EcoDrugPlus


Synonyms	Mobiflex NSC-758397 RO 12-0068 RO 12-0068/000 RO-120068000 Tenoxicam Tilcotil
Status
Molecule Category	Free-form
ATC	M01AC02
UNII	Z1R9N0A399
EPA CompTox	DTXSID8045486


InChI Key	LZNWYQJJBLGYLT-UHFFFAOYSA-N
Smiles	CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
InChI	InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)

Property Name	Value
Molecular Formula	C13H11N3O4S2
Molecular Weight	337.38
AlogP	1.64
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	22.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	78.1-78.82

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	78.1-78.82

Resources	Reference
ChEBI	32192
ChEMBL	CHEMBL302795
DrugBank	DB00469
DrugCentral	2595
FDA SRS	Z1R9N0A399
PubChem	54677971
SureChEMBL	SCHEMBL25343
ZINC	ZINC000100006429

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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