EcoDrugPlus


Synonyms	CTX Lorcam Lornoxicam NSC-759620 RO 13-9297 RO-13-9297 RO-139297 Xefo
Status
Molecule Category	Free-form
ATC	M01AC05
UNII	ER09126G7A

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SubStructure

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InChI Key	WLHQHAUOOXYABV-UHFFFAOYSA-N
Smiles	CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O
InChI	InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C13H10ClN3O4S2
Molecular Weight	371.83
AlogP	2.3
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	99.6
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	23.0

Mechanism of Action	Action	Reference
Cyclooxygenase inhibitor	INHIBITOR	Other

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

Cross References

Resources	Reference
ChEBI	31783
ChEMBL	CHEMBL1569487
DrugBank	DB06725
DrugCentral	1609
FDA SRS	ER09126G7A
PubChem	54690031
SureChEMBL	SCHEMBL35101
ZINC	ZINC000100015491

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

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Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

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