compound 5B [PMID: 25349648]

Ligand id: 7831

Name: compound 5B [PMID: 25349648]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 91.34
Molecular weight 488.2
XLogP 4.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1r,4r)-4-[(1-{5-[5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]pyridin-2-yl}piperidin-4-yl)oxy]cyclohexane-1-carboxylic acid
Database Links
PubChem CID 71078515
Search Google for chemical match using the InChIKey MCFBUIIRFZBRCU-RZDIXWSQSA-N
Search Google for chemicals with the same backbone MCFBUIIRFZBRCU
Search UniChem for chemical match using the InChIKey MCFBUIIRFZBRCU-RZDIXWSQSA-N
Search UniChem for chemicals with the same backbone MCFBUIIRFZBRCU
Comments
The discovery of compound 5B is described in [1]. This compound is an inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1) and is being investigated as a potential treatment for obesity.
PubChem CID 71078515 represents ths molecule wih no specified stereochemisrty.