allopurinol

Ligand id: 6795

Name: allopurinol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 53.16
Molecular weight 137.05
XLogP -0.32
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 human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
xanthine dehydrogenase Inhibitor Inhibition 5.2 pKi - 1
pKi 5.2 (Ki 7x10-6 M) [1]
xanthine dehydrogenase Inhibitor Inhibition 5.4 pIC50 - 1
pIC50 5.4 (IC50 4.2x10-6 M) [1]