BMS-681

Ligand id: 9430

Name: BMS-681

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 61.36
Molecular weight 491.29
XLogP 6.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
BMS-681 inhibits in vitro monocyte chemotaxis with an IC50 of 0.24nM [1].
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CCR2 Antagonist Antagonist 9.1 pIC50 - 1
pIC50 9.1 (IC50 7x10-10 M) [1]
CCR5 Antagonist Antagonist 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.4x10-9 M) [1]