aspirin

Ligand id: 4139

Name: aspirin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.6
Molecular weight 180.04
XLogP 2.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
ASIC3 Hs Channel blocker - 4.0 pIC50 - 3
pIC50 4.0 (IC50 9.2x10-5 M) sustained component [3]
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
COX-2 Hs Inhibitor Inhibition 5.6 pIC50 - 2
pIC50 5.6 (IC50 2.4x10-6 M) [2]
COX-1 Hs Inhibitor Inhibition 3.3 pIC50 - 1
pIC50 3.3 (IC50 5.601x10-4 M) [1]
Ligand mentioned in the following text fields