phenylbutazone

Ligand id: 7270

Name: phenylbutazone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 40.62
Molecular weight 308.15
XLogP 5.66
No. Lipinski's rules broken 1

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
COX-1 Inhibitor Inhibition 5.5 pIC50 - 1
pIC50 5.5 (IC50 3x10-6 M) [1]
COX-2 Inhibitor Inhibition 3.5 pIC50 - 2
pIC50 3.5 (IC50 2.84x10-4 M) [2]