Synonyms
Status
Molecule Category Free-form
UNII Y2SR66P7VM
EPA CompTox DTXSID70143039

Structure

InChI Key HEAIZQNMNCHNFD-UHFFFAOYSA-N
Smiles COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChI
InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H17N5O2
Molecular Weight 383.41
AlogP 3.93
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 5.0
Polar Surface Area 74.43
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 9-46 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 9-46 - - -

Target Conservation

Protein: Hepatocyte growth factor receptor

Description: Hepatocyte growth factor receptor

Organism : Homo sapiens

P08581 ENSG00000105976

Cross References

Resources Reference
ChEBI 90626
ChEMBL CHEMBL496102
DrugBank DB08079
FDA SRS Y2SR66P7VM
PDB L5G
PubChem 24864821
SureChEMBL SCHEMBL9910136
ZINC ZINC000034285235