BMS-986020   Click here for help

GtoPdb Ligand ID: 9498

Synonyms: am-152 | AM152 | AP-3152 free acid
Compound class: Synthetic organic
Comment: BMS-986020 is an investigational lysophosphatidic acid 1 (LPA1) receptor antagonist [2]. It is claimed as Compound 1-1 in patent WO2010141768 [1], and this document contains extensive in vitro characterisation data and records in vivo anti-fibrotic efficacy in various animal models of fibrosis.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 101.66
Molecular weight 482.18
XLogP 6.82
No. Lipinski's rules broken 1
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Canonical SMILES O=C(OC(c1ccccc1)C)Nc1c(C)noc1c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)O
Isomeric SMILES O=C(O[C@@H](c1ccccc1)C)Nc1c(C)noc1c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)O
InChI InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1
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 Value Parameter Concentration range (M) Reference
LPA1 receptor Primary target of this compound Hs Antagonist Antagonist 8.9 pIC50 -
pIC50 8.9