AZD1981

Ligand id: 7680

Name: AZD1981

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 96.63
Molecular weight 388.06
XLogP 3.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
Synonyms
AZD 1981 | AZD-1981
Database Links
CAS Registry No. 802904-66-1 (source: SciFinder)
ChEMBL Ligand CHEMBL1914489
PubChem CID 11292191
Search Google for chemical match using the InChIKey JWYIGNODXSRKGP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JWYIGNODXSRKGP
Search UniChem for chemical match using the InChIKey JWYIGNODXSRKGP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JWYIGNODXSRKGP
Comments
AZD1981 was an investigational compound being assessed as a potential treatment for asthma. This compound is now included for repurposing in the AstaZeneca's Open Innovation Pharmacology Toolbox. It was also Case Study (2) in the AZ 2014 review paper[1].