Ligand id: 6661

Name: ketorolac

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 59.3
Molecular weight 255.09
XLogP 2.07
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 enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
COX-1 Hs Inhibitor Inhibition 4.5 – 9.7 pIC50 - 1-2
pIC50 9.7 (IC50 1.9x10-10 M) [2]
pIC50 4.5 (IC50 3.15x10-5 M) [1]
Description: Instantaneous inhibition of human COX1 by compound (no pre-incubation).
COX-2 Hs Inhibitor Inhibition 4.2 – 6.9 pIC50 - 1
pIC50 6.9 (IC50 1.2x10-7 M) [1]
Description: Inhibition of human COX2 measured after pre-incubation of enzyme with compound.
pIC50 4.2 (IC50 6.05x10-5 M) [1]
Description: Instantaneous inhibition of human COX2 by compound (no pre-incubation).