EcoDrugPlus


Synonyms	MCN-2559 Tolectin Tolmetin
Status
Molecule Category	Free-form
ATC	M01AB03 M02AA21
UNII	D8K2JPN18B
EPA CompTox	DTXSID2043951


InChI Key	UPSPUYADGBWSHF-UHFFFAOYSA-N
Smiles	Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1
InChI	InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)

Property Name	Value
Molecular Formula	C15H15NO3
Molecular Weight	257.29
AlogP	2.19
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	59.3
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Secreted protein	-	90	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	90	-	-	74-90
Rattus norvegicus	-	-	-	-	34

Resources	Reference
ChEBI	71941
ChEMBL	CHEMBL1020
DrugBank	DB00500
DrugCentral	2699
FDA SRS	D8K2JPN18B
Human Metabolome Database	HMDB0014643
Guide to Pharmacology	7311
KEGG	C07149
PDB	TLT
PharmGKB	PA451721
PubChem	5509
SureChEMBL	SCHEMBL3150
ZINC	ZINC000000002191

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

TOLMETIN

Structure

Physicochemical Descriptors

Pharmacology

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