METAXALONE

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Search structure


Trade Names	METAXALONE SKELAXIN
Synonyms	AHR-438 Flexura Metaxalone NSC-170959 Skelaxin Zorane
Status
Molecule Category	Free-form
UNII	1NMA9J598Y
EPA CompTox	DTXSID3023269

Structure


InChI Key	IMWZZHHPURKASS-UHFFFAOYSA-N
Smiles	Cc1cc(C)cc(OCC2CNC(=O)O2)c1
InChI	InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C12H15NO3
Molecular Weight	221.26
AlogP	1.79
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	47.56
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	16.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	3.53
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	88.21-93.18

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	88.21-93.18
Homo sapiens	-	-	-	-	3.53

Environmental Exposure

Environmental Exposure Map

Countries
USA

Cross References

Resources	Reference
ChEBI	6797
ChEMBL	CHEMBL1079604
DrugBank	DB00660
DrugCentral	1722
FDA SRS	1NMA9J598Y
Human Metabolome Database	HMDB0014798
Guide to Pharmacology	7609
KEGG	C07934
PharmGKB	PA164747189
PubChem	15459
SureChEMBL	SCHEMBL34908

CONTENTS

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, and Henri Xhaard. EcoDrugPLUS: An advanced database for drug target conservation analysis and environmental risk assessment. Nucleic Acids Research. In press.

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025