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
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.
Database Links
GtoPdb PubChem SID 223366162
PubChem CID 71078515
Search Google for chemical match using the InChIKey MCFBUIIRFZBRCU-RZDIXWSQSA-N
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Search UniChem for chemical match using the InChIKey MCFBUIIRFZBRCU-RZDIXWSQSA-N
Search UniChem for chemicals with the same backbone MCFBUIIRFZBRCU