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

Immunopharmacology Comments
CCR1 is implicated in maintaining the population of inflammatory cells within the synovial tissues and fluid of joints in human RA patients. Functional potency of BMS-817399 in preclinical assessments failed to translate to efficacy in human trial participants with RA.
Immunopharmacology Disease
Disease X-Refs Comment References
Rheumatoid arthritis Disease Ontology: DOID:7148
OMIM: 180300
BMS-817399 was a clinical candidate for RA that reached Phase 2 clinical trial