Structure

InChI Key KZVOMLRKFJUTLK-UHFFFAOYSA-N
Smiles CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1.Cl.O
InChI
InChI=1S/C29H28N6O2.ClH.H2O/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30;;/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3;1H;1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H31ClN6O3
Molecular Weight 547.06
AlogP 4.01
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 7.0
Polar Surface Area 96.93
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PMDA PubMed

Target Conservation

Protein: Hepatocyte growth factor receptor

Description: Hepatocyte growth factor receptor

Organism : Homo sapiens

P08581 ENSG00000105976

Cross References

Resources Reference
ChEMBL CHEMBL4594292
FDA SRS VY5YX2TQ1F
PubChem 46700774
SureChEMBL SCHEMBL1296467