326.43
LogP
6.62
Drug Effect Type
reduces reactionupregulates expressionenhances phosphorylation
25644787

Drug 189 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 expressionreduces phosphorylation
29992829
reduces phosphorylation
33118390

Drug 190 Akt inhibitor viii

InChIkey: IWCQHVUQEFDRIW-UHFFFAOYSA-N MF: C34H29N7O MW: 551.64
LogP
6.26
HBA
6
HBD
2
TPSA
95.49 Ų
Drug Effect Type
modulates bindingreduces response to substance
20361045
reduces reactionreduces phosphorylation
28245986
reduces reactionenhances reactionenhances phosphorylation
31348943

Drug 191 Kukoamine b

InChIkey: IWRAOCFRRTWUDF-UHFFFAOYSA-N MF: C28H42N4O6 MW: 530.66
LogP
3.61
HBA
10
HBD
7
TPSA
168.38 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
26065936
reduces reactionreduces phosphorylation
26164594

Drug 192 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
reduces phosphorylation
29112301

Drug 193 Thapsigargin

InChIkey: IXFPJGBNCFXKPI-FSIHEZPISA-N MF: C34H50O12 MW: 650.75
LogP
3.93
HBA
12
HBD
2
TPSA
171.96 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
15339911
reduces reactionreduces phosphorylation
22378314

Drug 194 Amiodarone

InChIkey: IYIKLHRQXLHMJQ-UHFFFAOYSA-N MF: C25H29I2NO3 MW: 645.31 Approved
LogP
6.94
HBA
4
TPSA
42.68 Ų
ATC Classification
C01BD01
Drug Effect Type
reduces phosphorylation
23912912
reduces phosphorylation
26515726

Drug 195 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
enhances activity
17322126

Drug 196 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 reactionenhances phosphorylation
19244381
reduces reactionenhances phosphorylationreduces phosphorylation
20438634

Drug 197 Dihydrolipoic acid

InChIkey: IZFHEQBZOYJLPK-UHFFFAOYSA-N MF: C8H16O2S2 MW: 208.34
LogP
2.25
HBA
4
HBD
3
TPSA
114.90 Ų
Drug Effect Type
reduces reactionupregulates expressionmodulates cotreatmentdownregulates expression
37409350

Drug 198 Benzene

InChIkey: JDBCWSHYEQUBLW-AATRIKPKSA-N MF: C18H20O4 MW: 300.35
LogP
3.89
HBA
4
TPSA
36.92 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
35288162

Drug 199 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 200 Capivasertib

InChIkey: JDUBGYFRJFOXQC-KRWDZBQOSA-N MF: C21H25ClN6O2 MW: 428.92 Investigational
LogP
3.31
HBA
7
HBD
4
TPSA
120.16 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Inhibitor
Medium
Affinity: IC50=25.43nM
Reference: PMID: 31298542
#2
Medium
Affinity: IC50=25.43nM
Reference: PMID: 31298542
#3
Medium
Affinity: IC50=25nM
Reference: PMID: 31298542
#4
Medium
Affinity: IC50=34nM
Reference: PMID: 27089211
#5
Medium
Affinity: IC50=3nM
Reference: PMID: 32599323
#6
Inhibitor
Medium
Affinity: IC50=3nM
Reference: PMID: 23394218
#7
Medium
Affinity: IC50=3nM
Reference: PMID: 23394218
#8
Medium
Affinity: IC50=8nM
Reference: PMID: 34917257
#9
Active
Very Low
Affinity: Kd=3883nM
Reference: PMID: 29191878
Drug Effect Type
enhances phosphorylation
26853465

Drug 201 Schisandrin a

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

Drug 202 Darinaparsin

InChIkey: JGDXFQORBMPJGR-YUMQZZPRSA-N MF: C12H22AsN3O6S MW: 411.31 Investigational
LogP
0.33
HBA
10
HBD
5
TPSA
184.12 Ų
Drug Effect Type
enhances phosphorylation
25316819

Drug 203 LY 117018

InChIkey: JLERVPBPJHKRBJ-UHFFFAOYSA-N MF: C27H25NO4S MW: 459.56
LogP
5.62
HBA
6
HBD
2
TPSA
98.24 Ų
Drug Effect Type
reduces phosphorylation
15876410

Drug 204 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
downregulates expression
33548266

Drug 205 Veliparib

InChIkey: JNAHVYVRKWKWKQ-CYBMUJFWSA-N MF: C13H16N4O MW: 244.29 Investigational
LogP
2.29
HBA
4
HBD
3
TPSA
83.80 Ų
ATC Classification
L01XK05
Drug Effect Type
enhances reactionenhances phosphorylation
30296409

Drug 206 Dactolisib

InChIkey: JOGKUKXHTYWRGZ-UHFFFAOYSA-N MF: C30H23N5O MW: 469.54 Investigational
LogP
5.89
HBA
6
TPSA
76.50 Ų
Drug Effect Type
downregulates expression
19435893
reduces phosphorylation
21464613
enhances reactionreduces phosphorylation
22415236
reduces phosphorylation
23151917
reduces reactionenhances phosphorylation
24758408
reduces phosphorylation
25640480

Drug 207 Chromium(6+)

InChIkey: JOPOVCBBYLSVDA-UHFFFAOYSA-N MF: Cr++++++ MW: 52.00
LogP
0.00
Drug Effect Type
reduces reactionmodulates reactionmodulates localizationreduces activityreduces phosphorylation
19377290
reduces reactionenhances phosphorylation
25448439

Drug 208 Dobutamine

InChIkey: JRWZLRBJNMZMFE-UHFFFAOYSA-N MF: C18H23NO3 MW: 301.38 Approved
LogP
3.35
HBA
4
HBD
4
TPSA
72.72 Ų
ATC Classification
C01CA07
Drug Effect Type
modulates response to substance
16094411

Drug 209 Vistusertib

InChIkey: JUSFANSTBFGBAF-IRXDYDNUSA-N MF: C25H30N6O3 MW: 462.54 Investigational
LogP
3.02
HBA
9
HBD
1
TPSA
92.71 Ų
Drug Effect Type
reduces phosphorylation
26853465

Drug 210 Rotenone

InChIkey: JUVIOZPCNVVQFO-HBGVWJBISA-N MF: C23H22O6 MW: 394.42 Vet_approved
LogP
3.70
HBA
6
TPSA
63.22 Ų
Drug Effect Type
reduces reactionmodulates reactionreduces phosphorylation
28245986
reduces reactionmodulates reactionreduces phosphorylation
34182063

Drug 211 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
enhances activity
23845594
reduces phosphorylation
24825450

Drug 212 Calcifediol

InChIkey: JWUBBDSIWDLEOM-DTOXIADCSA-N MF: C27H44O2 MW: 400.64 Approved
LogP
6.73
HBA
2
HBD
2
TPSA
40.46 Ų
ATC Classification
A11CC06H05BX05
Drug Effect Type
reduces reactionenhances phosphorylation
34255241

Drug 213 Asiatic acid

InChIkey: JXSVIVRDWWRQRT-UYDOISQJSA-N MF: C30H48O5 MW: 488.70 Experimental
LogP
5.03
HBA
5
HBD
4
TPSA
97.99 Ų
Drug Effect Type
enhances reactionreduces phosphorylation
38567545

Drug 214 Rimonabant

InChIkey: JZCPYUJPEARBJL-UHFFFAOYSA-N MF: C22H21Cl3N4O MW: 463.79 Approved
LogP
6.27
HBA
5
HBD
1
TPSA
50.16 Ų
ATC Classification
A08AX01
Drug Effect Type
reduces reactionenhances phosphorylation
12834810

Drug 215 Thymoquinone

InChIkey: KEQHJBNSCLWCAE-UHFFFAOYSA-N MF: C10H12O2 MW: 164.20 Investigational
LogP
1.67
HBA
2
TPSA
34.14 Ų
Drug Effect Type
reduces phosphorylation
31298468

Drug 216 Plantamajoside

InChIkey: KFEFLPDKISUVNR-QJEHNBJNSA-N MF: C29H36O16 MW: 640.59
LogP
-2.04
HBA
16
HBD
10
TPSA
265.52 Ų
Drug Effect Type
reduces reactionenhances reactionreduces phosphorylation
35350904

Drug 217 Cinnamaldehyde

InChIkey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N MF: C9H8O MW: 132.16 Approved
LogP
1.90
HBA
1
TPSA
17.07 Ų
Drug Effect Type
enhances phosphorylation
21469739

Drug 218 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
enhances reactionenhances phosphorylation
36343453

Drug 219 Ruthenium

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

Drug 220 Dihydromyricetin

InChIkey: KJXSIXMJHKAJOD-LSDHHAIUSA-N MF: C15H12O8 MW: 320.25 Investigational
LogP
0.89
HBA
8
HBD
6
TPSA
147.68 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylationreduces phosphorylationenhances cleavageenhances ubiquitination
36807944

Drug 221 Nitidine

InChIkey: KKMPSGJPCCJYRV-UHFFFAOYSA-N MF: C21H18NO4+ MW: 348.37
LogP
3.72
HBA
4
TPSA
40.80 Ų
Drug Effect Type
reduces phosphorylation
36175965

Drug 222 2-(morpholin-4-yl)benzo(h)chromen-4-one

InChIkey: KKTZALUTXUZPSN-UHFFFAOYSA-N MF: C17H15NO3 MW: 281.31
LogP
2.85
HBA
4
TPSA
42.68 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
20826841

Drug 223 Potassium dichromate

InChIkey: KMUONIBRACKNSN-UHFFFAOYSA-N MF: Cr2K2O7 MW: 294.18
LogP
-0.78
HBA
7
TPSA
123.63 Ų
Drug Effect Type
upregulates expression
23718831

Drug 224 Reparixin

InChIkey: KQDRVXQXKZXMHP-LLVKDONJSA-N MF: C14H21NO3S MW: 283.39 Investigational
LogP
3.54
HBA
4
HBD
1
TPSA
71.62 Ų
Drug Effect Type
reduces reactionenhances phosphorylationupregulates abundance
33396024

Drug 225 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 phosphorylation
21466843
enhances reactionreduces phosphorylation
31715269

Drug 226 Crizotinib

InChIkey: KTEIFNKAUNYNJU-GFCCVEGCSA-N MF: C21H22Cl2FN5O MW: 450.34 Approved
LogP
5.95
HBA
6
HBD
2
TPSA
77.99 Ų
ATC Classification
L01ED01
Drug Effect Type
reduces reactionreduces phosphorylation
22553343
enhances reactionreduces phosphorylation
22729845

Drug 227 AZD8055

InChIkey: KVLFRAWTRWDEDF-IRXDYDNUSA-N MF: C25H31N5O4 MW: 465.54 Investigational
LogP
2.77
HBA
9
HBD
1
TPSA
93.07 Ų
Drug Effect Type
reduces phosphorylation
30661989

Drug 228 Olanzapine

InChIkey: KVWDHTXUZHCGIO-UHFFFAOYSA-N MF: C17H20N4S MW: 312.43 Approved
LogP
2.89
HBA
4
HBD
1
TPSA
59.11 Ų
ATC Classification
N05AH03
Drug Effect Type
upregulates expressionenhances phosphorylation
19440698

Drug 229 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
reduces reactionreduces phosphorylation
30797898

Drug 230 Lithium chloride

InChIkey: KWGKDLIKAYFUFQ-UHFFFAOYSA-M MF: ClLi MW: 42.39 Experimental
LogP
-3.00
Drug Effect Type
reduces reactionreduces phosphorylation
22820424

Drug 231 Solasodine

InChIkey: KWVISVAMQJWJSZ-VKROHFNGSA-N MF: C27H43NO2 MW: 413.64
LogP
5.62
HBA
3
HBD
2
TPSA
41.49 Ų
Drug Effect Type
reduces phosphorylation
28283413

Drug 232 Tetrachlorobisphenol a

InChIkey: KYPYTERUKNKOLP-UHFFFAOYSA-N MF: C15H12Cl4O2 MW: 366.07
LogP
6.04
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
33582643

Drug 233 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
downregulates expression
15947208
modulates cotreatmentdownregulates expression
19885610

Drug 234 Uric acid

InChIkey: LEHOTFFKMJEONL-UHFFFAOYSA-N MF: C5H4N4O3 MW: 168.11 Investigational
LogP
-1.77
HBA
3
HBD
4
TPSA
114.37 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
35687986

Drug 235 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
enhances activityenhances phosphorylation
18295389
enhances reactionenhances phosphorylation
26220687
reduces reactionenhances phosphorylation
33516933

Drug 236 Pictilisib

InChIkey: LHNIIDJUOCFXAP-UHFFFAOYSA-N MF: C23H27N7O3S2 MW: 513.64 Investigational
LogP
3.17
HBA
10
HBD
1
TPSA
144.17 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Medium
Affinity: IC50=28nM
Reference: PMID: 18754654
#2
Medium
Affinity: IC50=37nM
Reference: PMID: 18754654
#3
Medium
Affinity: IC50=46nM
Reference: PMID: 18754654

Drug 237 Cadmium acetate

InChIkey: LHQLJMJLROMYRN-UHFFFAOYSA-L MF: C4H6CdO4 MW: 230.50
LogP
-2.49
HBA
4
TPSA
80.26 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
21787718

Drug 238 Deoxynivalenol

InChIkey: LINOMUASTDIRTM-QGRHZQQGSA-N MF: C15H20O6 MW: 296.32
LogP
-0.84
HBA
6
HBD
3
TPSA
99.52 Ų
Drug Effect Type
modulates cotreatmentreduces phosphorylation
35090964
enhances phosphorylation
37705238

Drug 239 Aluminum maltolate

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

Drug 240 Trametinib

InChIkey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N MF: C26H23FIN5O4 MW: 615.39 Approved
LogP
4.09
HBA
8
HBD
2
TPSA
107.13 Ų
ATC Classification
L01EE01
Drug Effect Type
modulates cotreatmentenhances phosphorylationreduces phosphorylation
22733540

Drug 241 Thiorphan

InChIkey: LJJKNPQAGWVLDQ-UHFFFAOYSA-N MF: C12H15NO3S MW: 253.32
LogP
1.37
HBA
5
HBD
3
TPSA
105.20 Ų
Drug Effect Type
reduces activitymodulates activityreduces phosphorylation
16405511

Drug 242 Jwh-015

InChIkey: LJSBBBWQTLXQEN-UHFFFAOYSA-N MF: C23H21NO MW: 327.42
LogP
5.74
HBA
2
TPSA
22.00 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
30807757

Drug 243 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
reduces reactionenhances phosphorylation
17325745

Drug 244 Kn-93

InChIkey: LLLQTDSSHZREGW-AATRIKPKSA-N MF: C26H29ClN2O4S MW: 501.04
LogP
5.76
HBA
6
HBD
1
TPSA
78.46 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
28025122

Drug 245 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
reduces reactionenhances phosphorylation
23958494

Drug 246 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
reduces activity
22387266
reduces reactionreduces phosphorylation
23153558
reduces reactiondownregulates expressionreduces phosphorylation
26530725
reduces reactionupregulates expressionmodulates cotreatmentenhances phosphorylation
27087131
reduces reactionmodulates reactionmodulates cotreatmentreduces phosphorylation
29061316
downregulates expressionreduces phosphorylation
38100242

Drug 247 15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid

InChIkey: LQANGKSBLPMBTJ-RTYMFESYSA-N MF: C21H34O4 MW: 350.49
LogP
4.34
HBA
4
HBD
2
TPSA
66.76 Ų
Drug Effect Type
enhances phosphorylation
35288162

Drug 248 Chrysophanol

InChIkey: LQGUBLBATBMXHT-UHFFFAOYSA-N MF: C15H10O4 MW: 254.24
LogP
2.18
HBA
4
HBD
2
TPSA
74.60 Ų
Drug Effect Type
reduces phosphorylation
30300626

Drug 249 BMS-754807

InChIkey: LQVXSNNAFNGRAH-QHCPKHFHSA-N MF: C23H24FN9O MW: 461.49 Investigational
LogP
3.82
HBA
8
HBD
3
TPSA
116.13 Ų
Drug Effect Type
reduces reactionenhances phosphorylationreduces phosphorylation
24986516

Drug 250 1-Butanol

InChIkey: LRHPLDYGYMQRHN-UHFFFAOYSA-N MF: C4H10O MW: 74.12 Experimental
LogP
0.78
HBA
1
HBD
1
TPSA
20.23 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
15919668
reduces reactionenhances activityenhances phosphorylation
16236484

Drug 251 Vanadate(3-)

InChIkey: LSGOVYNHVSXFFJ-UHFFFAOYSA-N MF: O4V--- MW: 114.94
LogP
-0.48
HBA
4
TPSA
86.25 Ų
Drug Effect Type
reduces reactionmodulates reactionmodulates localizationenhances response to substancereduces activityreduces phosphorylation
19377290

Drug 252 epicatechin gallate

InChIkey: LSHVYAFMTMFKBA-TZIWHRDSSA-N MF: C22H18O10 MW: 442.37
LogP
2.53
HBA
10
HBD
7
TPSA
177.14 Ų
Drug Effect Type
reduces phosphorylation
21945981
reduces reactionmodulates reactionmodulates cotreatmentreduces phosphorylation
29061316

Drug 253 4-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline

InChIkey: LSPANGZZENHZNJ-UHFFFAOYSA-N MF: C16H14BrN3O2 MW: 360.21
LogP
4.23
HBA
4
HBD
1
TPSA
56.27 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
15177934
reduces reactionenhances phosphorylation
15980035
reduces reactionenhances phosphorylation
16077934
reduces reactionenhances activity
16211241

Drug 254 U-73122

InChIkey: LUFAORPFSVMJIW-ZRJUGLEFSA-N MF: C29H40N2O3 MW: 464.64
LogP
5.32
HBA
5
HBD
1
TPSA
58.64 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
15177934

Drug 255 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
reduces phosphorylation
15829497
reduces reactionenhances phosphorylation
15925284
reduces reactionenhances activityenhances phosphorylation
16343977
reduces reactionreduces activityenhances phosphorylationreduces phosphorylation
16626303
reduces phosphorylation
16731767
reduces phosphorylation
16979140
reduces phosphorylation
17044934
reduces phosphorylation
17164350
reduces phosphorylation
17486135
enhances phosphorylation
17499741
reduces reactionenhances phosphorylation
17513867
reduces reactionenhances phosphorylation
17550345
reduces phosphorylation
17823925
reduces activityreduces phosphorylation
17868649
reduces reactionenhances phosphorylation
20153296
modulates reactionreduces phosphorylation
21743969
reduces phosphorylation
21980390
downregulates expression
22234583
reduces reactionreduces phosphorylation
22917016
reduces activity
23229870
enhances phosphorylation
23298290
downregulates expression
23314035
reduces phosphorylation
23954321
reduces phosphorylation
23975182
modulates phosphorylation
24001813
downregulates expression
24299158
reduces reactionenhances phosphorylation
24304514
reduces reactionreduces phosphorylation
24535223
reduces reactionmodulates bindingdownregulates expression
24968355
reduces phosphorylation
25448084
reduces phosphorylation
25605016
reduces phosphorylation
26394120
reduces reactionenhances phosphorylation
26497626
modulates reactionreduces phosphorylation
26530632
reduces reactionenhances phosphorylationreduces phosphorylation
27049278
reduces reactionreduces phosphorylation
32621571

Drug 256 16-hydroxycleroda-3,13(14)-dien-15,16-olide

InChIkey: LVSCWEDTMWAASP-AQEMGIOASA-N MF: C20H30O3 MW: 318.45
LogP
4.37
HBA
3
HBD
1
TPSA
46.53 Ų
Drug Effect Type
reduces phosphorylation
21530604

Drug 257 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
enhances reactionreduces phosphorylation
14755253
enhances activityenhances phosphorylation
15981204
enhances reactionreduces phosphorylation
16082193
reduces reactionupregulates expressionenhances phosphorylation
21092744
reduces reactionenhances activitydownregulates expressionreduces response to substanceenhances cleavage
21266360
reduces response to substance
21351258
reduces phosphorylation
21603599
reduces phosphorylation
21821001
reduces reactionenhances phosphorylationreduces response to substance
23466500
reduces phosphorylation
23956100
reduces reactionreduces phosphorylation
29471006
reduces phosphorylation
30550853
enhances reactionreduces phosphorylation
31255669
reduces phosphorylation
32762018
enhances reactionreduces phosphorylation
34687144

Drug 258 Cps-11

InChIkey: LZHQPJSJEITGHB-UHFFFAOYSA-N MF: C14H12N2O5 MW: 288.26
LogP
-0.37
HBA
7
HBD
1
TPSA
94.99 Ų
Drug Effect Type
enhances phosphorylationreduces phosphorylation
15858615

Drug 259 Zearalenone

InChIkey: MBMQEIFVQACCCH-QBODLPLBSA-N MF: C18H22O5 MW: 318.36
LogP
3.58
HBA
5
HBD
2
TPSA
83.83 Ų
Drug Effect Type
modulates cotreatmentreduces phosphorylation
35090964

Drug 260 Osthole

InChIkey: MBRLOUHOWLUMFF-UHFFFAOYSA-N MF: C15H16O3 MW: 244.29
LogP
3.31
HBA
3
TPSA
39.44 Ų
Drug Effect Type
reduces phosphorylation
31870840

Drug 261 Benzyl isothiocyanate

InChIkey: MDKCFLQDBWCQCV-UHFFFAOYSA-N MF: C8H7NS MW: 149.21 Experimental
LogP
2.29
HBA
2
TPSA
44.45 Ų
Drug Effect Type
enhances phosphorylation
31587482

Drug 262 Procaine

InChIkey: MFDFERRIHVXMIY-UHFFFAOYSA-N MF: C13H20N2O2 MW: 236.31 Approved
LogP
2.35
HBA
4
HBD
1
TPSA
55.56 Ų
ATC Classification
C05AD05N01BA02N01BA52... (+1)
Drug Effect Type
modulates reactionenhances phosphorylation
32061592

Drug 263 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 response to substance
12361705
enhances reactionenhances phosphorylation
17325745
enhances activitymodulates reactionenhances phosphorylation
19414004
reduces phosphorylation
19451193
reduces reactionenhances reactionmodulates cotreatmentenhances phosphorylation
20562903
modulates expression
21179406
reduces reactionenhances phosphorylation
22020565
enhances phosphorylation
24933099
enhances phosphorylation
25944616
reduces reactionreduces phosphorylation
26164594
reduces reactionmodulates cotreatmentenhances phosphorylationenhances chemical synthesis
26262998
reduces reactionreduces phosphorylation
27049278
reduces reactionenhances phosphorylation
27451028
reduces reactionmodulates reactionmodulates cotreatmentreduces phosphorylation
29061316
modulates reactionenhances phosphorylation
29486183
modulates cotreatmentenhances phosphorylation
29687528
modulates cotreatmentenhances phosphorylation
30231594
enhances phosphorylation
30265530
modulates reactionmodulates bindingenhances reactionmodulates cotreatmentenhances phosphorylation
30296409
modulates cotreatmentenhances phosphorylation
31157476
reduces reactionreduces phosphorylation
31173752
reduces reactionmodulates reactionreduces phosphorylation
32043704
reduces reactionenhances reactionenhances phosphorylation
34077701
reduces reactionreduces phosphorylation
36880193
reduces reactionreduces phosphorylation
37648050
reduces reactiondownregulates expression
37940031

Drug 264 Neferine

InChIkey: MIBATSHDJRIUJK-ROJLCIKYSA-N MF: C38H44N2O6 MW: 624.77
LogP
6.64
HBA
8
HBD
1
TPSA
72.86 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
31207222
enhances reactionreduces phosphorylation
31255669

Drug 265 L-ascorbic acid 2-phosphate

InChIkey: MIJPAVRNWPDMOR-ZAFYKAAXSA-N MF: C6H9O9P MW: 256.10
LogP
-1.86
HBA
9
HBD
5
TPSA
163.56 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylation
23111315

Drug 266 Oleanolic acid

InChIkey: MIJYXULNPSFWEK-GTOFXWBISA-N MF: C30H48O3 MW: 456.70
LogP
7.23
HBA
3
HBD
2
TPSA
57.53 Ų
Drug Effect Type
enhances phosphorylation
26612655
reduces phosphorylation
35690101

Drug 267 Aflatoxin m1

InChIkey: MJBWDEQAUQTVKK-IAGOWNOFSA-N MF: C17H12O7 MW: 328.27
LogP
1.38
HBA
7
HBD
1
TPSA
95.20 Ų
Drug Effect Type
reduces phosphorylation
30928695

Drug 268 Flutamide

InChIkey: MKXKFYHWDHIYRV-UHFFFAOYSA-N MF: C11H11F3N2O3 MW: 276.21 Approved
LogP
3.80
HBA
2
HBD
1
TPSA
74.92 Ų
ATC Classification
L02BB01
Drug Effect Type
reduces reactionreduces phosphorylation
20048160

Drug 269 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
reduces reactionmodulates cotreatmentreduces response to substancereduces phosphorylationenhances cleavage
16985072
enhances phosphorylation
21858812
modulates reactionenhances reactionreduces phosphorylation
23036488
modulates cotreatmentdownregulates expression
36565974
modulates cotreatmentreduces phosphorylation
38367245

Drug 270 Dansylcadaverine

InChIkey: MLEBFEHOJICQQS-UHFFFAOYSA-N MF: C17H25N3O2S MW: 335.46
LogP
4.49
HBA
5
HBD
2
TPSA
83.81 Ų
Drug Effect Type
reduces phosphorylation
16170020

Drug 271 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
modulates reactiondownregulates expressionmodulates response to substancereduces phosphorylation
18924134

Drug 272 Swietenine

InChIkey: MMUSWMCGLGFCKL-FFFUMERZSA-N MF: C32H40O9 MW: 568.65
LogP
4.50
HBA
9
HBD
1
TPSA
129.34 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
36880193

Drug 273 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
reduces reactionenhances phosphorylation
17136479

Drug 274 Nobiletin

InChIkey: MRIAQLRQZPPODS-UHFFFAOYSA-N MF: C21H22O8 MW: 402.39
LogP
3.51
HBA
8
TPSA
85.59 Ų
Drug Effect Type
modulates cotreatmentenhances phosphorylation
29687528

Drug 275 Kcc009

InChIkey: MRULUIQNANUWTK-ZVAWYAOSSA-N MF: C21H22BrN3O5 MW: 476.32
LogP
3.06
HBA
8
HBD
3
TPSA
109.25 Ų
Drug Effect Type
reduces phosphorylation
16170020

Drug 276 Glucosamine

InChIkey: MSWZFWKMSRAUBD-IVMDWMLBSA-N MF: C6H13NO5 MW: 179.17 Approved
LogP
-2.55
HBA
6
HBD
5
TPSA
116.17 Ų
ATC Classification
M01AX05
Drug Effect Type
modulates reactionenhances phosphorylationmodulates phosphorylation
18080321
enhances reactionenhances phosphorylation
18340449

Drug 277 2,2',4,6,6'-pentachlorobiphenyl

InChIkey: MTCPZNVSDFCBBE-UHFFFAOYSA-N MF: C12H5Cl5 MW: 326.43
LogP
6.62
Drug Effect Type
enhances reactionenhances phosphorylation
16611624

Drug 278 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
reduces reactionreduces phosphorylation
20048160
enhances phosphorylation
21632903

Drug 279 Prilocaine

InChIkey: MVFGUOIZUNYYSO-UHFFFAOYSA-N MF: C13H20N2O MW: 220.31 Approved
LogP
2.79
HBA
3
HBD
2
TPSA
41.13 Ų
ATC Classification
N01BB04N01BB54
Drug Effect Type
enhances phosphorylation
37561044

Drug 280 Copanlisib

InChIkey: MWYDSXOGIBMAET-UHFFFAOYSA-N MF: C23H28N8O4 MW: 480.52 Approved
LogP
1.34
HBA
12
HBD
2
TPSA
142.01 Ų
ATC Classification
L01EM02
Drug Effect Type
reduces phosphorylation
31445927

Drug 281 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
enhances phosphorylation
18461179
reduces phosphorylation
22378314
reduces reactiondownregulates expressionreduces phosphorylation
27431321

Drug 282 STO 609

InChIkey: MYKOWOGZBMOVBJ-UHFFFAOYSA-N MF: C19H10N2O3 MW: 314.29
LogP
3.29
HBA
5
HBD
1
TPSA
71.67 Ų
Drug Effect Type
reduces reactionenhances reactionmodulates cotreatmentenhances phosphorylationreduces phosphorylation
28634229

Drug 283 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
modulates reactiondownregulates expressionmodulates response to substance
18924134
enhances phosphorylation
19587783
reduces reactionenhances phosphorylation
20153296
modulates reactionenhances reactionenhances phosphorylationmodulates response to substancereduces phosphorylation
23036488
enhances phosphorylation
23144690
enhances phosphorylation
23728938
enhances phosphorylation
26087400
reduces reactionupregulates expressionenhances phosphorylation
26509796
reduces reactionenhances phosphorylation
26974319
enhances reactionenhances phosphorylation
28684144
reduces reactionenhances phosphorylation
29630948
reduces reactionenhances reactionenhances phosphorylation
32298737
reduces reactionmodulates cotreatmentreduces phosphorylation
38528077

Drug 284 Ciprofloxacin

InChIkey: MYSWGUAQZAJSOK-UHFFFAOYSA-N MF: C17H18FN3O3 MW: 331.34 Approved
LogP
1.98
HBA
6
HBD
2
TPSA
74.57 Ų
ATC Classification
J01MA02J01RA10J01RA11... (+4)
Drug Effect Type
enhances phosphorylation
26947806

Drug 285 Methamphetamine

InChIkey: MYWUZJCMWCOHBA-VIFPVBQESA-N MF: C10H15N MW: 149.23 Approved
LogP
2.23
HBA
1
HBD
1
TPSA
12.03 Ų
ATC Classification
N06BA03
Drug Effect Type
modulates cotreatmentenhances phosphorylationmodulates phosphorylation
31270305
modulates reactionenhances phosphorylation
35975811
modulates reactionreduces phosphorylation
38901802

Drug 286 Toosendanin

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

Drug 287 Phosphate

InChIkey: NBIIXXVUZAFLBC-UHFFFAOYSA-K MF: O4P--- MW: 94.97 Experimental
LogP
0.39
HBA
4
TPSA
96.06 Ų
Drug Effect Type
reduces reactionenhances activitymodulates reactionupregulates expressionenhances phosphorylation
16763222
reduces reactionreduces phosphorylation
20048160
modulates response to substance
23308213

Drug 288 Iodixanol

InChIkey: NBQNWMBBSKPBAY-UHFFFAOYSA-N MF: C35H44I6N6O15 MW: 1,550.18 Approved
LogP
-0.02
HBA
21
HBD
13
TPSA
339.09 Ų
ATC Classification
V08AB09
Drug Effect Type
enhances phosphorylation
34774977

Drug 289 Metastat

InChIkey: NBRQRXRBIHVLGI-OWXODZSWSA-N MF: C19H17NO7 MW: 371.34 Investigational
LogP
1.12
HBA
8
HBD
5
TPSA
158.15 Ų
Drug Effect Type
modulates cotreatmentreduces phosphorylation
15688368

Drug 290 Belinostat

InChIkey: NCNRHFGMJRPRSK-MDZDMXLPSA-N MF: C15H14N2O4S MW: 318.35 Approved
LogP
3.55
HBA
6
HBD
3
TPSA
103.88 Ų
ATC Classification
L01XH04
Drug Effect Type
enhances phosphorylation
23671600

Drug 291 Cucurbitacin e

InChIkey: NDYMQXYDSVBNLL-MUYMLXPFSA-N MF: C32H44O8 MW: 556.69
LogP
4.19
HBA
8
HBD
3
TPSA
138.20 Ų
Drug Effect Type
reduces reactionmodulates phosphorylation
27106530

Drug 292 Shikonin

InChIkey: NEZONWMXZKDMKF-SNVBAGLBSA-N MF: C16H16O5 MW: 288.30
LogP
2.12
HBA
5
HBD
3
TPSA
94.83 Ų
Drug Effect Type
reduces phosphorylation
24463199
enhances reactionenhances phosphorylation
28684144

Drug 293 Baohuoside i

InChIkey: NGMYNFJANBHLKA-LVKFHIPRSA-N MF: C27H30O10 MW: 514.52
LogP
2.59
HBA
10
HBD
5
TPSA
159.05 Ų
Drug Effect Type
reduces reactionenhances phosphorylationreduces phosphorylation
25119583

Drug 294 Valproic acid

InChIkey: NIJJYAXOARWZEE-UHFFFAOYSA-N MF: C8H16O2 MW: 144.21 Approved
LogP
2.29
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
N03AG01
Drug Effect Type
upregulates expressionenhances phosphorylation
19440698

Drug 295 Ef-24

InChIkey: NIVYQYSNRUIFIF-KAVGSWPWSA-N MF: C19H15F2NO MW: 311.33
LogP
3.93
HBA
2
HBD
1
TPSA
29.10 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Medium
Affinity: IC50=780nM
Reference: PMID: 23550937
Drug Effect Type
modulates reactionreduces phosphorylation
17684018

Drug 296 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
reduces reactionenhances activity
14990993
enhances phosphorylation
19549922
enhances activity
20372086
reduces reactionreduces phosphorylation
20549698
enhances reactionreduces phosphorylation
22046442
reduces phosphorylation
23921149

Drug 297 Mrk003

InChIkey: NKHUILHBYOOZDF-NCOIWELASA-N MF: C25H31F6N3O2S MW: 551.59 Investigational
LogP
5.84
HBA
5
HBD
1
TPSA
61.03 Ų
Drug Effect Type
modulates reactionreduces phosphorylation
21743969

Drug 298 Gingerol

InChIkey: NLDDIKRKFXEWBK-AWEZNQCLSA-N MF: C17H26O4 MW: 294.39
LogP
3.23
HBA
4
HBD
2
TPSA
66.76 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
27451028

Drug 299 Alisol b 23-acetate

InChIkey: NLOAQXKIIGTTRE-JSWHPQHOSA-N MF: C32H50O5 MW: 514.74
LogP
6.41
HBA
5
HBD
1
TPSA
76.13 Ų
Drug Effect Type
reduces phosphorylation
19533808
downregulates expressionreduces phosphorylation
28408883

Drug 300 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
reduces reactionenhances phosphorylation
22841775

Drug 301 Beta-caryophyllene

InChIkey: NPNUFJAVOOONJE-GFUGXAQUSA-N MF: C15H24 MW: 204.35
LogP
4.73
Drug Effect Type
reduces phosphorylation
34318533

Drug 302 Leptin (150-167) (human)

InChIkey: NRYBAZVQPHGZNS-ZSOCWYAHSA-N MF: C87H138N22O28S2 MW: 2,004.29
LogP
10.31
HBA
51
HBD
30
TPSA
932.26 Ų

Drug 303 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
downregulates expression
16186332
enhances activitymodulates reactionupregulates expression
34624459

Drug 304 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
reduces reactionenhances phosphorylation
15355987
reduces reactionenhances activityenhances phosphorylation
16973122
reduces reactionenhances phosphorylation
19946718

Drug 305 Fenvalerate

InChIkey: NYPJDWWKZLNGGM-UHFFFAOYSA-N MF: C25H22ClNO3 MW: 419.90
LogP
6.68
HBA
4
TPSA
59.32 Ų
Drug Effect Type
modulates cotreatmentenhances phosphorylationupregulates abundance
28949029

Drug 306 Lycopene

InChIkey: OAIJSZIZWZSQBC-GYZMGTAESA-N MF: C40H56 MW: 536.87 Approved
LogP
12.94
Drug Effect Type
reduces phosphorylation
17337101

Drug 307 4-phenylbutyric acid

InChIkey: OBKXEAXTFZPCHS-UHFFFAOYSA-N MF: C10H12O2 MW: 164.20 Approved
LogP
2.09
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
A16AX03
Drug Effect Type
reduces reactionreduces phosphorylation
28245985
reduces reactionenhances phosphorylation
32283200
reduces reactionreduces phosphorylation
36640941
reduces reactionreduces phosphorylation
37148176

Drug 308 Isoorientin

InChIkey: ODBRNZZJSYPIDI-VJXVFPJBSA-N MF: C21H20O11 MW: 448.38
LogP
-0.20
HBA
11
HBD
8
TPSA
201.28 Ų
Drug Effect Type
enhances reactionreduces phosphorylation
24374571

Drug 309 Simazine

InChIkey: ODCWYMIRDDJXKW-UHFFFAOYSA-N MF: C7H12ClN5 MW: 201.66
LogP
1.53
HBA
5
HBD
2
TPSA
62.73 Ų
Drug Effect Type
reduces reactiondownregulates expressionreduces phosphorylation
27431321

Drug 310 Beta-carotene

InChIkey: OENHQHLEOONYIE-JLTXGRSLSA-N MF: C40H56 MW: 536.87 Approved
LogP
12.61
ATC Classification
A11CA02D02BB01
Drug Effect Type
reduces phosphorylation
26733226

Drug 311 Arsenic trichloride

InChIkey: OEYOHULQRFXULB-UHFFFAOYSA-N MF: AsCl3 MW: 181.28
LogP
1.69
Drug Effect Type
reduces reactionenhances activity
22696236
reduces reactionmodulates bindingenhances reactionenhances phosphorylation
25944616

Drug 312 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
enhances phosphorylation
33948356

Drug 313 Alpha-phellandrene

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

Drug 314 Vincristine

InChIkey: OGWKCGZFUXNPDA-XQKSVPLYSA-N MF: C46H56N4O10 MW: 824.96
LogP
4.09
HBA
13
HBD
3
TPSA
171.17 Ų
Drug Effect Type
reduces reactionenhances reactionenhances phosphorylation
16740780

Drug 315 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
reduces reactionmodulates cotreatmentenhances phosphorylation
27634878

Drug 316 Kahweol acetate

InChIkey: OJLWVPDNBQAHRT-PCEBFAEYSA-N MF: C22H28O4 MW: 356.46
LogP
4.29
HBA
4
HBD
1
TPSA
59.67 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
30590137

Drug 317 Zingerone

InChIkey: OJYLAHXKWMRDGS-UHFFFAOYSA-N MF: C11H14O3 MW: 194.23 Experimental
LogP
1.92
HBA
3
HBD
1
TPSA
46.53 Ų
Drug Effect Type
downregulates expressionreduces phosphorylation
32905641

Drug 318 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
reduces reactionreduces phosphorylation
35238236

Drug 319 Aflatoxin b1

InChIkey: OQIQSTLJSLGHID-WNWIJWBNSA-N MF: C17H12O6 MW: 312.27
LogP
2.28
HBA
6
TPSA
74.97 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylation
26084420

Drug 320 Cedrelone

InChIkey: OQMUOVSEPOBWMK-BWLMZZBKSA-N MF: C26H30O5 MW: 422.51
LogP
4.89
HBA
5
HBD
1
TPSA
80.04 Ų
Drug Effect Type
reduces phosphorylation
31857088

Drug 321 Shogaol

InChIkey: OQWKEEOHDMUXEO-BQYQJAHWSA-N MF: C17H24O3 MW: 276.37
LogP
4.04
HBA
3
HBD
1
TPSA
46.53 Ų
Drug Effect Type
modulates reactionmodulates phosphorylation
36341865

Drug 322 Deguelin

InChIkey: ORDAZKGHSNRHTD-UXHICEINSA-N MF: C23H22O6 MW: 394.42
LogP
4.01
HBA
6
TPSA
63.22 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
17015749
reduces phosphorylation
18593368
downregulates expression
19139008
downregulates expressionreduces phosphorylation
19336726
modulates phosphorylation
25322282
reduces phosphorylation
29512685

Drug 323 Nuciferine

InChIkey: ORJVQPIHKOARKV-OAHLLOKOSA-N MF: C19H21NO2 MW: 295.38
LogP
3.39
HBA
3
TPSA
21.70 Ų
Drug Effect Type
reduces phosphorylation
27180984
reduces reactionenhances phosphorylation
35687986
reduces reactionmodulates cotreatmentreduces phosphorylation
38528077

Drug 324 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
reduces phosphorylation
35229981
reduces reactionupregulates expressionreduces phosphorylation
35259468

Drug 325 4-hydroxyisoleucine

InChIkey: OSCCDBFHNMXNME-DSDZBIDZSA-N MF: C6H13NO3 MW: 147.17
LogP
0.12
HBA
4
HBD
3
TPSA
83.55 Ų
Drug Effect Type
enhances phosphorylation
26835874

Drug 326 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
reduces reactionenhances phosphorylation
26974319
reduces reactionmodulates reactionreduces phosphorylation
27113042

Drug 327 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
reduces phosphorylation
19198627
reduces phosphorylation
22351695
reduces phosphorylation
23873848
reduces phosphorylation
25316768
downregulates expressionreduces phosphorylation
25472472
reduces phosphorylation
25580850

Drug 328 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
upregulates expression
20045430

Drug 329 Calcium

InChIkey: OYPRJOBELJOOCE-UHFFFAOYSA-N MF: Ca MW: 40.08 Nutraceutical
LogP
0.00
ATC Classification
A11AA02A11GB01M05BB01... (+4)
Drug Effect Type
modulates response to substancemodulates abundance
16094411
enhances activitymodulates reactionenhances phosphorylation
16236484
reduces reactionmodulates reactionmodulates cotreatmentenhances phosphorylation
28634229

Drug 330 Pennogenin rahamnosyl chacotrioside

InChIkey: OZIHYFWYFUSXIS-HDDFSWBLSA-N MF: C51H82O20 MW: 1,015.18
LogP
0.09
HBA
20
HBD
10
TPSA
294.60 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
27180204

Drug 331 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 reactionenhances phosphorylation
15980035
reduces reactionenhances activityenhances phosphorylationreduces phosphorylation
16236484
reduces reactionenhances phosphorylation
18794807
reduces reactionenhances phosphorylation
27087131

Drug 332 Gold

InChIkey: PCHJSUWPFVWCPO-UHFFFAOYSA-N MF: Au MW: 196.97 Experimental
LogP
-0.00
Drug Effect Type
modulates cotreatmentreduces phosphorylation
27470402

Drug 333 Perfluorodecanoic acid

InChIkey: PCIUEQPBYFRTEM-UHFFFAOYSA-N MF: C10HF19O2 MW: 514.08
LogP
5.72
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
reduces phosphorylation
19135466

Drug 334 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 phosphorylation
16425225
reduces phosphorylation
17472962
reduces reactionenhances phosphorylation
19760159

Drug 335 Cynaroside

InChIkey: PEFNSGRTCBGNAN-QNDFHXLGSA-N MF: C21H20O11 MW: 448.38
LogP
-0.24
HBA
11
HBD
7
TPSA
190.28 Ų
Drug Effect Type
modulates cotreatmentenhances phosphorylation
31157476
reduces phosphorylation
34165247

Drug 336 Diallyl disulfide

InChIkey: PFRGXCVKLLPLIP-UHFFFAOYSA-N MF: C6H10S2 MW: 146.27
LogP
2.74
HBA
2
TPSA
50.60 Ų
Drug Effect Type
enhances phosphorylation
23663050
modulates reactionreduces phosphorylation
38642008

Drug 337 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
reduces phosphorylation
16413414
reduces phosphorylation
39009138

Drug 338 Iodoacetamide

InChIkey: PGLTVOMIXTUURA-UHFFFAOYSA-N MF: C2H4INO MW: 184.96
LogP
0.61
HBA
2
HBD
1
TPSA
43.09 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
33751676

Drug 339 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
reduces reactionenhances phosphorylation
20438634
reduces reactionenhances phosphorylation
22465218
reduces reactionenhances phosphorylation
25590691
reduces reactionenhances phosphorylation
25866363
reduces reactionenhances phosphorylation
30590137
reduces reactionenhances phosphorylation
34144024

Drug 340 Ponatinib

InChIkey: PHXJVRSECIGDHY-UHFFFAOYSA-N MF: C29H27F3N6O MW: 532.56 Approved
LogP
4.40
HBA
7
HBD
1
TPSA
65.77 Ų
ATC Classification
L01EA05
Drug Effect Type
enhances reactionreduces phosphorylation
25053825
reduces phosphorylation
25304212

Drug 341 Tipifarnib

InChIkey: PLHJCIYEEKOWNM-HHHXNRCGSA-N MF: C27H22Cl2N4O MW: 489.40 Investigational
LogP
6.20
HBA
5
HBD
1
TPSA
65.84 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
22315502

Drug 342 Furazolidone

InChIkey: PLHJDBGFXBMTGZ-WEVVVXLNSA-N MF: C8H7N3O5 MW: 225.16 Vet_approved
LogP
1.44
HBA
5
TPSA
100.86 Ų
ATC Classification
G01AX06P01AB51
Drug Effect Type
reduces reactionreduces phosphorylation
26687534

Drug 343 4-aminophenol

InChIkey: PLIKAWJENQZMHA-UHFFFAOYSA-N MF: C6H7NO MW: 109.13 Experimental
LogP
1.56
HBA
2
HBD
2
TPSA
46.25 Ų
Drug Effect Type
reduces phosphorylation
22162043

Drug 344 Methimazole

InChIkey: PMRYVIKBURPHAH-UHFFFAOYSA-N MF: C4H6N2S MW: 114.17 Approved
LogP
1.08
HBA
2
HBD
1
TPSA
52.81 Ų
ATC Classification
H03BB02H03BB52
Drug Effect Type
reduces reactionenhances phosphorylationreduces phosphorylation
29990518

Drug 345 Miltefosine

InChIkey: PQLXHQMOHUQAKB-UHFFFAOYSA-N MF: C21H46NO4P MW: 407.57 Approved
LogP
6.75
HBA
4
TPSA
68.40 Ų
ATC Classification
P01CX04

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Medium
Affinity: IC50=9600nM
Reference: PMID: 23415083
#2
Inhibitor
Medium
Affinity: IC50=9600nM
Reference: PMID: 23415083

Drug 346 Bisdemethoxycurcumin

InChIkey: PREBVFJICNPEKM-YDWXAUTNSA-N MF: C19H16O4 MW: 308.33
LogP
3.35
HBA
4
HBD
2
TPSA
74.60 Ų
Drug Effect Type
downregulates expression
35735092
reduces reactionmodulates cotreatmentenhances phosphorylation
35752269

Drug 347 N-formyl-met-leu-phe

InChIkey: PRQROPMIIGLWRP-BZSNNMDCSA-N MF: C21H31N3O5S MW: 437.55
LogP
3.01
HBA
9
HBD
4
TPSA
149.90 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
15925284
reduces reactionenhances phosphorylation
34144024

Drug 348 Sodium arsenite

InChIkey: PTLRDCMBXHILCL-UHFFFAOYSA-M MF: AsNaO2 MW: 129.91
LogP
-0.62
HBA
2
TPSA
40.13 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
12482858
reduces reactionenhances activityenhances phosphorylation
12614848
modulates cotreatmentreduces phosphorylation
15028728
enhances phosphorylation
17849503
enhances phosphorylation
20043101
modulates cotreatmentenhances phosphorylation
23804311
reduces reactionenhances phosphorylation
24535192
enhances phosphorylation
25804888
enhances reactionenhances phosphorylation
26220687
reduces phosphorylation
29039521
reduces reactionenhances phosphorylation
30191986
reduces reactionenhances reactionenhances phosphorylationupregulates abundance
32062438
reduces reactionupregulates expressionmodulates cotreatmentenhances phosphorylationupregulates abundancereduces cleavage
32802178
reduces reactionenhances phosphorylation
32890875
modulates reactionmodulates activitymodulates expressionmodulates response to substance
33256086
reduces reactionenhances reactionenhances phosphorylationupregulates abundance
33396024
reduces reactionmodulates reactionmodulates cotreatmentreduces phosphorylation
33743404
reduces reactionreduces phosphorylation
34118311
modulates reactionmodulates cotreatmentreduces phosphorylation
34920032
enhances activitymodulates reactionmodulates bindingupregulates expressionenhances reactionenhances phosphorylation
36444808
reduces reactionenhances phosphorylationupregulates abundance
36504884
enhances activitymodulates reactionupregulates expressionenhances phosphorylation
37061066
reduces reactionenhances phosphorylationreduces phosphorylation
37853848
reduces reactionenhances phosphorylationreduces phosphorylation
38734222

Drug 349 Sodium fluoride

InChIkey: PUZPDOWCWNUUKD-UHFFFAOYSA-M MF: FNa MW: 41.99 Approved
LogP
-3.00
ATC Classification
A01AA01A01AA51A12CD01
Drug Effect Type
reduces phosphorylation
21708216

Drug 350 Manganese

InChIkey: PWHULOQIROXLJO-UHFFFAOYSA-N MF: Mn MW: 54.94
LogP
0.00
Drug Effect Type
downregulates expression
17043766
reduces reactionupregulates abundancereduces phosphorylation
31676349

Drug 351 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 reactionreduces activity
12168106
reduces reactionenhances phosphorylation
12614848
reduces reactionenhances degradation
18442981
reduces reactionenhances activityenhances phosphorylation
21055460
reduces reactionenhances phosphorylation
21787718
reduces reactionenhances phosphorylation
22867088
reduces reactionenhances phosphorylation
23000059
reduces reactionenhances phosphorylation
24489685
reduces reactionmodulates localizationenhances phosphorylation
24582688
reduces reactionreduces phosphorylation
24875536
reduces reactionreduces phosphorylation
25939952
reduces reactionenhances phosphorylation
25944616
reduces reactionenhances phosphorylation
26514923
reduces reactionenhances phosphorylation
26942697
reduces reactionmodulates phosphorylation
27106530
reduces reactionreduces phosphorylation
27411387
reduces reactionenhances phosphorylation
28087840
reduces reactionreduces phosphorylation
28600122
reduces reactionreduces phosphorylation
29604266
reduces reactionenhances phosphorylation
30265530
reduces reactionreduces phosphorylation
30452899
reduces reactionreduces phosphorylation
30797898
reduces reactionreduces phosphorylation
30871965
reduces reactionenhances phosphorylation
31068539
modulates cotreatmentenhances phosphorylation
31157476
reduces reactionreduces phosphorylation
32305283
reduces reactionenhances phosphorylation
32745510
reduces reactionreduces phosphorylation
33035517
reduces reactionreduces phosphorylation
34963561
reduces reactionreduces phosphorylation
35130734
reduces reactionreduces phosphorylation
36810933
reduces reactionreduces phosphorylation
37148176
reduces reactionreduces phosphorylation
37751786
reduces reactionreduces phosphorylation
38521250
reduces reactionreduces phosphorylation
38848824

Drug 352 Nickel

InChIkey: PXHVJJICTQNCMI-UHFFFAOYSA-N MF: Ni MW: 58.69
LogP
0.00
Drug Effect Type
enhances phosphorylationupregulates abundance
30724446

Drug 353 Orotic acid

InChIkey: PXQPEWDEAKTCGB-UHFFFAOYSA-N MF: C5H4N2O4 MW: 156.10 Investigational
LogP
-1.24
HBA
4
HBD
3
TPSA
103.02 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
25601987

Drug 354 3-nitrobenzanthrone

InChIkey: QAJOWHGESRCVLY-UHFFFAOYSA-N MF: C17H9NO3 MW: 275.26
LogP
4.48
HBA
1
TPSA
62.89 Ų
Drug Effect Type
modulates reactionupregulates expressionenhances phosphorylation
34036453

Drug 355 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 reactionmodulates cotreatmentenhances phosphorylation
16648635

Drug 356 Phloroglucinol

InChIkey: QCDYQQDYXPDABM-UHFFFAOYSA-N MF: C6H6O3 MW: 126.11 Investigational
LogP
0.80
HBA
3
HBD
3
TPSA
60.69 Ų
ATC Classification
A03AX12
Drug Effect Type
reduces phosphorylation
23178381

Drug 357 Wortmannin

InChIkey: QDLHCMPXEPAAMD-QAIWCSMKSA-N MF: C23H24O8 MW: 428.43 Experimental
LogP
2.54
HBA
8
TPSA
109.11 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
11788791
reduces reactionenhances phosphorylation
12482858
reduces activity
12556562
reduces reactionenhances activityenhances phosphorylation
12614848
reduces phosphorylation
12640124
reduces reactionenhances phosphorylation
14757120
reduces reactionenhances phosphorylation
15050414
reduces reactionenhances activityenhances phosphorylation
15177934
reduces reactionenhances phosphorylation
15355987
reduces reactionenhances activityenhances phosphorylation
15608143
reduces reactionenhances phosphorylation
15980035
reduces phosphorylation
16059913
reduces reactionenhances phosphorylation
16116186
reduces reactionenhances phosphorylation
16499871
reduces reactionenhances phosphorylation
16682453
reduces reactionenhances activityenhances phosphorylation
16973122
reduces reactionenhances phosphorylation
17513037
reduces reactionenhances phosphorylation
17520698
reduces reactionenhances phosphorylation
17550345
reduces reactionenhances phosphorylation
18025287
reduces reactionenhances phosphorylation
18201823
reduces reactionenhances phosphorylation
19139269
reduces reactionenhances phosphorylation
19686714
reduces reactionenhances activityenhances phosphorylation
19801633
enhances reactionreduces phosphorylation
20005289
reduces reactionenhances phosphorylation
20153296
reduces reactionenhances reactionmodulates cotreatmentenhances phosphorylation
20562903
reduces reactionenhances phosphorylation
21742513
reduces reactionenhances phosphorylation
21767602
reduces reactionenhances phosphorylation
22556157
reduces reactionmodulates cotreatmentenhances phosphorylation
23001822
reduces phosphorylation
23178381
reduces reactionenhances phosphorylation
24024143
reduces reactionenhances phosphorylation
24748653
reduces reactionenhances phosphorylation
25002221
reduces phosphorylation
25663935
reduces reactionmodulates cotreatmentenhances phosphorylationenhances chemical synthesis
26262998
reduces reactionenhances phosphorylation
30590302
reduces reactionenhances phosphorylation
30851366
reduces reactionreduces phosphorylation
31173752
reduces phosphorylation
31445927
reduces reactionupregulates expressionmodulates cotreatmentenhances phosphorylationupregulates abundancereduces cleavage
32802178
reduces reactionenhances phosphorylation
33582643
reduces reactionenhances reactionenhances phosphorylation
34077701
reduces reactionenhances phosphorylation
34144024
reduces phosphorylation
35066937
reduces reactionenhances phosphorylation
37051183
reduces reactionmodulates cotreatmentreduces phosphorylation
38528077
enhances reactionreduces phosphorylation
38567545

Drug 358 Hispolon

InChIkey: QDVIEIMMEUCFMW-QXYPORFMSA-N MF: C12H12O4 MW: 220.22
LogP
2.14
HBA
4
HBD
3
TPSA
77.76 Ų
Drug Effect Type
reduces phosphorylation
27037602

Drug 359 Bufalin

InChIkey: QEEBRPGZBVVINN-BMPKRDENSA-N MF: C24H34O4 MW: 386.52
LogP
4.24
HBA
4
HBD
2
TPSA
70.67 Ų
Drug Effect Type
downregulates expressionenhances phosphorylation
23949904
reduces phosphorylation
36924737

Drug 360 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
modulates cotreatmentreduces phosphorylation
18622747
reduces reactionenhances phosphorylationreduces phosphorylation
19176369
reduces reactionupregulates expressionenhances phosphorylation
21092744
reduces phosphorylation
21976531
reduces reactionenhances phosphorylation
23000059
reduces reactionenhances phosphorylation
24304514
reduces reactionenhances phosphorylation
24392034
modulates cotreatmentreduces phosphorylationmodulates phosphorylation
25758096
enhances phosphorylation
26282490
modulates reactionmodulates phosphorylation
37290678

Drug 361 1,4-phenylenebis(methylene)selenocyanate

InChIkey: QFTBWTJGZHUOAW-UHFFFAOYSA-N MF: C10H8N2Se2 MW: 314.10
LogP
1.59
HBA
2
TPSA
47.58 Ų
Drug Effect Type
downregulates expression
16399772

Drug 362 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
15358673
reduces reactionenhances activityenhances phosphorylation
15608143
reduces reactionmodulates cotreatmentdownregulates expression
15867384
reduces reactionenhances reactionenhances phosphorylation
32298737

Drug 363 Diphenyleneiodonium

InChIkey: QFXKXRXFBRLLPQ-UHFFFAOYSA-N MF: C12H8I+ MW: 279.10 Investigational
LogP
-0.20
Drug Effect Type
reduces reactionenhances phosphorylation
26514923

Drug 364 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
reduces reactionenhances phosphorylation
16077934

Drug 365 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 expressionmodulates cotreatmentdownregulates expression
32305283
reduces reactionmodulates cotreatmentdownregulates expression
34963561

Drug 366 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
modulates reactionmodulates expression
26504004
reduces phosphorylation
28392768
reduces reactionenhances phosphorylation
33817834
downregulates expressionreduces phosphorylation
34575494
reduces reactionmodulates reactionreduces phosphorylation
36810933

Drug 367 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
reduces reactionreduces phosphorylation
37148176

Drug 368 Sonolisib

InChIkey: QIUASFSNWYMDFS-NILGECQDSA-N MF: C29H35NO8 MW: 525.59 Investigational
LogP
3.13
HBA
9
HBD
1
TPSA
119.44 Ų
Drug Effect Type
reduces reactionenhances reactionmodulates cotreatmentenhances phosphorylationreduces phosphorylation
28634229

Drug 369 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
modulates cotreatmentreduces phosphorylation
29374705

Drug 370 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
reduces reactionenhances activityreduces activityenhances phosphorylationreduces phosphorylation
16236484

Drug 371 Pyrvinium

InChIkey: QMHSXPLYMTVAMK-UHFFFAOYSA-N MF: C26H28N3+ MW: 382.52 Approved
LogP
5.31
HBA
2
TPSA
12.05 Ų
ATC Classification
P02CX01
Drug Effect Type
reduces phosphorylation
27542212

Drug 372 Nickel-63(ii) chloride

InChIkey: QMMRZOWCJAIUJA-UHFFFAOYSA-L MF: Cl2Ni MW: 129.60
LogP
1.38
Drug Effect Type
reduces reactionreduces activityenhances phosphorylation
21837363
reduces response to substance
23828460
enhances reactionenhances phosphorylation
25614230
enhances phosphorylationupregulates abundance
30724446

Drug 373 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
reduces reactionreduces phosphorylation
16059913
reduces reactiondownregulates expression
19261616
reduces reactionmodulates bindingenhances reactionreduces phosphorylation
21655183
reduces phosphorylation
38832940

Drug 374 6,7-dimethoxy-3-phenylquinoxaline

InChIkey: QNOXYUNHIGOWNY-UHFFFAOYSA-N MF: C16H14N2O2 MW: 266.29
LogP
3.31
HBA
4
TPSA
44.24 Ų
Drug Effect Type
reduces phosphorylation
16236484
reduces reactionenhances phosphorylation
25896968

Drug 375 4-hydroxyestradiol

InChIkey: QOZFCKXEVSGWGS-ZHIYBZGJSA-N MF: C18H24O3 MW: 288.38
LogP
3.31
HBA
3
HBD
3
TPSA
60.69 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
15050414

Drug 376 Albiflorin

InChIkey: QQUHMASGPODSIW-ICECTASOSA-N MF: C23H28O11 MW: 480.46
LogP
-1.51
HBA
11
HBD
5
TPSA
172.21 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylation
37523837

Drug 377 NVP-TAE684

InChIkey: QQWUGDVOUVUTOY-UHFFFAOYSA-N MF: C30H40ClN7O3S MW: 614.20
LogP
6.19
HBA
8
HBD
2
TPSA
111.31 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
22553343

Drug 378 Carnosic acid

InChIkey: QRYRORQUOLYVBU-VBKZILBWSA-N MF: C20H28O4 MW: 332.43
LogP
4.32
HBA
4
HBD
3
TPSA
77.76 Ų
Drug Effect Type
reduces phosphorylation
25178877
enhances phosphorylation
25271104

Drug 379 Arsenic trioxide

InChIkey: QTLQKAJBUDWPIB-UHFFFAOYSA-N MF: As2O3 MW: 197.84
LogP
-0.44
HBD
2
Drug Effect Type
reduces reactionreduces activityreduces phosphorylation
12168106
reduces phosphorylation
16434995
enhances activityenhances phosphorylation
16882451
modulates cotreatmentdownregulates expression
17077332
reduces response to substance
18048359
reduces reactionmodulates bindingenhances reactionreduces activitydownregulates expressionreduces response to substancemodulates stability
18566239
enhances activityenhances reactionreduces activity
19457607
enhances activityenhances phosphorylation
20200477
reduces reactionmodulates reactionreduces activityreduces phosphorylation
20534739
enhances reactionreduces phosphorylation
20605902
enhances reactionreduces phosphorylation
20657188
enhances activitymodulates reactionupregulates expressionenhances phosphorylation
20862710
reduces reactionenhances activityenhances phosphorylation
21078540
enhances reactionreduces phosphorylation
21594580
upregulates expressionenhances reaction
21649584
reduces reactionmodulates bindingupregulates expressionenhances reactionreduces activityreduces phosphorylation
21655183
reduces reactionenhances phosphorylation
21889928
reduces reactionmodulates reactionenhances phosphorylation
24392034
reduces reactionenhances phosphorylation
24762191
reduces phosphorylation
25449439
modulates cotreatmentreduces phosphorylation
25758096
reduces reactionenhances phosphorylation
25791921
enhances phosphorylation
29266867
enhances reactiondownregulates expression
30093655
reduces reactionreduces phosphorylation
30362509
reduces reactionenhances reactionmodulates cotreatmentdownregulates expressionenhances phosphorylationreduces phosphorylation
32305283
modulates reactionmodulates localizationenhances phosphorylation
35714947

Drug 380 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
modulates cotreatmentdownregulates expression
15781649
reduces reactionenhances phosphorylationreduces phosphorylation
17293044
downregulates expressionreduces phosphorylation
19167484
downregulates expression
24211270
reduces phosphorylation
24450340

Drug 381 Agmatine

InChIkey: QYPPJABKJHAVHS-UHFFFAOYSA-N MF: C5H14N4 MW: 130.19 Experimental
LogP
1.10
HBA
4
HBD
3
TPSA
90.42 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
35747990

Drug 382 Clozapine

InChIkey: QZUDBNBUXVUHMW-UHFFFAOYSA-N MF: C18H19ClN4 MW: 326.82 Approved
LogP
3.17
HBA
3
HBD
1
TPSA
30.87 Ų
ATC Classification
N05AH02
Drug Effect Type
upregulates expressionenhances phosphorylation
19440698

Drug 383 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
enhances activitymodulates reactionenhances cleavage
10075725
reduces reactionenhances activity
16211241
reduces response to substance
16782806
reduces phosphorylation
17404021
modulates response to substance
18071906
modulates cotreatmentreduces phosphorylation
18516295
enhances phosphorylation
19426673
modulates bindingmodulates cotreatmentreduces response to substance
20361045
reduces phosphorylation
23956100
enhances phosphorylation
27769712
reduces phosphorylation
36683349

Drug 384 Biliverdine ix alpha

InChIkey: RCNSAJSGRJSBKK-NSQVQWHSSA-N MF: C33H34N4O6 MW: 582.65 Experimental
LogP
2.82
HBA
8
HBD
5
TPSA
164.71 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
18215737

Drug 385 Endosulfan

InChIkey: RDYMFSUJUZBWLH-UHFFFAOYSA-N MF: C9H6Cl6O3S MW: 406.93
LogP
4.56
HBA
3
TPSA
54.74 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
32044604

Drug 386 Quercetin

InChIkey: REFJWTPEDVJJIY-UHFFFAOYSA-N MF: C15H10O7 MW: 302.24 Investigational
LogP
1.99
HBA
7
HBD
5
TPSA
131.36 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Medium
Affinity: IC50=5390nM
Reference: PMID: 24328302
Drug Effect Type
downregulates expression
12653748
reduces reactionenhances phosphorylationreduces phosphorylation
12888923
downregulates expressionreduces phosphorylation
14688022
reduces phosphorylation
15741050
reduces phosphorylation
15829497
enhances reactionreduces phosphorylation
16082193
reduces reactionenhances phosphorylation
16619521
reduces phosphorylation
16794257
reduces phosphorylation
17973296
reduces reactionmodulates cotreatmentenhances phosphorylation
18359480
reduces activityreduces phosphorylation
18455702
reduces phosphorylation
18655187
reduces reactionenhances phosphorylation
19244381
reduces phosphorylation
19344998
reduces reactionenhances activityenhances phosphorylation
19464278
reduces reactionenhances phosphorylation
20153296
reduces reactionmodulates localizationupregulates expressiondownregulates expressionreduces phosphorylationenhances cleavage
20386985
reduces reactionenhances phosphorylationreduces phosphorylation
20438634
modulates cotreatmentreduces phosphorylation
20658310
reduces phosphorylation
22555976
reduces reactionenhances phosphorylationreduces phosphorylation
23094058
reduces phosphorylation
23353698
modulates phosphorylation
24001813
enhances phosphorylation
24275163
downregulates expression
24299158
enhances reactionmodulates cotreatmentdownregulates expressionreduces phosphorylation
25380086
enhances reactionmodulates cotreatmentreduces phosphorylation
25655047
reduces reactionmodulates cotreatmentreduces phosphorylation
26011145
enhances phosphorylation
26986492
modulates cotreatmentreduces phosphorylation
27470402
reduces reactionreduces phosphorylation
32329368
reduces phosphorylation
36044117
enhances phosphorylation
37690812
reduces phosphorylation
38134066

Drug 387 3,4,5,3',4'-pentachlorobiphenyl

InChIkey: REHONNLQRWTIFF-UHFFFAOYSA-N MF: C12H5Cl5 MW: 326.43
LogP
6.62
Drug Effect Type
enhances reactionenhances phosphorylation
24709675

Drug 388 Cannabidivarin

InChIkey: REOZWEGFPHTFEI-JKSUJKDBSA-N MF: C19H26O2 MW: 286.41 Investigational
LogP
5.07
HBA
2
HBD
2
TPSA
40.46 Ų
Drug Effect Type
reduces phosphorylation
38748041

Drug 389 Emodin

InChIkey: RHMXXJGYXNZAPX-UHFFFAOYSA-N MF: C15H10O5 MW: 270.24 Investigational
LogP
1.89
HBA
5
HBD
3
TPSA
94.83 Ų
Drug Effect Type
modulates cotreatmentdownregulates expression
17077332
reduces reactionenhances phosphorylation
23848338
enhances reactionreduces phosphorylation
27032576

Drug 390 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
reduces reactionenhances phosphorylation
15358673

Drug 391 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
reduces reactionenhances activity
20215516
reduces reactionenhances phosphorylation
26792726

Drug 392 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
enhances activityenhances reactionenhances phosphorylation
14640974

Drug 393 Aucubin

InChIkey: RJWJHRPNHPHBRN-FKVJWERZSA-N MF: C15H22O9 MW: 346.33
LogP
-2.80
HBA
9
HBD
6
TPSA
149.07 Ų
Drug Effect Type
enhances phosphorylation
29408431

Drug 394 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
reduces reactionmodulates reactionreduces phosphorylation
12807996
enhances phosphorylation
18556572
modulates cotreatmentreduces phosphorylation
35920412

Drug 395 Avermectin

InChIkey: RRZXIRBKKLTSOM-VDYLCOMISA-N MF: C48H72O14 MW: 873.08
LogP
5.38
HBA
14
HBD
3
TPSA
170.06 Ų
Drug Effect Type
reduces phosphorylation
33381906

Drug 396 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
reduces reactionreduces activityreduces phosphorylation
16215670
reduces phosphorylation
18455702
reduces reactionupregulates expressionreduces phosphorylation
24122885
reduces phosphorylation
30578657

Drug 397 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
modulates cotreatmentreduces activity
15781658
reduces reactionupregulates expressionenhances phosphorylation
26509796

Drug 398 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 phosphorylation
19073151

Drug 399 Anethole

InChIkey: RUVINXPYWBROJD-ONEGZZNKSA-N MF: C10H12O MW: 148.20 Approved
LogP
2.73
HBA
1
TPSA
9.23 Ų
Drug Effect Type
reduces phosphorylation
21212515

Drug 400 Ganetespib

InChIkey: RVAQIUULWULRNW-UHFFFAOYSA-N MF: C20H20N4O3 MW: 364.40 Investigational
LogP
3.25
HBA
6
HBD
3
TPSA
96.07 Ų
Drug Effect Type
downregulates expressionreduces phosphorylation
24784839

Drug 401 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
reduces reactionenhances phosphorylation
25002221
reduces reactionreduces phosphorylation
30287338
enhances phosphorylation
31154016

Drug 402 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
reduces reactionenhances activityenhances phosphorylation
17640567
reduces reactionenhances phosphorylation
24015256

Drug 403 Ginsenoside rg3

InChIkey: RWXIFXNRCLMQCD-JBVRGBGGSA-N MF: C42H72O13 MW: 785.01
LogP
2.15
HBA
13
HBD
9
TPSA
218.99 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
39579577

Drug 404 N-(3-methoxyphenyl)-4-chlorocinnamanilide

InChIkey: RYAMDQKWNKKFHD-JXMROGBWSA-N MF: C16H14ClNO2 MW: 287.74
LogP
4.07
HBA
3
HBD
1
TPSA
38.33 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
28025122

Drug 405 Copper

InChIkey: RYGMFSIKBFXOCR-UHFFFAOYSA-N MF: Cu MW: 63.55 Approved
LogP
-0.00
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylation
16648635
reduces reactionenhances activityenhances phosphorylation
16973122
modulates bindingdownregulates expression
25167922
modulates bindingreduces phosphorylation
30911355

Drug 406 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
reduces reactionenhances activityenhances phosphorylation
12438947
downregulates expressionreduces phosphorylation
18031796
reduces phosphorylation
20060890
enhances reactionreduces phosphorylation
20464445
reduces reactionenhances reactionmodulates cotreatmentenhances phosphorylation
20562903
enhances phosphorylation
20594940
reduces activity
21059805
modulates cotreatmentreduces phosphorylation
25412314

Drug 407 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
18201823
reduces reactiondownregulates expressionenhances phosphorylationreduces phosphorylation
21081844
reduces phosphorylation
21561856

Drug 408 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
reduces activityreduces response to substancereduces phosphorylation
10753955
reduces phosphorylation
12000750
reduces phosphorylation
12464646
downregulates expression
14654083
enhances phosphorylation
15499625
modulates cotreatmentreduces phosphorylation
15688368
reduces phosphorylation
17257745
enhances phosphorylation
17270149
reduces activity
17285134
modulates cotreatmentreduces phosphorylation
18172863
reduces reactionenhances activityenhances phosphorylationreduces response to substance
19201774

Drug 409 Sbxwflishpuiny-uhfffaoysa-n

InChIkey: SBXWFLISHPUINY-UHFFFAOYSA-N MF: C18H15Sn MW: 350.01
LogP
2.20
Drug Effect Type
reduces phosphorylation
31765896

Drug 410 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
modulates response to substance
15867245
modulates cotreatmentreduces phosphorylation
29782821

Drug 411 Antrocin

InChIkey: SDYJYMBMSYYZIC-UHFFFAOYSA-N MF: C15H22O2 MW: 234.33
LogP
3.32
HBA
2
TPSA
26.30 Ų
Drug Effect Type
modulates cotreatmentdownregulates expressionreduces phosphorylation
36565974

Drug 412 Crocin

InChIkey: SEBIKDIMAPSUBY-RTJKDTQDSA-N MF: C44H64O24 MW: 976.96 Investigational
LogP
-5.23
HBA
24
HBD
14
TPSA
391.20 Ų
Drug Effect Type
enhances phosphorylation
37406755

Drug 413 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
reduces response to substance
12556562
enhances phosphorylation
16043647
reduces reactionupregulates expression
16417524
reduces activity
16456186
enhances activityupregulates expressionenhances reactionenhances phosphorylation
16617325
reduces phosphorylation
17259349
reduces reactionenhances phosphorylation
17293044
reduces reactionreduces phosphorylation
19038232
reduces reactionenhances phosphorylation
19176369
enhances reactionenhances phosphorylation
25614230
enhances reactiondownregulates expression
30093655
reduces reactionmodulates cotreatmentdownregulates expression
37409350

Drug 414 Alitretinoin

InChIkey: SHGAZHPCJJPHSC-ZVCIMWCZSA-N MF: C20H28O2 MW: 300.44 Approved
LogP
5.60
HBA
2
HBD
1
TPSA
37.30 Ų
ATC Classification
D11AH04L01XF02
Drug Effect Type
reduces phosphorylation
16340750

Drug 415 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
reduces reactionenhances activityenhances phosphorylation
12511591
reduces reactionupregulates expression
20727180
modulates reactionmodulates phosphorylation
24095863
enhances phosphorylation
30836163
modulates reactionenhances phosphorylation
34171359
reduces reactionmodulates reactionenhances phosphorylation
35929799

Drug 416 Methanandamide

InChIkey: SQKRUBZPTNJQEM-FQPARAGTSA-N MF: C23H39NO2 MW: 361.56
LogP
6.02
HBA
3
HBD
2
TPSA
49.33 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
12834810

Drug 417 Tylophorine

InChIkey: SSEUDFYBEOIWGF-AWEZNQCLSA-N MF: C24H27NO4 MW: 393.48
LogP
4.49
HBA
5
TPSA
40.16 Ų
Drug Effect Type
reduces reactionenhances activity
19284764

Drug 418 Dexanabinol

InChIkey: SSQJFGMEZBFMNV-PMACEKPBSA-N MF: C25H38O3 MW: 386.57 Investigational
LogP
6.22
HBA
3
HBD
2
TPSA
49.69 Ų
Drug Effect Type
reduces activityreduces phosphorylation
19509271

Drug 419 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
reduces response to substance
22252735
reduces reactionmodulates cotreatmentdownregulates expressionreduces phosphorylation
34963561

Drug 420 PD-0325901

InChIkey: SUDAHWBOROXANE-SECBINFHSA-N MF: C16H14F3IN2O4 MW: 482.19 Investigational
LogP
2.93
HBA
5
HBD
4
TPSA
90.82 Ų
Drug Effect Type
enhances reactionreduces phosphorylation
22415236
modulates cotreatmentreduces phosphorylation
25798061
reduces reactionmodulates cotreatmentenhances phosphorylation
27634878

Drug 421 Sulforaphane

InChIkey: SUVMJBTUFCVSAD-UHFFFAOYSA-N MF: C6H11NOS2 MW: 177.29
LogP
2.11
HBA
3
TPSA
80.73 Ų
Drug Effect Type
enhances activityenhances phosphorylation
15896333
reduces reactionreduces phosphorylation
29407470
enhances phosphorylation
30965051

Drug 422 Triptonide

InChIkey: SWOVVKGLGOOUKI-ZHGGVEMFSA-N MF: C20H22O6 MW: 358.39
LogP
1.31
HBA
6
TPSA
80.96 Ų
Drug Effect Type
downregulates expressionreduces phosphorylation
28666825

Drug 423 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
modulates phosphorylation
32125059

Drug 424 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 reactionreduces phosphorylation
25939952

Drug 425 Perifosine

InChIkey: SZFPYBIJACMNJV-UHFFFAOYSA-N MF: C25H52NO4P MW: 461.66 Investigational
LogP
8.02
HBA
4
TPSA
68.40 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Medium
Affinity: IC50=5300nM
Reference: PMID: 23415083
Drug Effect Type
modulates cotreatmentreduces activity
15781658
reduces reactionenhances phosphorylation
30265530
reduces phosphorylation
31445927

Drug 426 alpha-cyano-(3,4-dihydroxy)-N-benzylcinnamide

InChIkey: TUCIOBMMDDOEMM-RIYZIHGNSA-N MF: C17H14N2O3 MW: 294.30
LogP
2.71
HBA
5
HBD
3
TPSA
93.35 Ų
Drug Effect Type
reduces phosphorylation
20197088

Drug 427 Olaquindox

InChIkey: TURHTASYUMWZCC-UHFFFAOYSA-N MF: C12H13N3O4 MW: 263.25
LogP
0.32
HBA
6
HBD
2
TPSA
102.78 Ų
Drug Effect Type
modulates reactionenhances phosphorylation
28757460

Drug 428 Corilagin

InChIkey: TUSDEZXZIZRFGC-XIGLUPEJSA-N MF: C27H22O18 MW: 634.45
LogP
-0.30
HBA
18
HBD
11
TPSA
310.66 Ų
Drug Effect Type
downregulates expression
35084093

Drug 429 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 phosphorylationreduces phosphorylation
19176369
modulates bindingreduces response to substance
20361045
reduces phosphorylation
21994956
reduces phosphorylation
23300809

Drug 430 Stf 083010

InChIkey: TVIVJHZHPKNDAQ-MHWRWJLKSA-N MF: C15H11NO3S2 MW: 317.38
LogP
4.50
HBA
5
HBD
1
TPSA
103.35 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
32283200

Drug 431 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 reactionenhances activity
15710601
enhances reactionreduces phosphorylation
20005289
reduces reactionenhances activityenhances phosphorylation
28303407
reduces phosphorylation
34824590
reduces phosphorylation
35899176
downregulates expressionreduces phosphorylation
38878560

Drug 432 Afimoxifene

InChIkey: TXUZVZSFRXZGTL-QPLCGJKRSA-N MF: C26H29NO2 MW: 387.51 Investigational
LogP
5.70
HBA
3
HBD
1
TPSA
32.70 Ų
Drug Effect Type
reduces response to substance
18351453
enhances phosphorylation
19549922

Drug 433 benzyloxycarbonyl-isoleucyl-glutamyl(O-tert-butyl)-alanyl-leucinal

InChIkey: TYFTWYMXUWCOOB-YICLCXKGSA-N MF: C32H50N4O8 MW: 618.76
LogP
4.73
HBA
12
HBD
4
TPSA
169.00 Ų
Drug Effect Type
reduces reactionenhances degradation
18442981

Drug 434 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
reduces phosphorylation
15829497
modulates binding
16789737
reduces reactionreduces phosphorylation
19038232
reduces reactionenhances activityenhances phosphorylationreduces phosphorylation
21078540
reduces reactionenhances phosphorylation
23933164
downregulates expression
24299158
reduces reactionenhances phosphorylation
24933099
reduces reactionenhances phosphorylationupregulates abundance
33396024

Drug 435 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone

InChIkey: TZEQDSMFACWASC-MDZDMXLPSA-N MF: C18H18O4 MW: 298.33
LogP
3.62
HBA
4
HBD
2
TPSA
66.76 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
38521250

Drug 436 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
reduces reactionenhances degradation
18442981
enhances phosphorylation
24085292
modulates reactionmodulates expression
33256086
reduces reactionmodulates cotreatmentenhances ubiquitination
36807944

Drug 437 Diallyl trisulfide

InChIkey: UBAXRAHSPKWNCX-UHFFFAOYSA-N MF: C6H10S3 MW: 178.34
LogP
3.39
HBA
3
TPSA
75.90 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
22020565
enhances phosphorylation
23663050
reduces phosphorylation
23754639
downregulates expression
24415872
reduces reactionenhances phosphorylation
24489685
reduces phosphorylation
27566995
reduces reactiondownregulates expressionreduces phosphorylation
33751676

Drug 438 Bazedoxifene

InChIkey: UCJGJABZCDBEDK-UHFFFAOYSA-N MF: C30H34N2O3 MW: 470.60 Approved
LogP
6.27
HBA
5
HBD
2
TPSA
57.86 Ų
ATC Classification
G03CC07G03XC02
Drug Effect Type
reduces reactionenhances phosphorylation
35007301

Drug 439 Epinephrine

InChIkey: UCTWMZQNUQWSLP-VIFPVBQESA-N MF: C9H13NO3 MW: 183.20 Approved
LogP
0.74
HBA
4
HBD
4
TPSA
72.72 Ų
ATC Classification
A01AD01B02BC09C01CA24... (+5)
Drug Effect Type
modulates cotreatmentenhances phosphorylation
32305330

Drug 440 Thalidomide

InChIkey: UEJJHQNACJXSKW-UHFFFAOYSA-N MF: C13H10N2O4 MW: 258.23 Approved
LogP
0.35
HBA
6
HBD
1
TPSA
83.55 Ų
ATC Classification
L04AX02
Drug Effect Type
reduces activity
15067094
enhances phosphorylationreduces phosphorylation
15858615

Drug 441 Methaneseleninic acid

InChIkey: UEQANLFPOFICBH-UHFFFAOYSA-N MF: CH4O2Se MW: 127.00
LogP
-0.09
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
reduces response to substancereduces phosphorylation
15845651
reduces reactionenhances response to substancemodulates cotreatmentenhances phosphorylationenhances degradationreduces phosphorylation
17339365

Drug 442 Carbon monoxide

InChIkey: UGFAIRIUMAVXCW-UHFFFAOYSA-N MF: CO MW: 28.01 Approved
LogP
-0.21
HBA
1
ATC Classification
V04CX08
Drug Effect Type
reduces reactionreduces phosphorylation
18215737

Drug 443 Vandetanib

InChIkey: UHTHHESEBZOYNR-UHFFFAOYSA-N MF: C22H24BrFN4O2 MW: 475.35 Approved
LogP
5.02
HBA
5
HBD
1
TPSA
59.51 Ų
ATC Classification
L01EX04
Drug Effect Type
reduces reactionreduces phosphorylation
23799852

Drug 444 Lestaurtinib

InChIkey: UIARLYUEJFELEN-LROUJFHJSA-N MF: C26H21N3O4 MW: 439.46 Investigational
LogP
3.80
HBA
7
HBD
3
TPSA
88.65 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Very Low
Affinity: Kd=4400nM
Reference: PMID: 19654408
#2
Very Low
Affinity: Kd=4400nM
Reference: PMID: 22037378

Drug 445 Cotinine

InChIkey: UIKROCXWUNQSPJ-VIFPVBQESA-N MF: C10H12N2O MW: 176.22
LogP
1.31
HBA
3
TPSA
33.20 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
22687995

Drug 446 Mk-2206

InChIkey: ULDXWLCXEDXJGE-UHFFFAOYSA-N MF: C25H21N5O MW: 407.47 Investigational
LogP
4.94
HBA
5
HBD
2
TPSA
89.07 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
High
Affinity: Kd=9e+1nM
Reference: PMID: 24959717
#2
Active
Medium
Affinity: Kd=11nM
Reference: PMID: 29191878
#3
Medium
Affinity: IC50=10nM
Reference: PMID: 24900862
#4
Medium
Affinity: IC50=6nM
Reference: PMID: 24959717
#5
Medium
Affinity: IC50=8nM
Reference: PMID: 33539089
#6
Medium
Affinity: IC50=8nM
Reference: PMID: 20166671
Drug Effect Type
reduces phosphorylation
22885370
reduces reactionenhances phosphorylation
24685774
reduces reactionmodulates cotreatmentenhances phosphorylation
27634878
reduces activityreduces phosphorylation
27897231
modulates cotreatmentreduces phosphorylation
30502394
reduces phosphorylation
31445927
reduces reactionenhances phosphorylation
31476254
reduces reactionenhances phosphorylation
34758370

Drug 447 Crocidolite

InChIkey: ULEFFCDROVNTRO-UHFFFAOYSA-N MF: Fe2H16Mg3Na2O24Si8++++++++++++++ MW: 855.38
LogP
-12.91
HBA
24
HBD
16
TPSA
460.24 Ų
Drug Effect Type
downregulates expressionreduces phosphorylation
17191120
reduces reactionenhances activity
17322126

Drug 448 Afatinib

InChIkey: ULXXDDBFHOBEHA-CWDCEQMOSA-N MF: C24H25ClFN5O3 MW: 485.94 Approved
LogP
4.54
HBA
7
HBD
2
TPSA
88.61 Ų
ATC Classification
L01EB03
Drug Effect Type
modulates reactionmodulates response to substanceenhances cleavage
36460225

Drug 449 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
modulates cotreatmentreduces phosphorylation
37005939

Drug 450 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 phosphorylation
15576458
reduces reactionmodulates cotreatmentenhances phosphorylation
23111315

Drug 451 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
reduces phosphorylation
19174558

Drug 452 Plitidepsin

InChIkey: UUSZLLQJYRSZIS-LXNNNBEUSA-N MF: C57H87N7O15 MW: 1,110.34 Investigational
LogP
3.39
HBA
22
HBD
4
TPSA
284.74 Ų
ATC Classification
L01XX57
Drug Effect Type
enhances activitymodulates reactionenhances phosphorylation
18089842

Drug 453 Abemaciclib

InChIkey: UZWDCWONPYILKI-UHFFFAOYSA-N MF: C27H32F2N8 MW: 506.59 Approved
LogP
4.89
HBA
7
HBD
1
TPSA
75.00 Ų
ATC Classification
L01EF03
Drug Effect Type
reduces activityreduces phosphorylation
26909611

Drug 454 Galangin

InChIkey: VCCRNZQBSJXYJD-UHFFFAOYSA-N MF: C15H10O5 MW: 270.24
LogP
2.58
HBA
5
HBD
3
TPSA
90.90 Ų
Drug Effect Type
reduces phosphorylation
18455702

Drug 455 Plumbagin

InChIkey: VCMMXZQDRFWYSE-UHFFFAOYSA-N MF: C11H8O3 MW: 188.18 Investigational
LogP
1.72
HBA
3
HBD
1
TPSA
54.37 Ų
Drug Effect Type
enhances phosphorylation
20028456
reduces phosphorylation
36336213

Drug 456 Melittin

InChIkey: VDXZNPDIRNWWCW-UHFFFAOYSA-N MF: C131H229N39O31 MW: 2,846.46
LogP
7.52
HBA
69
HBD
41
TPSA
1,152.34 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
22926441

Drug 457 Ceritinib

InChIkey: VERWOWGGCGHDQE-UHFFFAOYSA-N MF: C28H36ClN5O3S MW: 558.14 Approved
LogP
7.92
HBA
6
HBD
3
TPSA
113.62 Ų
ATC Classification
L01ED02
Drug Effect Type
downregulates expressionreduces phosphorylation
35803438

Drug 458 Chloride

InChIkey: VEXZGXHMUGYJMC-UHFFFAOYSA-M MF: Cl- MW: 35.45 Experimental
LogP
-3.00
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylationenhances chemical synthesis
26262998

Drug 459 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
reduces activity
16023083
reduces reactionenhances activityenhances phosphorylation
16219905
reduces phosphorylation
17289836
reduces reactionenhances activityenhances phosphorylation
17291458
reduces phosphorylation
17332930
reduces phosphorylation
17596214
reduces reactionenhances activityenhances phosphorylation
17640567
enhances reactionreduces activitydownregulates expressionreduces phosphorylation
17918158
reduces reactionenhances phosphorylation
18214481
reduces reactionenhances phosphorylation
18660423
reduces reactionreduces phosphorylation
18790744
reduces phosphorylation
19372569
enhances reactionreduces phosphorylation
20605902
reduces reactionupregulates expression
20727180
reduces reactionenhances phosphorylation
20938987
upregulates expression
23222814
reduces phosphorylation
23555722
downregulates expression
24211270
reduces phosphorylation
24365254
reduces reactionenhances phosphorylation
24831732
reduces phosphorylation
34634291
reduces reactionmodulates cotreatmentenhances phosphorylation
35752269
reduces reactionmodulates bindingdownregulates expressionenhances phosphorylationreduces phosphorylation
36640941
modulates reactionreduces phosphorylation
37471645

Drug 460 Wp1066

InChIkey: VFUAJMPDXIRPKO-LQELWAHVSA-N MF: C17H14BrN3O MW: 356.22 Investigational
LogP
4.02
HBA
4
HBD
1
TPSA
65.78 Ų
Drug Effect Type
reduces phosphorylation
18056455

Drug 461 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 bindingdownregulates expression
34896434

Drug 462 1-(4-(6-bromobenzo(1,3)dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinolin-8-yl)ethanone

InChIkey: VHSVKVWHYFBIFJ-HKZYLEAXSA-N MF: C21H18BrNO3 MW: 412.28
LogP
5.34
HBA
4
HBD
1
TPSA
47.56 Ų
Drug Effect Type
enhances reactionenhances phosphorylation
28882636

Drug 463 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
reduces reactionenhances response to substance
17699715
reduces reactionenhances activityenhances phosphorylation
17935137
modulates reactionenhances phosphorylation
23396362
enhances phosphorylation
27769712

Drug 464 Pterostilbene

InChIkey: VLEUZFDZJKSGMX-ONEGZZNKSA-N MF: C16H16O3 MW: 256.30
LogP
3.58
HBA
3
HBD
1
TPSA
38.69 Ų
Drug Effect Type
reduces activityreduces phosphorylation
24154491
enhances phosphorylation
31139082

Drug 465 Mollugin

InChIkey: VLGATXOTCNBWIT-UHFFFAOYSA-N MF: C17H16O4 MW: 284.31
LogP
3.52
HBA
4
HBD
1
TPSA
55.76 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
23466342

Drug 466 Minodronic acid

InChIkey: VMMKGHQPQIEGSQ-UHFFFAOYSA-N MF: C9H12N2O7P2 MW: 322.15 Investigational
LogP
-0.12
HBA
9
HBD
5
TPSA
172.21 Ų
Drug Effect Type
reduces phosphorylation
17874104

Drug 467 Dioscin

InChIkey: VNONINPVFQTJOC-ZGXDEBHDSA-N MF: C45H72O16 MW: 869.04
LogP
1.24
HBA
16
HBD
8
TPSA
235.68 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
25111127
reduces reactionenhances phosphorylation
35481609

Drug 468 Leukotriene b4

InChIkey: VNYSSYRCGWBHLG-AMOLWHMGSA-N MF: C20H32O4 MW: 336.47 Investigational
LogP
4.16
HBA
4
HBD
3
TPSA
77.76 Ų
Drug Effect Type
reduces reactionreduces activity
23747687

Drug 469 Testosterone enanthate

InChIkey: VOCBWIIFXDYGNZ-IXKNJLPQSA-N MF: C26H40O3 MW: 400.59 Approved
LogP
6.40
HBA
3
TPSA
43.37 Ų
Drug Effect Type
enhances phosphorylation
17440010

Drug 470 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 reactionenhances phosphorylation
16168102
modulates cotreatmentenhances phosphorylation
18767177
reduces reactionenhances activityenhances phosphorylation
18997820
reduces reactionmodulates reactionmodulates bindingenhances reaction
19435893
enhances activitymodulates reactionupregulates expressionenhances reactionenhances localizationenhances phosphorylation
20228224
enhances phosphorylation
21632903
reduces reactionenhances phosphorylation
23000059
modulates cotreatmentenhances phosphorylation
23804311
reduces reactionenhances phosphorylation
23933164
reduces reactionenhances reactionmodulates cotreatmentenhances phosphorylation
28882636
reduces reactionenhances phosphorylation
30641053
modulates cotreatmentenhances phosphorylationreduces phosphorylation
31614463
enhances phosphorylation
37080528

Drug 471 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
enhances phosphorylation
39032682

Drug 472 Nystatin

InChIkey: VQOXZBDYSJBXMA-RKEBNKJGSA-N MF: C47H75NO17 MW: 926.09 Approved
LogP
1.64
HBA
18
HBD
12
TPSA
319.61 Ų
ATC Classification
A07AA02D01AA01G01AA01... (+1)
Drug Effect Type
reduces reactionenhances phosphorylation
12614848

Drug 473 Tryptanthrin

InChIkey: VQQVWGVXDIPORV-UHFFFAOYSA-N MF: C15H8N2O2 MW: 248.24
LogP
1.93
HBA
4
TPSA
51.96 Ų
Drug Effect Type
reduces phosphorylation
26341616

Drug 474 Aluminum chloride

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

Drug 475 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
modulates reactionmodulates phosphorylation
24095863
reduces reactionenhances phosphorylation
30851366
reduces reactiondownregulates expressionreduces phosphorylation
36394428

Drug 476 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 reactionreduces phosphorylation
24431215

Drug 477 Cyanidin-3-o-beta-glucopyranoside

InChIkey: VUUHCPBKEAYFDZ-FFKRPEIQSA-N MF: C21H22O11 MW: 450.39
LogP
-0.20
HBA
11
HBD
8
TPSA
189.53 Ų
Drug Effect Type
reduces phosphorylation
34362378

Drug 478 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
reduces phosphorylation
37290678

Drug 479 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 reactionenhances phosphorylation
16168102
reduces reactionenhances phosphorylation
17125913
reduces reactionmodulates cotreatmentenhances phosphorylation
18767177
reduces reactionenhances phosphorylation
19781563
reduces reactionenhances phosphorylation
19956873
reduces reactionenhances phosphorylation
21884717
reduces reactionenhances phosphorylation
23000059
reduces reactionmodulates cotreatmentenhances phosphorylation
28882636
reduces reactionenhances phosphorylation
30590302
reduces reactionenhances phosphorylation
31059536
reduces reactionenhances phosphorylation
33582643

Drug 480 Silicon dioxide

InChIkey: VYPSYNLAJGMNEJ-UHFFFAOYSA-N MF: O2Si MW: 60.08 Approved
LogP
-0.62
HBA
2
TPSA
34.14 Ų
Drug Effect Type
reduces reactionupregulates expressionenhances reactionenhances phosphorylation
35499148
modulates reactionenhances phosphorylationupregulates abundance
39353502

Drug 481 Lead

InChIkey: WABPQHHGFIMREM-UHFFFAOYSA-N MF: Pb MW: 207.20
LogP
-0.38
Drug Effect Type
reduces phosphorylation
32976933

Drug 482 Homocastasterone

InChIkey: WADMTJKRYLAHQV-NKOPCKDMSA-N MF: C29H50O5 MW: 478.70
LogP
4.20
HBA
5
HBD
4
TPSA
97.99 Ų
Drug Effect Type
enhances phosphorylation
21491949

Drug 483 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
modulates cotreatmentreduces activity
15781658
downregulates expression
16144943
reduces phosphorylation
20543569
modulates cotreatmentdownregulates expressionreduces phosphorylation
21472287

Drug 484 Ursolic acid

InChIkey: WCGUUGGRBIKTOS-GPOJBZKASA-N MF: C30H48O3 MW: 456.70 Experimental
LogP
7.09
HBA
3
HBD
2
TPSA
57.53 Ų
Drug Effect Type
reduces phosphorylation
19344998
reduces phosphorylation
24802810

Drug 485 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 reactionenhances activityenhances phosphorylation
11309286
reduces reactionenhances activityenhances phosphorylation
15177934
reduces reactionenhances phosphorylation
24015256
reduces reactionenhances cleavage
25118938

Drug 486 Fosbretabulin

InChIkey: WDOGQTQEKVLZIJ-WAYWQWQTSA-N MF: C18H21O8P MW: 396.33 Investigational
LogP
3.36
HBA
8
HBD
2
TPSA
113.49 Ų
Drug Effect Type
enhances reactiondownregulates expressionreduces phosphorylation
35122754

Drug 487 Lonidamine

InChIkey: WDRYRZXSPDWGEB-UHFFFAOYSA-N MF: C15H10Cl2N2O2 MW: 321.16 Investigational
LogP
4.09
HBA
4
HBD
1
TPSA
55.12 Ų
ATC Classification
L01XX07
Drug Effect Type
enhances reactionreduces phosphorylation
20605902
reduces reactionenhances phosphorylation
21889928

Drug 488 Azoxystrobin

InChIkey: WFDXOXNFNRHQEC-GHRIWEEISA-N MF: C22H17N3O5 MW: 403.39 Experimental
LogP
4.09
HBA
8
TPSA
103.56 Ų
Drug Effect Type
reduces phosphorylation
32339800

Drug 489 Beta-cyclodextrin

InChIkey: WHGYBXFWUBPSRW-FOUAGVGXSA-N MF: C42H70O35 MW: 1,134.98 Experimental
LogP
-15.23
HBA
35
HBD
21
TPSA
554.05 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
12614848

Drug 490 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
reduces phosphorylation
24990399
reduces reactionreduces phosphorylation
27180204

Drug 491 Lithium

InChIkey: WHXSMMKQMYFTQS-UHFFFAOYSA-N MF: Li MW: 6.94
LogP
0.00
Drug Effect Type
upregulates expressionenhances phosphorylation
19440698

Drug 492 Sunitinib

InChIkey: WINHZLLDWRZWRT-ATVHPVEESA-N MF: C22H27FN4O2 MW: 398.47 Approved
LogP
3.86
HBA
5
HBD
3
TPSA
77.23 Ų
ATC Classification
L01EX01
Drug Effect Type
downregulates expression
39025287

Drug 493 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
reduces reactionenhances phosphorylation
12931129
reduces reactionenhances phosphorylation
19244381
reduces phosphorylation
23954321
enhances reactionmodulates cotreatmentreduces phosphorylation
25655047
reduces reactionmodulates reactionmodulates cotreatmentreduces phosphorylation
29061316
downregulates expression
35218280

Drug 494 Diosgenin

InChIkey: WQLVFSAGQJTQCK-VKROHFNGSA-N MF: C27H42O3 MW: 414.62
LogP
5.71
HBA
3
HBD
1
TPSA
38.69 Ų
Drug Effect Type
reduces reactionenhances activity
16331273

Drug 495 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 phosphorylation
16385087
reduces reactionenhances phosphorylation
21031461
reduces reactionenhances phosphorylationreduces phosphorylation
21333731
reduces reactionreduces phosphorylation
23954465
reduces reactionreduces phosphorylation
27049278
modulates response to substancemodulates phosphorylation
30914352
reduces reactionreduces phosphorylation
32602595
modulates reactionreduces phosphorylation
33957017
reduces reactionreduces phosphorylation
35264022
reduces reactionmodulates cotreatmentenhances phosphorylation
37523837
reduces reactionmodulates reactionreduces phosphorylation
38088496
reduces reactionmodulates cotreatmentreduces phosphorylation
38528077
modulates cotreatmentenhances phosphorylation
39191366
reduces reactionenhances phosphorylation
39579577

Drug 496 10-nitro-oleic acid

InChIkey: WRADPCFZZWXOTI-BMRADRMJSA-N MF: C18H33NO4 MW: 327.46 Investigational
LogP
6.24
HBA
2
HBD
1
TPSA
83.12 Ų
Drug Effect Type
enhances activity
23845594

Drug 497 Lysophosphatidic acid

InChIkey: WRGQSWVCFNIUNZ-KTKRTIGZSA-N MF: C21H41O7P MW: 436.52
LogP
5.04
HBA
7
HBD
3
TPSA
123.10 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
17550345
reduces reactionenhances phosphorylation
20103642

Drug 498 Citalopram

InChIkey: WSEQXVZVJXJVFP-UHFFFAOYSA-N MF: C20H21FN2O MW: 324.39 Approved
LogP
3.81
HBA
3
TPSA
36.26 Ų
ATC Classification
N06AB04
Drug Effect Type
reduces reactionenhances phosphorylation
30592962

Drug 499 Formaldehyde

InChIkey: WSFSSNUMVMOOMR-UHFFFAOYSA-N MF: CH2O MW: 30.03 Approved
LogP
0.45
HBA
1
TPSA
17.07 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylationreduces phosphorylation
30600586
reduces reactionmodulates phosphorylation
36534342

Drug 500 Salirasib

InChIkey: WUILNKCFCLNXOK-CFBAGHHKSA-N MF: C22H30O2S MW: 358.54 Investigational
LogP
6.90
HBA
3
HBD
1
TPSA
62.60 Ų
Drug Effect Type
reduces phosphorylation
16780807

Drug 501 Semaxanib

InChIkey: WUWDLXZGHZSWQZ-WQLSENKSSA-N MF: C15H14N2O MW: 238.28 Investigational
LogP
3.26
HBA
2
HBD
2
TPSA
44.89 Ų
Drug Effect Type
reduces activity
15474452

Drug 502 Trovafloxacin

InChIkey: WVPSKSLAZQPAKQ-SOSAQKQKSA-N MF: C20H15F3N4O3 MW: 416.35 Approved
LogP
2.66
HBA
7
HBD
2
TPSA
101.45 Ų
ATC Classification
J01MA13
Drug Effect Type
enhances reactionenhances phosphorylation
33609687

Drug 503 Tetrandrine

InChIkey: WVTKBKWTSCPRNU-KYJUHHDHSA-N MF: C38H42N2O6 MW: 622.75 Experimental
LogP
7.04
HBA
8
TPSA
61.86 Ų
Drug Effect Type
reduces phosphorylation
30549224
enhances phosphorylation
31255635

Drug 504 Alisol a 24-acetate

InChIkey: WXHUQVMHWUQNTG-JSWHPQHOSA-N MF: C32H52O6 MW: 532.75
LogP
5.37
HBA
6
HBD
3
TPSA
104.06 Ų
Drug Effect Type
downregulates expressionreduces phosphorylation
28408883

Drug 505 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
reduces reactionupregulates expressionreduces activity
17283156
reduces activity
18636160
enhances phosphorylation
21170675
reduces reactionenhances phosphorylation
30191986

Drug 506 Px-102

InChIkey: XBUXXJUEBFDQHD-NHCUHLMSSA-N MF: C29H22Cl3NO4 MW: 554.85 Investigational
LogP
8.73
HBA
5
HBD
1
TPSA
72.56 Ų
Drug Effect Type
reduces phosphorylation
35267068

Drug 507 Prostaglandin e2

InChIkey: XEYBRNLFEZDVAW-ARSRFYASSA-N MF: C20H32O5 MW: 352.47 Approved
LogP
3.25
HBA
5
HBD
3
TPSA
94.83 Ų
ATC Classification
G02AD02
Drug Effect Type
reduces reactionenhances phosphorylation
17805209
reduces reactionreduces activity
23747687
reduces reactionreduces activityreduces phosphorylation
25094029

Drug 508 Morusin

InChIkey: XFFOMNJIDRDDLQ-UHFFFAOYSA-N MF: C25H24O6 MW: 420.45
LogP
5.27
HBA
6
HBD
3
TPSA
100.13 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
33035517
reduces phosphorylation
37443484

Drug 509 Procyanidin b2

InChIkey: XFZJEEAOWLFHDH-NFJBMHMQSA-N MF: C30H26O12 MW: 578.52
LogP
3.00
HBA
12
HBD
10
TPSA
220.76 Ų
Drug Effect Type
enhances phosphorylation
21945981

Drug 510 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
reduces reactionenhances phosphorylation
17805209
reduces reactionenhances phosphorylation
19233551
modulates reactionreduces phosphorylation
24568969
reduces reactionenhances phosphorylation
27087131
reduces reactiondownregulates expressionreduces phosphorylation
28942004
downregulates expressionreduces phosphorylation
30993382
reduces phosphorylation
36807944
reduces reactionenhances phosphorylation
38521369

Drug 511 Lycorine

InChIkey: XGVJWXAYKUHDOO-DANNLKNASA-N MF: C16H17NO4 MW: 287.31
LogP
0.69
HBA
5
HBD
2
TPSA
62.16 Ų
Drug Effect Type
reduces phosphorylation
38925513

Drug 512 Dorsomorphin

InChIkey: XHBVYDAKJHETMP-UHFFFAOYSA-N MF: C24H25N5O MW: 399.49 Experimental
LogP
4.26
HBA
6
TPSA
55.55 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylation
23111315
reduces reactionenhances phosphorylationreduces phosphorylation
23466342
reduces reactionreduces phosphorylation
35747990
reduces reactionreduces phosphorylation
38734222

Drug 513 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 reactionenhances phosphorylation
20153296

Drug 514 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
enhances reactionreduces phosphorylation
24374571

Drug 515 methyllycaconitine

InChIkey: XLTANAWLDBYGFU-VTLKBQQISA-N MF: C37H50N2O10 MW: 682.80
LogP
2.04
HBA
12
HBD
2
TPSA
144.30 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
12511591
enhances phosphorylation
24012499

Drug 516 Wogonin

InChIkey: XLTFNNCXVBYBSX-UHFFFAOYSA-N MF: C16H12O5 MW: 284.26
LogP
2.88
HBA
5
HBD
2
TPSA
79.90 Ų
Drug Effect Type
reduces phosphorylation
38134066

Drug 517 Taurine

InChIkey: XOAAWQZATWQOTB-UHFFFAOYSA-N MF: C2H7NO3S MW: 125.15 Approved
LogP
0.61
HBA
4
HBD
2
TPSA
88.77 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
30362509

Drug 518 1-methyl-4-phenyl-2,3-dihydropyridinium

InChIkey: XQWOWMFNCZGEIT-UHFFFAOYSA-N MF: C12H14N+ MW: 172.25
LogP
2.15
TPSA
3.01 Ų
Drug Effect Type
reduces reactiondownregulates expressionreduces phosphorylation
21856379

Drug 519 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 reactionreduces activityreduces phosphorylation
19530242

Drug 520 Amiloride

InChIkey: XSDQTOBWRPYKKA-UHFFFAOYSA-N MF: C6H8ClN7O MW: 229.63 Approved
LogP
1.27
HBA
8
HBD
4
TPSA
159.29 Ų
ATC Classification
C03DB01
Drug Effect Type
reduces activityreduces phosphorylation
15607733
reduces reactionreduces activityreduces phosphorylation
16059913

Drug 521 Trichloroethylene

InChIkey: XSTXAVWGXDQKEL-UHFFFAOYSA-N MF: C2HCl3 MW: 131.39 Approved
LogP
2.50
ATC Classification
N01AB05
Drug Effect Type
reduces reactionenhances phosphorylation
34233590
reduces reactionenhances phosphorylation
34896440

Drug 522 Canagliflozin

InChIkey: XTNGUQKDFGDXSJ-ZXGKGEBGSA-N MF: C24H25FO5S MW: 444.52 Approved
LogP
2.97
HBA
6
HBD
4
TPSA
118.39 Ų
ATC Classification
A10BD16A10BK02
Drug Effect Type
modulates cotreatmentenhances phosphorylation
39645617

Drug 523 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
modulates cotreatmentreduces phosphorylation
18172863
downregulates expressionreduces phosphorylation
29630879

Drug 524 2,2',4,4'-tetrabromodiphenyl ether

InChIkey: XYBSIYMGXVUVGY-UHFFFAOYSA-N MF: C12H6Br4O MW: 485.79
LogP
6.53
HBA
1
TPSA
9.23 Ų
Drug Effect Type
reduces reactionmodulates cotreatmentenhances phosphorylation
25784559

Drug 525 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
reduces reactionenhances phosphorylation
16385087
modulates cotreatmentenhances phosphorylation
21664031
modulates cotreatmentreduces phosphorylation
25412314
enhances phosphorylation
26835874
reduces reactionreduces phosphorylation
30914352
reduces reactionreduces phosphorylation
30928401
reduces reactionenhances reactionreduces phosphorylation
35350904
reduces reactionreduces phosphorylation
36764371
reduces reactionupregulates expressionmodulates cotreatment
38479708

Drug 526 Yajchevqcohzdc-qmmnlepnsa-n

InChIkey: YAJCHEVQCOHZDC-QMMNLEPNSA-N MF: C256H381N65O77S6 MW: 5,793.54
LogP
4.82
HBA
146
HBD
78
TPSA
2,450.87 Ų
Drug Effect Type
modulates cotreatmentreduces phosphorylation
37005939

Drug 527 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
reduces reactionmodulates cotreatmentenhances phosphorylation
16204373
reduces phosphorylation
16425225
reduces phosphorylation
16775433
modulates reactionreduces phosphorylation
17506947
reduces reactionreduces phosphorylation
21333731
reduces reactionreduces phosphorylation
30362509
modulates cotreatmentenhances phosphorylation
31270305

Drug 528 Berberine

InChIkey: YBHILYKTIRIUTE-UHFFFAOYSA-N MF: C20H18NO4+ MW: 336.36 Approved
LogP
3.10
HBA
4
TPSA
40.80 Ų
Drug Effect Type
reduces reactionenhances phosphorylationreduces phosphorylation
23954465
reduces phosphorylation
33325633

Drug 529 Plerixafor

InChIkey: YIQPUIGJQJDJOS-UHFFFAOYSA-N MF: C28H54N8 MW: 502.78 Approved
LogP
2.26
HBA
8
HBD
6
TPSA
78.66 Ų
ATC Classification
L03AX16
Drug Effect Type
reduces reactionenhances phosphorylation
18660423

Drug 530 Picropodophyllin

InChIkey: YJGVMLPVUAXIQN-HAEOHBJNSA-N MF: C22H22O8 MW: 414.41 Investigational
LogP
2.41
HBA
8
HBD
1
TPSA
92.68 Ų
Drug Effect Type
reduces reactionenhances cleavage
25118938

Drug 531 Novobiocin

InChIkey: YJQPYGGHQPGBLI-KGSXXDOSSA-N MF: C31H36N2O11 MW: 612.62 Approved
LogP
4.40
HBA
13
HBD
5
TPSA
200.01 Ų
Drug Effect Type
enhances degradation
20711301

Drug 532 Adaphostin

InChIkey: YJZSUCFGHXQWDM-UHFFFAOYSA-N MF: C24H27NO4 MW: 393.48
LogP
4.91
HBA
5
HBD
3
TPSA
78.79 Ų
Drug Effect Type
downregulates expressionreduces phosphorylation
14647418
enhances reactionreduces phosphorylation
32305283

Drug 533 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
enhances phosphorylation
17979524
reduces reactionenhances phosphorylation
19059400
reduces reactionenhances phosphorylation
19139269
enhances phosphorylation
20619260
reduces reactionenhances phosphorylation
21462327
reduces reactionenhances phosphorylation
21474332
enhances phosphorylation
22226932

Drug 534 Colistin

InChIkey: YKQOSKADJPQZHB-RGYSVOEGSA-N MF: C52H98N16O13 MW: 1,155.43 Approved
LogP
1.54
HBA
29
HBD
18
TPSA
490.66 Ų
ATC Classification
A07AA10J01XB01
Drug Effect Type
downregulates expressionreduces phosphorylation
35378205

Drug 535 Cadmium chloride, dihydrate

InChIkey: YKYOUMDCQGMQQO-UHFFFAOYSA-L MF: CdCl2 MW: 183.32
LogP
1.38
Drug Effect Type
reduces reactionenhances phosphorylation
17125913
enhances activityenhances phosphorylation
18021293
reduces reactionenhances phosphorylation
21195169
reduces reactionenhances reactionenhances phosphorylation
24057571
reduces reactionenhances phosphorylationenhances cleavage
25118938
modulates cotreatmentenhances phosphorylation
28342888
modulates cotreatmentenhances phosphorylationupregulates abundance
28949029
enhances phosphorylation
33127495

Drug 536 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
reduces phosphorylation
15786421
reduces reactionenhances reactionenhances phosphorylation
16740780
modulates cotreatmentdownregulates expressionreduces phosphorylation
29552859
enhances phosphorylation
35182693

Drug 537 Pyocyanin

InChIkey: YNCMLFHHXWETLD-UHFFFAOYSA-N MF: C13H10N2O MW: 210.23
LogP
2.09
HBA
3
TPSA
34.89 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
24015256

Drug 538 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
reduces activityreduces phosphorylation
18424783

Drug 539 Cycloheximide

InChIkey: YPHMISFOHDHNIV-FSZOTQKASA-N MF: C15H23NO4 MW: 281.35
LogP
1.37
HBA
5
HBD
2
TPSA
83.47 Ų
Drug Effect Type
enhances phosphorylation
28634229

Drug 540 Jwh-133

InChIkey: YSBFLLZNALVODA-RBUKOAKNSA-N MF: C22H32O MW: 312.49
LogP
6.38
HBA
1
TPSA
9.23 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
30807757

Drug 541 Liraglutide

InChIkey: YSDQQAXHVYUZIW-QCIJIYAXSA-N MF: C172H265N43O51 MW: 3,751.20
LogP
6.13
HBA
92
HBD
54
TPSA
1,513.76 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
31173752

Drug 542 Cps 49

InChIkey: YSJCNZQEYLMVPJ-UHFFFAOYSA-N MF: C14H3F6NO2 MW: 331.17
LogP
3.39
HBA
3
TPSA
37.38 Ų
Drug Effect Type
enhances phosphorylationreduces phosphorylation
15858615

Drug 543 Diatrizoic acid

InChIkey: YVPYQUNUQOZFHG-UHFFFAOYSA-N MF: C11H9I3N2O4 MW: 613.91 Approved
LogP
3.26
HBA
6
HBD
3
TPSA
95.50 Ų
ATC Classification
V08AA01
Drug Effect Type
reduces reactionreduces phosphorylation
25603236

Drug 544 Ginkgolic acid

InChIkey: YXHVCZZLWZYHSA-FPLPWBNLSA-N MF: C22H34O3 MW: 346.50
LogP
6.50
HBA
3
HBD
2
TPSA
57.53 Ų
Drug Effect Type
reduces phosphorylation
34132136

Drug 545 Folfox protocol

InChIkey: YXTKHLHCVFUPPT-YYFJYKOTSA-N MF: C34H42FN9O13Pt MW: 998.83
LogP
1.97
HBA
19
HBD
11
TPSA
360.16 Ų
Drug Effect Type
enhances reactionreduces activitydownregulates expressionreduces phosphorylation
17918158

Drug 546 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 reactionmodulates bindingenhances reactionmodulates cotreatment
20664932
reduces phosphorylation
29266867

Drug 547 Bioallethrin

InChIkey: ZCVAOQKBXKSDMS-UHFFFAOYSA-N MF: C19H26O3 MW: 302.41 Approved
LogP
4.00
HBA
3
TPSA
43.37 Ų
ATC Classification
P03AC02P03AC52
Drug Effect Type
enhances phosphorylation
36528879

Drug 548 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
modulates cotreatmentreduces phosphorylation
15688368
enhances reactionreduces phosphorylation
21803027
enhances reactionmodulates cotreatmentreduces phosphorylation
25655047

Drug 549 Snx-2112

InChIkey: ZFVRYNYOPQZKDG-UHFFFAOYSA-N MF: C23H27F3N4O3 MW: 464.48
LogP
4.63
HBA
7
HBD
3
TPSA
110.24 Ų
Drug Effect Type
downregulates expression
23777986

Drug 550 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 reactionreduces activity
24300283

Drug 551 Ropivacaine

InChIkey: ZKMNUMMKYBVTFN-HNNXBMFYSA-N MF: C17H26N2O MW: 274.40 Approved
LogP
3.52
HBA
3
HBD
1
TPSA
32.34 Ų
ATC Classification
N01BB09
Drug Effect Type
reduces phosphorylation
36124980
reduces phosphorylation
36193553

Drug 552 Epz015666

InChIkey: ZKXZLIFRWWKZRY-KRWDZBQOSA-N MF: C20H25N5O3 MW: 383.44
LogP
0.84
HBA
8
HBD
3
TPSA
99.61 Ų
Drug Effect Type
reduces reactionreduces phosphorylation
31712395

Drug 553 Protein kinase inhibitor h89

InChIkey: ZKZXNDJNWUTGDK-NSCUHMNNSA-N MF: C20H20BrN3O2S MW: 446.36 Experimental
LogP
5.44
HBA
5
HBD
2
TPSA
79.47 Ų

Top 10 Target Binding Affinities (sorted by binding strength)

#1
Medium
Affinity: IC50=1.7e+3nM
Reference: PMID: 25453512
#2
Medium
Affinity: IC50=1600nM
Reference: PMID: 19604696
#3
Medium
Affinity: IC50=1720nM
Reference: PMID: 24389511
#4
Medium
Affinity: IC50=1800nM
Reference: PMID: 22027102
#5
Medium
Affinity: IC50=2200nM
Reference: PMID: 24508830
#6
Medium
Affinity: IC50=2600nM
Reference: PMID: 10998351
Drug Effect Type
reduces activity
10998351
reduces reactionmodulates phosphorylation
17640974

Drug 554 Allyl isothiocyanate

InChIkey: ZOJBYZNEUISWFT-UHFFFAOYSA-N MF: C4H5NS MW: 99.15
LogP
1.28
HBA
2
TPSA
44.45 Ų
Drug Effect Type
reduces phosphorylation
37318315

Drug 555 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 phosphorylation
16882451
reduces reactionreduces phosphorylation
32043704
reduces reactionenhances phosphorylation
38734222

Drug 556 Phosphoramidon

InChIkey: ZPHBZEQOLSRPAK-XLCYBJAPSA-N MF: C23H34N3O10P MW: 543.50 Experimental
LogP
1.01
HBA
12
HBD
8
TPSA
220.48 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
15177934

Drug 557 Oleic acid

InChIkey: ZQPPMHVWECSIRJ-KTKRTIGZSA-N MF: C18H34O2 MW: 282.46
LogP
6.11
HBA
2
HBD
1
TPSA
37.30 Ų
Drug Effect Type
reduces reactionmodulates reactionmodulates cotreatmentreduces phosphorylation
25536389

Drug 558 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 reactionreduces phosphorylation
29471006

Drug 559 Stattic

InChIkey: ZRRGOUHITGRLBA-UHFFFAOYSA-N MF: C8H5NO4S MW: 211.19
LogP
2.96
HBA
2
TPSA
88.34 Ų
Drug Effect Type
reduces reactionenhances phosphorylation
23255093

Drug 560 Meloxicam

InChIkey: ZRVUJXDFFKFLMG-UHFFFAOYSA-N MF: C14H13N3O4S2 MW: 351.40 Approved
LogP
3.04
HBA
8
HBD
2
TPSA
136.22 Ų
ATC Classification
M01AC06M01AC56N01BB59
Drug Effect Type
modulates cotreatmentreduces phosphorylation
35920412

Drug 561 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
reduces reactionreduces phosphorylation
29604266

Drug 562 Obeticholic acid

InChIkey: ZXERDUOLZKYMJM-ZWECCWDJSA-N MF: C26H44O4 MW: 420.63 Approved
LogP
5.11
HBA
4
HBD
3
TPSA
77.76 Ų
ATC Classification
A05AA04
Drug Effect Type
reduces phosphorylation
35267068

Drug 563 Coumarin

InChIkey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N MF: C9H6O2 MW: 146.14 Experimental
LogP
1.79
HBA
2
TPSA
30.21 Ų
Drug Effect Type
downregulates expressionreduces phosphorylation
32578917

Drug 564 1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester

InChIkey: ZYOUCRHWAYJCPN-UHFFFAOYSA-N MF: C25H28N2O12 MW: 548.50
LogP
1.07
HBA
14
HBD
3
TPSA
189.44 Ų
Drug Effect Type
reduces reactionenhances activityenhances phosphorylation
16236484
reduces reactionenhances phosphorylation
28025122
reduces phosphorylation
28634229

Drug 565 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
reduces reactionenhances phosphorylation
26506538
enhances phosphorylation
32073747

Drug 566 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
reduces reactionenhances degradation
18442981