GOLVATINIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 516Z3YP58E
EPA CompTox DTXSID40239155

Structure

InChI Key UQRCJCNVNUFYDX-UHFFFAOYSA-N
Smiles CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1
InChI
InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H37F2N7O4
Molecular Weight 633.7
AlogP 4.75
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 119.14
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 46.0

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
- 14-20 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 16-40 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 6.2-84 - - 13.66-85.13

Target Conservation

Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976
Protein: Vascular endothelial growth factor receptor 2
Description: Vascular endothelial growth factor receptor 2
Organism : Homo sapiens
P35968 ENSG00000128052

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3039525
DrugBank DB11977
FDA SRS 516Z3YP58E
Guide to Pharmacology 7956
PDB GV0
PubChem 16118392
SureChEMBL SCHEMBL1727298
ZINC ZINC000043195317
CONTENTS