BMS-986122

Ligand id: 9157

Name: BMS-986122

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
2-(3-bromo-4-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
Comments
BMS-986122 is a positive allosteric modulator (PAM) of the μ opioid receptor [3]. It is one of the compounds claimed in patent WO2014107344 [2]. BMS-986122 is built on a chemical scaffold representing a new chemotype for μ receptor PAMs [1].
Database Links
GtoPdb PubChem SID 315661241
PubChem CID 4644453
Search Google for chemical match using the InChIKey PNGJPVDGZNPZHY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PNGJPVDGZNPZHY
Search UniChem for chemical match using the InChIKey PNGJPVDGZNPZHY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PNGJPVDGZNPZHY