EcoDrugPlus


Synonyms	COX-189 Lumiracoxib Prexige
Status
Molecule Category	Free-form
ATC	M01AH06
UNII	V91T9204HU
EPA CompTox	DTXSID9049035

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	KHPKQFYUPIUARC-UHFFFAOYSA-N
Smiles	Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1
InChI	InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H13ClFNO2
Molecular Weight	293.73
AlogP	4.16
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	49.33
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	20.0

Mechanism of Action	Action	Reference
Cyclooxygenase-2 inhibitor	INHIBITOR	PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	7-140	-	320	15-100

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	60-140	-	320	50-50
Mus musculus	-	40-114	-	750	15-100

Target Conservation


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

Cross References

Resources	Reference
ChEBI	73044
ChEMBL	CHEMBL404108
DrugBank	DB01283
DrugCentral	1618
FDA SRS	V91T9204HU
Human Metabolome Database	HMDB0015403
Guide to Pharmacology	2897
PDB	LUR
PharmGKB	PA164769031
PubChem	151166
SureChEMBL	SCHEMBL4479
ZINC	ZINC000000007563

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

LUMIRACOXIB

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References