BMS-817399

Ligand id: 9497

Name: BMS-817399

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 89.87
Molecular weight 438.23
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Santella 3rd JB, Gardner DS, Duncia JV, Wu H, Dhar M, Cavallaro C, Tebben AJ, Carter PH, Barrish JC, Yarde M et al.. (2014)
Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis.
J. Med. Chem.57 (18): 7550-64. [PMID:25101488]