TIVANTINIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PJ4H73IL17

Structure
InChI Key UCEQXRCJXIVODC-PMACEKPBSA-N
Smile O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12
InChI
InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H19N3O2
Molecular Weight 369.42
AlogP 3.59
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 66.89
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatocyte growth factor receptor inhibitor PubMed PubMed
Primary Target
MET proto-oncogene, receptor tyrosine kinase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- - - 355-355 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Liver Neoplasms 3 D008113 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Neoplasms, Germ Cell and Embryonal 2 D009373 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Esophageal Neoplasms 1 D004938 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 905854-02-6
ChEBI 91398
ChEMBL CHEMBL2103882
DrugBank DB12200
FDA SRS PJ4H73IL17
Guide to Pharmacology 7948
PDB TIV
PubChem 11494412
SureChEMBL SCHEMBL44944
ZINC ZINC000100016063
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