compound 23n [PMID: 24900877]

Ligand id: 7832

Name: compound 23n [PMID: 24900877]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 78.87
Molecular weight 512.27
XLogP 10.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(1r,4r)-4-{4-[(2R)-4-[(2-ethylphenyl)carbamoyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]phenyl}cyclohexyl]acetic acid
Database Links
BindingDB Ligand 50020044
ChEMBL Ligand CHEMBL3287898
PubChem CID 86277844
Search Google for chemical match using the InChIKey PUQLADUSPHHAJY-CQOQZXRMSA-N
Search Google for chemicals with the same backbone PUQLADUSPHHAJY
Search UniChem for chemical match using the InChIKey PUQLADUSPHHAJY-CQOQZXRMSA-N
Search UniChem for chemicals with the same backbone PUQLADUSPHHAJY
Comments
The discovery of compound 23n is described in [1]. Compound 23n is an inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1) being investigated as a potential treatment for obesity.
PubChem CID 86277844 represents ths molecule wih alternative stereochemisrty.