TIVANTINIB

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Synonyms
Status
Molecule Category Free-form
UNII PJ4H73IL17

Structure

InChI Key UCEQXRCJXIVODC-PMACEKPBSA-N
Smiles 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

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed PubMed
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 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 355-355 -

Target Conservation

Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976

Related Entries

Cross References

Resources Reference
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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