ketorolac   

GtoPdb Ligand ID: 6661

Synonyms: Acular® | Toradol®
ketorolac is an approved drug (FDA (1989))
Compound class: Synthetic organic
Comment: Ketorolac is a heterocyclic acetic acid class non-steroidal anti-inflammatory drug (NSAID). It acts as a non-selective COX inhibitor. The administered drug is a racemic mixture of enantiomers. We show the chemical structure without specified stereochemistry to represent the mixture.
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2D Structure
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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
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Isomeric SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
InChI Key OZWKMVRBQXNZKK-UHFFFAOYSA-N
No information available.
Summary of Clinical Use
Approved for short-term management of moderately severe acute pain and prophylaxis and reduction of inflammation and associated symptoms following ocular surgery.
Mechanism Of Action and Pharmacodynamic Effects
For an overview of the mechanism of action of ketorolac, please use the link to the DrugBank page for this ligand which is on the 'Summary' tab.