compound (R)-10h [PMID: 22490048]

Ligand id: 7754

Name: compound (R)-10h [PMID: 22490048]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 92.35
Molecular weight 460.25
XLogP 3.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(cyclopropylmethoxy)-N-{3-[(1R)-1-[(2-acetamidoethyl)amino]ethyl]-8-methylquinolin-7-yl}benzamide
Database Links
ChEMBL Ligand CHEMBL2059513
GtoPdb PubChem SID 223366087
PubChem CID 57523087
Search Google for chemical match using the InChIKey HRYQXLHGNOJEHH-GOSISDBHSA-N
Search Google for chemicals with the same backbone HRYQXLHGNOJEHH
Search UniChem for chemical match using the InChIKey HRYQXLHGNOJEHH-GOSISDBHSA-N
Search UniChem for chemicals with the same backbone HRYQXLHGNOJEHH
Comments
This is compound 10h in [1], where the full name of the compound is stated as N-{3-[(1R)-1-{[2-(acetylamino)ethyl]amino}ethyl]-8-methylquinolin-7-yl}-4-(cyclopropylmethoxy)benzamide. It is a potent antagonist of the MCH1 receptor.