AZD1236

Ligand id: 7844

Name: AZD1236

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 126.08
Molecular weight 402.08
XLogP 1.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5S)-5-[[4-(5-chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
Synonyms
AZD 1236 | AZD-1236
Database Links
PubChem CID 24751752
Search Google for chemical match using the InChIKey SFJFBTPHDHUUPU-OAHLLOKOSA-N
Search Google for chemicals with the same backbone SFJFBTPHDHUUPU
Search UniChem for chemical match using the InChIKey SFJFBTPHDHUUPU-OAHLLOKOSA-N
Search UniChem for chemicals with the same backbone SFJFBTPHDHUUPU
Comments
AZD1236 is a selective MMP-9 and MMP-12 inhibitor (IC50 4.5 and 6.1nM) from Astrazeneca that, since it failed biomarker endpoints for COPD is included in the AZ Open Innovation 2014 set for repurposing. Pending any published link the structure identification is tenatative but seems likely to be the structure crystalised in WO2007106022.