febuxostat   Click here for help

GtoPdb Ligand ID: 6817

Synonyms: Adenuric® | MX-67 | Tei 6720 | Tei-6720 | TMX 67 | Uloric®
Approved drug PDB Ligand
febuxostat is an approved drug (EMA & FDA (2009))
Compound class: Synthetic organic
Comment: Inhibits xanthine dehydrogenase
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 111.45
Molecular weight 316.09
XLogP 2.67
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C
Isomeric SMILES N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C
InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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Summary of Clinical Use Click here for help
Used to treat hyperuricemia and chronic gout
Mechanism Of Action and Pharmacodynamic Effects Click here for help
An inhibitor of xanthine oxidase thereby reducing the production of uric acid
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