brivanib   Click here for help

GtoPdb Ligand ID: 5671

Synonyms: BMS 540215 | BMS-540215
Compound class: Synthetic organic
Comment: Brivanib (BMS-540215) is a potent ATP-competitive inhibitor of VEGFR2. Its discovery is reported in [1].
The International Non-proprietary Name (INN) brivanib alaninate has PubChem CID 11154925, and this represents the prodrug used in clinical trials.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 84.67
Molecular weight 370.14
XLogP 3.99
No. Lipinski's rules broken 0
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Canonical SMILES CC(COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C)O
Isomeric SMILES C[C@H](COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C)O
InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Prodrug brivanib alinate
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8879 brivanib alaninate
Synonyms Click here for help
BMS 540215 | BMS-540215
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-2023385
Reactome Reaction Reactome logo R-HSA-2023462
Other databases
CAS Registry No. 649735-46-6
ChEMBL Ligand CHEMBL377300
GtoPdb PubChem SID 178102299
PubChem CID 11234052
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Wikipedia Brivanib