EcoDrugPlus


Trade Names	ACTRON KETOPROFEN NEXCEDE ORUDIS ORUDIS KT ORUVAIL
Synonyms	(rs)-ketoprofen 19583RP Actron Actron ketoprofen Alrheumat Aneol Axorid Capisten Fenoket 200 Hydratropic acid, m-benzoyl- IDEA-033 Iso-k Jomethid xl Ketocid 200 Ketonal
Status
Molecule Category	Free-form
ATC	M01AE03 M02AA10
UNII	90Y4QC304K
EPA CompTox	DTXSID6020771

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	DKYWVDODHFEZIM-UHFFFAOYSA-N
Smiles	CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChI	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H14O3
Molecular Weight	254.29
AlogP	3.11
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	54.37
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	19.0

Metabolites Network

Mechanism of Action	Action	Reference
Cyclooxygenase inhibitor	INHIBITOR	PubMed Wikipedia Wikipedia

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	2-800	-	-	0-100
Enzyme	-	2-800	-	-	0-100
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor	-	-	-	-	64
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	112.11-119.22
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	112.11-119.22
Homo sapiens	-	61-690	-	-	-9.4-100
Mus musculus	-	-	-	-	20-81
Oryctolagus cuniculus	-	-	-	-	0-40
Ovis aries	-	67-800	-	-	16-100
Rattus norvegicus	-	200	-	-	0.009-84

Target Conservation


Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 1 Organism : Homo sapiens P23219 ENSG00000095303












Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 2 Organism : Homo sapiens P35354 ENSG00000073756

Environmental Exposure

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Slovakia
Slovenia
Sweden

Cross References

Resources	Reference
ChEBI	6128
ChEMBL	CHEMBL571
DrugBank	DB01009
DrugCentral	1528
FDA SRS	90Y4QC304K
Human Metabolome Database	HMDB0015144
Guide to Pharmacology	4795
KEGG	C01716
PharmGKB	PA450149
PubChem	3825
SureChEMBL	SCHEMBL2896
ZINC	ZINC00005560

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

KETOPROFEN

Structure

Physicochemical Descriptors

Metabolites Network

Pharmacology

Target Conservation

Related Entries

Environmental Exposure

Cross References