BMS-265246   Click here for help

GtoPdb Ligand ID: 8051

Synonyms: BMS 265246 | BMS265246
Compound class: Synthetic organic
Comment: BMS-265246 is a potent and selective inhibitor of the cyclin-dependent kinases, CDK1 and CDK2 [1], It is 25-fold selective for CDKs 1 and 2 over CDK4. BMS-265246 was a preclinical lead compound.
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 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 67.87
Molecular weight 345.13
XLogP 5.2
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C
Isomeric SMILES CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C
InChI InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
BMS 265246 | BMS265246
Database Links Click here for help
CAS Registry No. 582315-72-8
ChEMBL Ligand CHEMBL310840
GtoPdb PubChem SID 249565731
PubChem CID 5329775
Search Google for chemical match using the InChIKey SCFMWQIQBVZOQR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SCFMWQIQBVZOQR
UniChem Compound Search for chemical match using the InChIKey SCFMWQIQBVZOQR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SCFMWQIQBVZOQR-UHFFFAOYSA-N

Product suppliers

View disclaimer

BMS 265246 (links to external site)
Cat. No. 5654