allopurinol   Click here for help

GtoPdb Ligand ID: 6795

Synonyms: Aloprim® | BW-56-158 | BW-56158 | Zyloprim®
Approved drug
allopurinol is an approved drug (FDA (1966), EMA (2018))
Compound class: Synthetic organic
Comment: Marketed formulations may contain (PubChem CID 16051976).
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 74.43
Molecular weight 136.04
XLogP 0.46
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=c1ncnc2c1c[nH][nH]2
Isomeric SMILES O=c1ncnc2c1c[nH][nH]2
InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
No information available.
Summary of Clinical Use Click here for help
Primarily used to treat hyperuricemia (excess uric acid in blood plasma) and its complications, including chronic gout. A fixed dose combination of allopurinol and the urate transporter inhibitor lesinurad (Duzallo®) was FDA approved in August 2017, for the treatment of gout that is not controlled by allopurinol alone. EMA approval for this combination was granted in 2018. Allopurinol sodium has been granted orphan designation by the EMA for the treatment of perinatal asphyxia.
External links Click here for help