tivantinib   Click here for help

GtoPdb Ligand ID: 7948

Synonyms: ARQ-197 | ARQ197
PDB Ligand
Compound class: Synthetic organic
Comment: Tivantinib is an allosteric inhibitor of c-MET kinase (hepatocyte growth factor receptor), with antineoplastic potential [5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 66.89
Molecular weight 369.15
XLogP 4.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NC(=O)C(C1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2
Isomeric SMILES O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2
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
InChI Key UCEQXRCJXIVODC-PMACEKPBSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
9326 tivantinib
Synonyms Click here for help
ARQ-197 | ARQ197
Database Links Click here for help
CAS Registry No. 905854-02-6,
ChEMBL Ligand CHEMBL2103882
GtoPdb PubChem SID 249565631
PubChem CID 11494412
RCSB PDB Ligand TIV
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