AZD5904

Ligand id: 7728

Name: AZD5904

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 102.34
Molecular weight 252.07
XLogP 0.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one
Synonyms
AZD 5904 | AZD-5904
Comments
AZD5904 is compound TX4 in [1]. AZD5904 was developed as a myeloperoxidase (MPO; P05164) inhibitor, but was abandoned as a clinical candidate for the treatment of inflammatory conditions involving oxidative stress. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
Database Links
GtoPdb PubChem SID 223366061
PubChem CID 10264211
Search Google for chemical match using the InChIKey RSPDBEVKURKEII-ZCFIWIBFSA-N
Search Google for chemicals with the same backbone RSPDBEVKURKEII
Search UniChem for chemical match using the InChIKey RSPDBEVKURKEII-ZCFIWIBFSA-N
Search UniChem for chemicals with the same backbone RSPDBEVKURKEII