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
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.
Database Links
BindingDB Ligand 50020044
ChEMBL Ligand CHEMBL3287898
GtoPdb PubChem SID 223366163
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