BMS-986124   Click here for help

GtoPdb Ligand ID: 9160

Compound class: Synthetic organic
Comment: BMS-986124 is a silent (or neutral) allosteric modulator (SAM) of the μ opioid receptor [2]. It is one of the compounds claimed in patent WO2014107344 [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 80.29
Molecular weight 446.94
XLogP 4.66
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Cl
Isomeric SMILES COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Cl
InChI InChI=1S/C16H15BrClNO3S2/c1-22-15-10-11(17)2-7-14(15)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3
Bioactivity Comments
BMS-986124 blocks the effects of the μ opioid receptor positive allosteric modulator BMS-986122, but does not affect binding or activities of orthosteric μ receptor agonists such as endomorphin-1 or DAMGO [2].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
μ receptor Hs Allosteric modulator Neutral 5.7 pKB - 2
pKB 5.7 (KB 2x10-6 M) [2]