EcoDrugPlus


Synonyms	Ketorolac
Status
Molecule Category	Free-form
ATC	M01AB15 S01BC05
UNII	YZI5105V0L
EPA CompTox	DTXSID8023189


InChI Key	OZWKMVRBQXNZKK-UHFFFAOYSA-N
Smiles	O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
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)

Property Name	Value
Molecular Formula	C15H13NO3
Molecular Weight	255.27
AlogP	2.29
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	59.3
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Isomerase	-	230	-	-	-
Enzyme Oxidoreductase	-	140	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	140	-	-	-
Mus musculus	-	-	-	-	94.01
Rattus norvegicus	-	-	-	-	36.4-79.35

Resources	Reference
ChEBI	76223
ChEMBL	CHEMBL469
DrugBank	DB00465
DrugCentral	1529
FDA SRS	YZI5105V0L
Human Metabolome Database	HMDB0014608
Guide to Pharmacology	6661
KEGG	C07062
PharmGKB	PA450150
PubChem	3826
SureChEMBL	SCHEMBL14891

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

KETOROLAC

Structure

Physicochemical Descriptors

Pharmacology

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