BMS-754807

Ligand id: 7952

Name: BMS-754807

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 116.13
Molecular weight 461.21
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide
Synonyms
BMS 754807 | BMS754807
Database Links
CAS Registry No. 1001350-96-4
ChEMBL Ligand CHEMBL575448
PubChem CID 24785538
RCSB PDB Ligand EBI
Search Google for chemical match using the InChIKey LQVXSNNAFNGRAH-QHCPKHFHSA-N
Search Google for chemicals with the same backbone LQVXSNNAFNGRAH
Search UniChem for chemical match using the InChIKey LQVXSNNAFNGRAH-QHCPKHFHSA-N
Search UniChem for chemicals with the same backbone LQVXSNNAFNGRAH
SynPHARM 80880 (in complex with Insulin-like growth factor I receptor)
Comments
BMS-754807 is an orally bioavailable antagonist of human insulin-like growth factor type I receptor (IGF-1R) with potential antineoplastic activity. Its discovery is described in Wittman et al. (2009) [1], where it is compound 9d.