BMS-911543

Ligand id: 7954

Name: BMS-911543

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 85.8
Molecular weight 432.24
XLogP 2.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
BMS 911543 | BMS911543
Database Links
CAS Registry No. 1271022-90-2 (source: Scifinder)
PubChem CID 50922691
RCSB PDB Ligand 50V
Search Google for chemical match using the InChIKey JCINBYQJBYJGDM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JCINBYQJBYJGDM
Search UniChem for chemical match using the InChIKey JCINBYQJBYJGDM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JCINBYQJBYJGDM
SynPHARM 80886 (in complex with Janus kinase 2)
Comments
BMS-911543 is an orally available ATP-competitive inhibitor of Janus kinase 2 (JAK2) with potential antineoplastic activity. Its discovery is described by Purandare et al. (2012) [1].