EcoDrugPlus


Synonyms	Mydeton N-553 FREE BASE N-553 [AS HYDROCHLORIDE] NSC-107321 Tolperisone Tolperisone hydrochloride
Status
Molecule Category	Free-form
ATC	M02AX06 M03BX04
UNII	F5EOM0LD8E
EPA CompTox	DTXSID8023686


InChI Key	FSKFPVLPFLJRQB-UHFFFAOYSA-N
Smiles	Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
InChI	InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3

Property Name	Value
Molecular Formula	C16H23NO
Molecular Weight	245.37
AlogP	3.3
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	20.31
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	18.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	5.24

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	5.24

Resources	Reference
ChEBI	93835
ChEMBL	CHEMBL1076211
DrugBank	DB06264
DrugCentral	2703
FDA SRS	F5EOM0LD8E
PubChem	5511
SureChEMBL	SCHEMBL148499

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

TOLPERISONE

Structure

Physicochemical Descriptors

Pharmacology

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