ketorolac

Ligand id: 6661

Name: ketorolac

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: ketorolac

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 59.3
Molecular weight 255.09
XLogP 3.33
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 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 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).