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Compound Detail

CHEMBL2103882

TIVANTINIB
🧪 Phase III
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🧪 Phase III
O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2103882
Name TIVANTINIB
Phase Phase III
Structure Type MOL
InChI Key UCEQXRCJXIVODC-PMACEKPBSA-N

Known Names

ARQ 197 Arq-197 Tivantinib
8
Targets
13
Activities
3
Assay Types
0
PK Parameters
20
Publications
3
Known Names
19
Indications
1
Mechanisms

Molecular Properties

369.4
MW (Da)
3.59
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -tinib
USAN Year 2011

Extended Properties

Molecular Formula C23H19N3O2
MW 369.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.12

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Hepatocyte growth factor receptor inhibitor INHIBITOR Hepatocyte growth factor receptor ✓ ✓

Indications

Carcinoma, Hepatocellular Carcinoma, Non-Small-Cell Lung Liver Neoplasms Breast Neoplasms Carcinoma, Renal Cell Carcinoma, Squamous Cell Mesothelioma Mesothelioma Multiple Myeloma Neoplasms, Germ Cell and Embryonal Pancreatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms Small Cell Lung Carcinoma Stomach Neoplasms Triple Negative Breast Neoplasms Esophageal Neoplasms Neoplasms Neoplasms

Activity Summary

IC50 5 meas. best 6.52
Kd 4 meas. best 7.77
Ki 4 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dynamin-like GTPase OPA1, mitochondrial
CHEMBL4105705
 Kd 7.77 7.77 17.0 1
Heme oxygenase 2
CHEMBL2546
 Kd 6.92 6.92 119.0 1
Eukaryotic translation initiation factor 5B
CHEMBL4105852
 Kd 6.63 6.63 232.0 1
NCI-H441
CHEMBL1075542
 IC50 6.52 6.52 300.0 1
Hepatocyte growth factor receptor
CHEMBL3717
 Ki 6.47 6.455 335.0 4
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 6.44 6.44 360.0 1
Hepatocyte growth factor receptor
CHEMBL3717
 Kd 6.29 6.29 511.0 1
MKN-45
CHEMBL614354
 IC50 6.24 6.24 580.0 1
A549
CHEMBL392
 IC50 6.23 6.23 590.0 1
NCI-H460
CHEMBL396
 IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dynamin-like GTPase OPA1, mitochondrial Kd = 17.0 nM 7.77 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Heme oxygenase 2 Kd = 119.0 nM 6.92 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Eukaryotic translation initiation factor 5B Kd = 232.0 nM 6.63 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
NCI-H441 IC50 = 300.0 nM 6.52 Antiproliferative activity against human NCI-H441 cells assessed as inhibition o... 37262349
Hepatocyte growth factor receptor Ki = 335.0 nM 6.47 Inhibition of c-Met (unknown origin) 38477575
Hepatocyte growth factor receptor Ki = 355.0 nM 6.45 Inhibition of c-Met (unknown origin) 26717201
Hepatocyte growth factor receptor Ki = 355.0 nM 6.45 Inhibition of recombinant human c-Met (974 to 1390 residues) using poly-Glu-Tyr ... 28280261
Hepatocyte growth factor receptor Ki = 355.0 nM 6.45 Binding affinity to human recombinant MET assessed as inhibition constant 37262349
Hepatocyte growth factor receptor IC50 = 360.0 nM 6.44 Inhibition of c-Met (unknown origin) 35312319
Hepatocyte growth factor receptor Kd = 511.0 nM 6.29 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
MKN-45 IC50 = 580.0 nM 6.24 Antiproliferative activity against human MKN-45 cells assessed as inhibition of ... 37262349
A549 IC50 = 590.0 nM 6.23 Antiproliferative activity against human A549 cells assessed as inhibition of ce... 37262349
NCI-H460 IC50 = 600.0 nM 6.22 Antiproliferative activity against human NCI-H460 cells assessed as inhibition o... 37262349

Literature References

PubMed DOI Target Context # Activities
29191878 10.1126/science.aan4368 Unchecked 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29191878 10.1126/science.aan4368 Long-chain-fatty-acid--CoA ligase 5 1
29191878 10.1126/science.aan4368 Uncharacterized aarF domain-containing protein kinase 5 1
29191878 10.1126/science.aan4368 Atypical kinase COQ8A, mitochondrial 1
29191878 10.1126/science.aan4368 Activin receptor type-2B 1
29191878 10.1126/science.aan4368 Activin receptor type-1B 1
29191878 10.1126/science.aan4368 Activin receptor type-1 1
29191878 10.1126/science.aan4368 Actin-related protein 3 1
29191878 10.1126/science.aan4368 Actin-related protein 2 1
26717201 10.1016/j.ejmech.2015.12.016 Hepatocyte growth factor receptor 1
38852338 10.1016/j.ejmech.2024.116540 Hepatocyte growth factor receptor 1
29191878 10.1126/science.aan4368 Very long-chain specific acyl-CoA dehydrogenase, mitochondrial 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 11 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 10 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL2 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL1 1
29191878 10.1126/science.aan4368 AP2-associated protein kinase 1 1
28280261 10.1038/nrd.2016.266 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine