METHOCARBAMOL


Trade Names	DELAXIN FORBAXIN METHOCARBAMOL ROBAXIN ROBAXIN-750
Synonyms	Delaxin Forbaxin Methocarbamol Miolaxin NSC-170960 Neuraxin Robaxin Robaxin-750
Status
Molecule Category	Free-form
ATC	M03BA03
UNII	125OD7737X
EPA CompTox	DTXSID6023286


InChI Key	GNXFOGHNGIVQEH-UHFFFAOYSA-N
Smiles	COc1ccccc1OCC(O)COC(N)=O
InChI	InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C11H15NO5
Molecular Weight	241.24
AlogP	0.53
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	91.01
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Mechanism of Action	Action	Reference
Carbonic anhydrase I inhibitor	INHIBITOR	PubMed

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	-	-	-	-	101.15-104.66

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	101.15-104.66

Target Conservation


Protein: Carbonic anhydrase I Description: Carbonic anhydrase 1 Organism : Homo sapiens P00915 ENSG00000133742

Countries
USA

Resources	Reference
ChEBI	77498
ChEMBL	CHEMBL1201117
DrugBank	DB00423
DrugCentral	1747
FDA SRS	125OD7737X
Human Metabolome Database	HMDB0014567
Guide to Pharmacology	6829
PharmGKB	PA164749506
PubChem	4107
SureChEMBL	SCHEMBL34365


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

METHOCARBAMOL

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Environmental Exposure

Cross References