AZ13483342

Ligand id: 7735

Name: AZ13483342

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 74.42
Molecular weight 341.16
XLogP 4.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(6-methoxy-4-methylquinolin-2-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
Synonyms
AZ 13483342 | AZ-13483342
Database Links
ChEMBL Ligand CHEMBL400679
PubChem CID 9927967
Search Google for chemical match using the InChIKey ZDKZIFSAJUTJSK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZDKZIFSAJUTJSK
Search UniChem for chemical match using the InChIKey ZDKZIFSAJUTJSK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZDKZIFSAJUTJSK
Comments
From patent searching this compound would appear to be Example 2 from patent WO 2004004726 A1, which maps chemically to PubChem CID 9927967. This is the structure we show here.
AZ13483342 is included in AstaZeneca's Open Innovation Pharmacology Toolbox. It was developed as an antagonist of the melanin concentrating hormone receptor 1 (MCH1) as a potential diabetes therapeutic [1]. AZ13483342 is compound 7 in [2].