Ligand id: 9498

Name: BMS-986020

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 101.66
Molecular weight 482.18
XLogP 9.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
WO2010141768 provides intracellular calcium flux data in cell lines expressing hLPA1 or hLPA3 receptors [1]. The IC50 for BMS-986020 (compound 1.1) vs. LPA1 is < 300nM, whereas for LPA3 it is 1-10μM, indicating selectivity for LPA1 receptor. In vivo BMS-986020 can reverse fibrosis in a mouse model of established fibrosis and reduces tissue damage, vascular leak and fibrotic cytokine production.
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
LPA1 receptor Hs Antagonist Antagonist 8.9 pIC50 -
pIC50 8.9