ketorolac   Click here for help

GtoPdb Ligand ID: 6661

Synonyms: Acular® | Toradol®
Approved drug Immunopharmacology Ligand
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.
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: ketorolac

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (1989))
IUPAC Name Click here for help
5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
5558 ketorolac
Synonyms Click here for help
Acular® | Toradol®
Database Links Click here for help
CAS Registry No. 74103-06-3 (source: SciFinder)
ChEMBL Ligand CHEMBL469
DrugBank Ligand DB00465
DrugCentral Ligand 1529
GtoPdb PubChem SID 178103273
PubChem CID 3826
Search Google for chemical match using the InChIKey OZWKMVRBQXNZKK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OZWKMVRBQXNZKK
Search PubMed clinical trials ketorolac
Search PubMed titles ketorolac
Search PubMed titles/abstracts ketorolac
UniChem Compound Search for chemical match using the InChIKey OZWKMVRBQXNZKK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OZWKMVRBQXNZKK-UHFFFAOYSA-N
Wikipedia Ketorolac