AZ13483342   Click here for help

GtoPdb Ligand ID: 7735

Synonyms: AZ 13483342 | AZ-13483342
Compound class: Synthetic organic
Comment: 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].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 74.42
Molecular weight 341.16
XLogP 3.92
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc2c(c1)c(C)cc(n2)NCCCNCc1cscc1
Isomeric SMILES COc1ccc2c(c1)c(C)cc(n2)NCCCNCc1cscc1
InChI InChI=1S/C19H23N3OS/c1-14-10-19(22-18-5-4-16(23-2)11-17(14)18)21-8-3-7-20-12-15-6-9-24-13-15/h4-6,9-11,13,20H,3,7-8,12H2,1-2H3,(H,21,22)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AZ 13483342 | AZ-13483342
Database Links Click here for help
Specialist databases
GPCRdb Ligand AZ13483342
Other databases
ChEMBL Ligand CHEMBL400679
GtoPdb PubChem SID 223366068
PubChem CID 9927967
Search Google for chemical match using the InChIKey ZDKZIFSAJUTJSK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZDKZIFSAJUTJSK
UniChem Compound Search for chemical match using the InChIKey ZDKZIFSAJUTJSK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZDKZIFSAJUTJSK-UHFFFAOYSA-N