febuxostat

Ligand id: 6817

Name: febuxostat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 111.45
Molecular weight 316.09
XLogP 2.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at bovine enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
xanthine dehydrogenase Inhibitor Inhibition 9.9 pKi - 2
pKi 9.9 (Ki 1.2x10-10 M) [2]
Description: In vitro assay using purified bovine enzyme
xanthine dehydrogenase Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3x10-8 M) [1]
Description: In vitro assay using purified bovine enzyme