EcoDrugPlus


Synonyms	(rs)-mexiletine Dl-mexiletine Mexiletine
Status
Molecule Category	Free-form
ATC	C01BB02
UNII	1U511HHV4Z
EPA CompTox	DTXSID8048446


InChI Key	VLPIATFUUWWMKC-UHFFFAOYSA-N
Smiles	Cc1cccc(C)c1OCC(C)N
InChI	InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3

Property Name	Value
Molecular Formula	C11H17NO
Molecular Weight	179.26
AlogP	2.03
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	35.25
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	13.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor	-	-	-	-	-3--1

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	45	-	-	-	81

Resources	Reference
ChEBI	6916
ChEMBL	CHEMBL558
DrugBank	DB00379
DrugCentral	1794
FDA SRS	1U511HHV4Z
Human Metabolome Database	HMDB0014523
Guide to Pharmacology	2629
KEGG	C07220
PharmGKB	PA450488
PubChem	4178
SureChEMBL	SCHEMBL16081

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

MEXILETINE

Structure

Physicochemical Descriptors

Pharmacology

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