ketoprofen

Ligand id: 4795

Name: ketoprofen

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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 4
Topological polar surface area 54.37
Molecular weight 254.09
XLogP 4.99
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
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
COX-1 Inhibitor Inhibition 6.5 pIC50 - 1
pIC50 6.5 (IC50 3.3x10-7 M) [1]
Description: Inhibition of COX1 in human whole blood.
COX-2 Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.9x10-7 M) [1]
Description: Inhibition of COX2 in human whole blood.
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
SMCT1 Inhibitor Inhibition 3.9 pIC50 - 2
pIC50 3.9 (IC50 1.19x10-4 M) [2]
Ligand mentioned in the following text fields