AZD1981

Ligand id: 7680

Name: AZD1981

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 96.63
Molecular weight 388.06
XLogP 4.12
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
Comments
AZD1981 was an investigational compound being assessed as a potential treatment for asthma. Mechanistically it is a potent, orally active, selective and reversible antagonist of the DP2 receptor (CRTH2).
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].
Database Links
CAS Registry No. 802904-66-1 (source: SciFinder)
ChEMBL Ligand CHEMBL1914489
GtoPdb PubChem SID 223366015
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