BMS-777607   Click here for help

GtoPdb Ligand ID: 7953

Synonyms: BMS 777607 | BMS777607
PDB Ligand
Compound class: Synthetic organic
Comment: BMS-777607is a selective and orally bioavailable MET tyrosine kinase (hepatocyte growth factor receptor) inhibitor with potential antineoplastic activity. Its discovery is described by Schroeder et al. (2009) [1] where it is compound 10. It also has significant activity against other receptor tyrosine kinases, with details presented in the Biological activity tab..
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 107.95
Molecular weight 512.11
XLogP 5.24
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F
Isomeric SMILES CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F
InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
BMS 777607 | BMS777607
Database Links Click here for help
CAS Registry No. 1196681-44-3
ChEMBL Ligand CHEMBL460702
GtoPdb PubChem SID 249565636
PubChem CID 24794418
RCSB PDB Ligand 353
Search Google for chemical match using the InChIKey VNBRGSXVFBYQNN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VNBRGSXVFBYQNN
UniChem Compound Search for chemical match using the InChIKey VNBRGSXVFBYQNN-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VNBRGSXVFBYQNN-UHFFFAOYSA-N