Methocarbamol

Identification

Name
Methocarbamol
Accession Number
DB00423
Description

Methocarbamol was developed in the early 1950s as a treatment for muscle spasticity and the associated pain.6,7 It is a guaiacol glyceryl ether.7

Methocarbamol tablets and intramuscular injections are prescription medicines indicated in the United States as an adjunct to rest, physical therapy, and other measures for the relief of discomforts associated with acute, painful musculoskeletal conditions.Label,9 In Canada, methocarbamol can be sold as an over the counter oral medicine at a lower dose that may be combined with acetaminophen or ibuprofen.10 A combination product with acetylsalicylic acid and codeine is available in Canada by prescription.10

Methocarbamol was FDA approved on 16 July 1957.8

Type
Small Molecule
Groups
Approved, Vet approved
Structure
Thumb
Weight
Average: 241.2405
Monoisotopic: 241.095022595
Chemical Formula
C11H15NO5
Synonyms
  • (RS)-2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate
  • Methocarbamol
  • Méthocarbamol
  • Methocarbamolum
  • Metocarbamol
  • Metocarbamolo

Pharmacology

Indication

Methocarbamol tablets and intramuscular injections are indicated in the United States as an adjunct to rest, physical therapy, and other measures for the relief of discomforts associated with acute, painful musculoskeletal conditions.Label,9 Oral methocarbamol in America may be given up to 1500mg 4 times daily for 2-3 days.3

In Canada, methocarbamol containing oral formulations are sold over the counter for pain associated with muscle spasm.10 However, if these combination formulations include codeine, they are prescription only.10

Associated Conditions
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More
Pharmacodynamics

Methacarbamol is a skeletal muscle relaxant with an unknown mechanism of action.5 Methacarbamol has been shown to block spinal polysynaptic reflexes, decrease nerve transmission in spinal and supraspinal polysynaptic pathways, and prolong the refractory period of muscle cells.5,4 Methocarbamol does not act as a local anesthetic upon injection.4 In animal studies, methocarbamol also prevents convulsions after electric shock.5

Mechanism of action

The mechanism of action of methocarbamol is thought to be dependant on its central nervous system depressant activity.3 This action may be mediated through blocking spinal polysynaptic reflexes, decreasing nerve transmission in spinal and supraspinal polysynaptic pathways, and prolonging the refractory period of muscle cells.5,4 Methocarbamol has been found to have no effect on contraction of muscle fibres, motor end plates, or nerve fibres.9

TargetActionsOrganism
NCarbonic anhydrase 1
inhibitor
Humans
Absorption

The time to maximum concentration is 1.1 hours for both healthy patients and those on hemodialysis.1 The maximum plasma concentration is 21.3mg/L for healthy patients and 28.7mg/L in hemodialysis patients.1 The area under the curve for healthy patients is 52.5mg/L*hr and 87.1mg/L*hr in hemodialysis patients.1 AUC% based on terminal elimination half life is 2% for healthy patients and 4% for hemodialysis patients.1

Older studies report maximum plasma concentrations in 0.5 hours.2

Volume of distribution

Volume of distribution data in humans is scarce. In horses, the volume of distribution is 515-942mL/kg at steady state or 724-1130mL/kg.5

Protein binding

Methocarbamol is 46-50% protein bound in healthy patients and 47.3-48.9% protein bound in hemodialysis patients.1

Metabolism

Methocarbamol is metabolized in the liver by demethylation to 3-(2-hydroxyphenoxy)-1,2-propanediol-1-carbamate or hydroxylation to 3-(4-hydroxy-2-methoxyphenoxy)-1,2-propanediol-1-carbamate.2 Methocarbamol and its metabolites are conjugated through glucuronidation or sulfation.2

Hover over products below to view reaction partners

Route of elimination

In humans the majority of the dose is eliminated in the urine.2 In dogs, 88.85% of the dose is eliminated in urine and 2.14% in the feces.2 In rats, 84.5-92.5% of the dose is eliminated in the urine and 0-13.3% is eliminated in the feces.2

Half-life

The elimination half life is 1.14 hours in healthy subjects and 1.24 hours in subjects with renal insufficiency.1 Older studies report half lives of 1.6-2.15 hours.2

Clearance

0.2-0.8L/h/kg.9

Adverse Effects
Learn about our commercial Adverse Effects data.
Learn More
Toxicity

Overdose of methocarbamol may be associated with alcohol and other central nervous system depressants.Label Patients may experience nausea, drowsiness, blurred vision, hypotension, seizures, and coma.Label Treatment of overdose is generally through airway maintenance, monitoring urinary output, vital signs, and giving fluid intravenously if necessary.Label

The oral LD50 in rats is 3576.2mg/kg.10

The FDA has classified methocarbamol as pregnancy category C.Label Animal and human studies have not been performed to determine the risks to a fetus, however fetal and congenital abnormalities have been reported.Label Methocarbamol is excreted in the milk of dogs, however it is unknown if this is also the case for humans.Label Caution should be exercised when taking methocarbamol while breastfeeding.Label

Studies to assess the carcinogenicity, mutagenicity, or effects on fertility of methocarbamol have not been performed.Label

Affected organisms
  • Humans and other mammals
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AcetazolamideThe risk or severity of adverse effects can be increased when Methocarbamol is combined with Acetazolamide.
AcetophenazineThe risk or severity of adverse effects can be increased when Methocarbamol is combined with Acetophenazine.
AclidiniumMethocarbamol may increase the central nervous system depressant (CNS depressant) activities of Aclidinium.
AgomelatineThe risk or severity of adverse effects can be increased when Methocarbamol is combined with Agomelatine.
AlfentanilThe risk or severity of adverse effects can be increased when Methocarbamol is combined with Alfentanil.
AlimemazineThe risk or severity of adverse effects can be increased when Methocarbamol is combined with Alimemazine.
AlmotriptanThe risk or severity of adverse effects can be increased when Methocarbamol is combined with Almotriptan.
AlosetronThe risk or severity of adverse effects can be increased when Methocarbamol is combined with Alosetron.
AlprazolamThe risk or severity of adverse effects can be increased when Alprazolam is combined with Methocarbamol.
AlverineThe risk or severity of adverse effects can be increased when Methocarbamol is combined with Alverine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
  • Avoid alcohol.
  • Take with or without food. The absorption is unaffected by food.

Products

Product Images
International/Other Brands
Bolaxin (Ying Yuan) / Carbaflex (Paill) / Delaxin / DoloVisan (Dr.Kade Pharmaceutische Fabrik) / Fubaxin (Grape King) / Lumirelax (Juvise) / Metocarbamol (AZ Pharma) / Mioflex (Labinco) / Miorel (Cheminter) / Musxan (Pharmasant) / Ortoton (Recordati) / Rebamol (Winston) / Robaxin-750 (Pfizer) / Robinax (Khandelwal) / Sinaxar (Armofar) / Taspan (Honten)
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
MethocarbamolTablet750 mg/1OralLannett Company, Inc.2007-06-19Not applicableUS flag
MethocarbamolTablet750 mg/1OralVintage Pharmaceuticals, LLC2007-09-132007-09-13US flag
MethocarbamolTablet500 mg/1OralLannett Company, Inc.2007-06-19Not applicableUS flag
MethocarbamolTablet500 mg/1OralVintage Pharmaceuticals, LLC2007-09-132007-09-13US flag
Methocarbamol Inj 100mg/mlLiquidIntramuscular; IntravenousUnivet Pharmaceuticals Ltd.1988-12-31Not applicableCanada flag
Methocarbamol OmegaLiquidIntramuscular; IntravenousOmega Laboratories Ltd2003-07-28Not applicableCanada flag
Robaximol Inj 100mg/mlLiquidIntramuscular; IntravenousMontreal Veterinary Products Inc.1989-12-31Not applicableCanada flag
RobaxinInjection, solution100 mg/1mLIntramuscular; IntravenousBaxter Laboratories2003-12-222014-04-30US flag
RobaxinInjection100 mg/1mLIntramuscular; IntravenousWest-Ward Pharmaceuticals Corp.2017-10-17Not applicableUS flag
RobaxinTablet500 mg/1OralRemedy Repack2012-07-232013-07-24US flag
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

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  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Generic Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Methocarb 500-EZSKit500 mg/1OralPureTek Corporation2018-10-23Not applicableUS flag
MethocarbamolTablet, film coated750 mg/1OralClinical Solutions Wholesale, LLC2017-07-062018-10-30US flag
MethocarbamolTablet500 mg/1OralClinical Solutions Wholsesale2000-01-012017-06-15US flag
MethocarbamolTablet, coated750 mg/1OralA-S Medication Solutions2018-07-02Not applicableUS flag
MethocarbamolTablet500 mg/1OralMajor1976-08-112014-08-31US flag
MethocarbamolTablet, film coated500 mg/1Oralbryant ranch prepack2018-01-15Not applicableUS flag
MethocarbamolTablet500 mg/1OralRebel Distributors2000-01-01Not applicableUS flag
MethocarbamolTablet750 mg/1OralSolco Healthcare Llc2013-01-15Not applicableUS flag43547 0226 50 nlmimage10 ae40d766
MethocarbamolTablet500 mg/1OralKAISER FOUNDATION HOSPITALS2008-08-022016-06-30US flag
MethocarbamolTablet750 mg/1OralOxford Pharmaceuticals, Llc2019-08-15Not applicableUS flag
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

    Learn more
  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
RobaxinTablet500 mgOralGlaxosmithkline Inc1958-12-31Not applicableCanada flag
Robaxin 750TabletOralGlaxosmithkline Inc1993-12-31Not applicableCanada flag
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

    Learn more
  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
A.S.A. With Methocarbamol Night-time Extra StrengthMethocarbamol (400 mg) + Acetylsalicylic acid (500 mg)TabletOralCellchem Pharmaceuticals Inc.Not applicableNot applicableCanada flag
Acetaminophen 325mg + Methocarbamol 400mg CapletsMethocarbamol (400 mg) + Acetaminophen (325 mg)TabletOralMarcan Pharmaceuticals IncNot applicableNot applicableCanada flag
Acetaminophen 500mg + Methocarbamol 400mg Extra Strength CapletsMethocarbamol (400 mg) + Acetaminophen (500 mg)TabletOralMarcan Pharmaceuticals IncNot applicableNot applicableCanada flag
Advil Back PainMethocarbamol (500 mg) + Ibuprofen (200 mg)TabletOralGlaxosmithkline Consumer Healthcare UlcNot applicableNot applicableCanada flag
Analgesic and Muscle RelaxantMethocarbamol (500 mg) + Ibuprofen (400 mg)TabletOralPharmascience Inc2012-03-20Not applicableCanada flag
Analgesic and Muscle Relaxant CapletsMethocarbamol (500 mg) + Ibuprofen (200 mg)TabletOralTEVA Canada Limited2009-11-18Not applicableCanada flag
Aspirin BackacheMethocarbamol (400 mg) + Acetylsalicylic acid (325 mg)TabletOralBayerNot applicableNot applicableCanada flag
Aspirin Night-timeMethocarbamol (400 mg) + Acetylsalicylic acid (500 mg)TabletOralBayer Inc Consumer Care2006-05-242010-08-05Canada flag
Axacet-C1/8Methocarbamol (400 mg) + Acetaminophen (325 mg) + Codeine phosphate (8 mg)TabletOralTechnilab Pharma Inc.Not applicableNot applicableCanada flag
Axisal-C1/8Methocarbamol (400 mg) + Acetylsalicylic acid (325 mg) + Codeine phosphate (8 mg)TabletOralTechnilab Pharma Inc.Not applicableNot applicableCanada flag

Categories

ATC Codes
M03BA73 — Methocarbamol, combinations with psycholepticsM03BA03 — MethocarbamolM03BA53 — Methocarbamol, combinations excl. psycholeptics
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Anisoles
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds / Methoxybenzenes / Alkyl aryl ethers / Carbamate esters / Secondary alcohols / Organic carbonic acids and derivatives / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Alcohol / Alkyl aryl ether / Anisole / Aromatic homomonocyclic compound / Carbamic acid ester / Carbonic acid derivative / Carbonyl group / Ether / Hydrocarbon derivative / Methoxybenzene
show 9 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
carbamate ester, aromatic ether, secondary alcohol (CHEBI:77498)

Chemical Identifiers

UNII
125OD7737X
CAS number
532-03-6
InChI Key
GNXFOGHNGIVQEH-UHFFFAOYSA-N
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)
IUPAC Name
2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate
SMILES
COC1=C(OCC(O)COC(N)=O)C=CC=C1

References

General References
  1. Sica DA, Comstock TJ, Davis J, Manning L, Powell R, Melikian A, Wright G: Pharmacokinetics and protein binding of methocarbamol in renal insufficiency and normals. Eur J Clin Pharmacol. 1990;39(2):193-4. [PubMed:2253675]
  2. Bruce RB, Turnbull LB, Newman JH: Metabolism of methocarbamol in the rat, dog, and human. J Pharm Sci. 1971 Jan;60(1):104-6. [PubMed:5548215]
  3. Witenko C, Moorman-Li R, Motycka C, Duane K, Hincapie-Castillo J, Leonard P, Valaer C: Considerations for the appropriate use of skeletal muscle relaxants for the management of acute low back pain. P T. 2014 Jun;39(6):427-35. [PubMed:25050056]
  4. Crankshaw DP, Raper C: Mephenesin, methocarbamol, chlordiazepoxide and diazepam: actions on spinal reflexes and ventral root potentials. Br J Pharmacol. 1970 Jan;38(1):148-56. doi: 10.1111/j.1476-5381.1970.tb10343.x. [PubMed:5413283]
  5. Muir WW 3rd, Sams RA, Ashcraft S: The pharmacology and pharmacokinetics of high-dose methocarbamol in horses. Equine Vet J Suppl. 1992 Feb;(11):41-4. [PubMed:9109959]
  6. Authors unspecified: Methocarbamol-A New Lissive Agent. Can Med Assoc J. 1958 Dec 15;79(12):1008-9. [PubMed:20325834]
  7. O'DOHERTY DS, SHIELDS CD: Methocarbamol; new agent in treatment of neurological and neuromuscular diseases. J Am Med Assoc. 1958 May 10;167(2):160-3. [PubMed:13538683]
  8. FDA Approved Drug Products: Robaxin [Link]
  9. FDA Approved Drug Products: Robaxin Intramuscular Injection [Link]
  10. Pfizer Canada: Robax [Link]
Human Metabolome Database
HMDB0014567
KEGG Drug
D00402
PubChem Compound
4107
PubChem Substance
46507761
ChemSpider
3964
BindingDB
50239995
RxNav
6845
ChEBI
77498
ChEMBL
CHEMBL1201117
PharmGKB
PA164749506
RxList
RxList Drug Page
Drugs.com
Drugs.com Drug Page
PDRhealth
PDRhealth Drug Page
Wikipedia
Methocarbamol
AHFS Codes
  • 12:20.04 — Centrally Acting Skeletal Muscle Relaxants
FDA label
Download (121 KB)
MSDS
Download (78.8 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentBack Pain Lower Back1
4CompletedTreatmentRib Fractures / Wounds and Injuries1
3CompletedTreatmentPain1
3CompletedTreatmentSclerosis, Progressive Systemic1
3RecruitingTreatmentLiver Cirrhosis1
2CompletedTreatmentCongestive Heart Failure (CHF)1
2CompletedTreatmentCoronary Artery Disease (CAD)1
2CompletedTreatmentSclerosis, Progressive Systemic1
2Unknown StatusOtherCardiovascular Heart Disease / Type 2 Diabetes Mellitus1
2, 3CompletedTreatmentCongestive Heart Failure (CHF)1

Pharmacoeconomics

Manufacturers
  • Marsam pharmaceuticals llc
  • Watson laboratories inc
  • Baxter healthcare corp anesthesia critical care
  • Ferndale laboratories inc
  • Forest laboratories inc
  • Able laboratories inc
  • American therapeutics inc
  • Ascot hosp pharmaceuticals inc div travenol laboratories inc
  • Clonmel healthcare ltd
  • Heather drug co inc
  • Hetero drugs ltd
  • Impax laboratories inc
  • Inwood laboratories inc sub forest laboratories inc
  • Ivax pharmaceuticals inc sub teva pharmaceuticals usa
  • Kv pharmaceutical co
  • Lannett co inc
  • Mutual pharmaceutical co inc
  • Mylan pharmaceuticals inc
  • Nylos trading co inc
  • Pharmeral inc
  • Pioneer pharmaceuticals inc
  • Purepac pharmaceutical co
  • Roxane laboratories inc
  • Sandoz inc
  • Solco healthcare us llc
  • Solvay pharmaceuticals
  • Superpharm corp
  • Tablicaps inc
  • Upsher smith laboratories inc
  • Vintage pharmaceuticals inc
  • West ward pharmaceutical corp
  • Schwarz pharma inc
Packagers
  • Aidarex Pharmacuticals LLC
  • Amerisource Health Services Corp.
  • Amneal Pharmaceuticals
  • Apical Pharmaceutical Corporation
  • Apotheca Inc.
  • A-S Medication Solutions LLC
  • Baxter International Inc.
  • Blenheim Pharmacal
  • Bryant Ranch Prepack
  • C.O. Truxton Inc.
  • Cardinal Health
  • Caremark LLC
  • Carlisle Laboratories Inc.
  • Comprehensive Consultant Services Inc.
  • Corepharma LLC
  • Coupler Enterprises Inc.
  • Direct Dispensing Inc.
  • DispenseXpress Inc.
  • Dispensing Solutions
  • Diversified Healthcare Services Inc.
  • Group Health Cooperative
  • H and H Laboratories
  • H.J. Harkins Co. Inc.
  • Heartland Repack Services LLC
  • Hetero Drugs Ltd.
  • Innoviant Pharmacy Inc.
  • Ivax Pharmaceuticals
  • Kaiser Foundation Hospital
  • Keltman Pharmaceuticals Inc.
  • Lake Erie Medical and Surgical Supply
  • Lannett Co. Inc.
  • Liberty Pharmaceuticals
  • Major Pharmaceuticals
  • Marisol Corp.
  • Martin Surgical Supply
  • Mckesson Corp.
  • Medisca Inc.
  • Merit Pharmaceuticals
  • Murfreesboro Pharmaceutical Nursing Supply
  • Nucare Pharmaceuticals Inc.
  • Palmetto Pharmaceuticals Inc.
  • Par Pharmaceuticals
  • Patient First Corp.
  • PCA LLC
  • PD-Rx Pharmaceuticals Inc.
  • Pharmaceutical Utilization Management Program VA Inc.
  • Pharmacy Service Center
  • Pharmedix
  • Pharmpak Inc.
  • Physicians Total Care Inc.
  • Preferred Pharmaceuticals Inc.
  • Prepackage Specialists
  • Prepak Systems Inc.
  • Qualitest
  • Rebel Distributors Corp.
  • Redpharm Drug
  • Remedy Repack
  • Resource Optimization and Innovation LLC
  • Sandoz
  • Schein Pharmaceutical Inc.
  • Schwarz Pharma Inc.
  • Southwood Pharmaceuticals
  • St Mary's Medical Park Pharmacy
  • Stat Rx Usa
  • Talbert Medical Management Corp.
  • United Research Laboratories Inc.
  • Va Cmop Dallas
  • Vangard Labs Inc.
  • Vintage Pharmaceuticals Inc.
  • Watson Pharmaceuticals
  • West-Ward Pharmaceuticals
Dosage Forms
FormRouteStrength
Tablet500 mg
TabletOral200 mg
Tablet, film coatedOral200 mg
Tablet, coatedOral400 mg
Tablet, coatedOral750 mg
Tablet250 mg
KitOral500 mg/1
InjectionIntramuscular; Intravenous100 mg/1mL
InjectionParenteral100 mg/1mL
Injection, solutionIntramuscular; Intravenous1000 mg/10mL
TabletOral500 mg/1
TabletOral750 mg/1
Tablet, coatedOral500 mg/1
Tablet, coatedOral750 mg/1
SolutionIntramuscular; Intravenous0.1 g
Tablet, coatedOral200 mg
TabletOral750 mg
SolutionIntramuscular; Intravenous1 g
TabletOral375 mg
Tablet, coatedOral500 mg
Tablet, film coatedOral750 mg
TabletOral
Tablet, coatedOral325 mg
Injection, solutionIntramuscular; Intravenous100 mg/1mL
TabletOral500 mg
Tablet, film coatedOral500 mg/1
Tablet, film coatedOral750 mg/1
TabletOral
LiquidIntramuscular; Intravenous
Tablet25 mg
TabletOral350 mg
Tablet, film coatedOral400 mg
Prices
Unit descriptionCostUnit
Robaxin-750 750 mg tablet2.48USD tablet
Robaxin 100 mg/ml vial2.2USD ml
Robaxin-750 tablet1.99USD tablet
Robaxin 500 mg tablet1.68USD tablet
Methocarbamol powder0.95USD g
Methocarbamol 750 mg tablet0.49USD tablet
Methocarbamol 500 mg tablet0.38USD tablet
DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)92MSDS
water solubility2.5g/100mLMSDS
logP0.61CHEM INSPECT TEST INST (1992)
Predicted Properties
PropertyValueSource
Water Solubility4.21 mg/mLALOGPS
logP0.63ALOGPS
logP0.45ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)13.6ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area91.01 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity59.07 m3·mol-1ChemAxon
Polarizability24.28 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9638
Blood Brain Barrier+0.5747
Caco-2 permeable-0.6689
P-glycoprotein substrateNon-substrate0.6452
P-glycoprotein inhibitor INon-inhibitor0.9411
P-glycoprotein inhibitor IINon-inhibitor0.8887
Renal organic cation transporterNon-inhibitor0.9105
CYP450 2C9 substrateNon-substrate0.8431
CYP450 2D6 substrateNon-substrate0.7658
CYP450 3A4 substrateNon-substrate0.606
CYP450 1A2 substrateInhibitor0.9107
CYP450 2C9 inhibitorNon-inhibitor0.9302
CYP450 2D6 inhibitorNon-inhibitor0.9231
CYP450 2C19 inhibitorNon-inhibitor0.9066
CYP450 3A4 inhibitorNon-inhibitor0.9338
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9542
Ames testNon AMES toxic0.5776
CarcinogenicityNon-carcinogens0.9406
BiodegradationNot ready biodegradable0.8358
Rat acute toxicity2.2930 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.984
hERG inhibition (predictor II)Non-inhibitor0.9411
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-02t9-0900000000-97aeacf66e8410c23139
MS/MS Spectrum - , positiveLC-MS/MSsplash10-02t9-2900000000-df41a784aa756b8e064d

Targets

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Inhibitor
General Function
Zinc ion binding
Specific Function
Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.
Gene Name
CA1
Uniprot ID
P00915
Uniprot Name
Carbonic anhydrase 1
Molecular Weight
28870.0 Da
References
  1. Parr JS, Khalifah RG: Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50. [PubMed:1460006]

Drug created on June 13, 2005 07:24 / Updated on October 21, 2020 01:55

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