EcoDrugPlus


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

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

Search:

Exact

Similarity

SubStructure

Threshold (%) >= 70


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

Environmental Exposure

Countries
USA

Cross References

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

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

METHOCARBAMOL

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Environmental Exposure

Cross References