EcoDrugPlus


Synonyms	Parecoxib Rayzon SC-69124 Xapit
Status
Molecule Category	Free-form
ATC	M01AH04
UNII	9TUW81Y3CE
EPA CompTox	DTXSID1044229

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	TZRHLKRLEZJVIJ-UHFFFAOYSA-N
Smiles	CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1
InChI	InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H18N2O4S
Molecular Weight	370.43
AlogP	3.53
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	89.27
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	26.0

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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	5	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	5	-	-	-

Target Conservation


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

Cross References

Resources	Reference
ChEBI	73038
ChEMBL	CHEMBL1206690
DrugBank	DB08439
DrugCentral	2063
FDA SRS	9TUW81Y3CE
Guide to Pharmacology	2895
PDB	PXB
PharmGKB	PA166049193
PubChem	119828
SureChEMBL	SCHEMBL9529
ZINC	ZINC000005761797

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

PARECOXIB

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References