diclofenac

Ligand id: 2714

Name: diclofenac

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 49.33
Molecular weight 295.02
XLogP 4.12
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 ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
ASIC3 Channel blocker - 4.0 pIC50 -
pIC50 4.0 (IC50 9.2x10-5 M) sustained component
Selectivity at human nuclear hormone receptors
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Target Type Action Affinity Units Concentration range (M) Reference
Peroxisome proliferator-activated receptor-γ Antagonist Antagonist 6.2 pKi - 1
pKi 6.2 [1]
Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
COX-1 Inhibitor Inhibition 7.9 pIC50 - 4
pIC50 7.9 (IC50 1.2x10-8 M) [4]
COX-2 Inhibitor Inhibition 7.7 pIC50 - 2
pIC50 7.7 (IC50 2x10-8 M) [2]
Selectivity at unknown species nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Peroxisome proliferator-activated receptor-γ Agonist Partial agonist - - - 3
[3]