AZD1236

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Ligands
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	1.93
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

IUPAC Name

(5S)-5-[[4-(5-chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

Synonyms
AZD 1236 \| AZD-1236

Synonyms

AZD 1236 | AZD-1236

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.

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.

Database Links
GtoPdb PubChem SID	223366174
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