This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Mephedrone
- DrugBank Accession Number
- DB13108
- Background
Mephedrone has been investigated in Alcohol-Related Disorders and Amphetamine-Related Disorders.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Mephedrone (DB13108)
- Weight
- Average: 177.2429
Monoisotopic: 177.115364107 - Chemical Formula
- C11H15NO
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol The therapeutic efficacy of Acebutolol can be decreased when used in combination with Mephedrone. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Mephedrone. Acemetacin The risk or severity of hypertension can be increased when Mephedrone is combined with Acemetacin. Acetazolamide Acetazolamide may decrease the excretion rate of Mephedrone which could result in a higher serum level. Acetophenazine Acetophenazine may decrease the stimulatory activities of Mephedrone. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbonyl compounds
- Direct Parent
- Alkyl-phenylketones
- Alternative Parents
- Phenylpropanes / Benzoyl derivatives / Aryl alkyl ketones / Toluenes / Alpha-amino ketones / Dialkylamines / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alkyl-phenylketone / Alpha-aminoketone / Amine / Aromatic homomonocyclic compound / Aryl alkyl ketone / Benzenoid / Benzoyl / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- amphetamines, propanone (CHEBI:59331)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8BA8T27317
- CAS number
- 1189805-46-6
- InChI Key
- YELGFTGWJGBAQU-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
- IUPAC Name
- 2-(methylamino)-1-(4-methylphenyl)propan-1-one
- SMILES
- CNC(C)C(=O)C1=CC=C(C)C=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0041923
- PubChem Compound
- 45266826
- PubChem Substance
- 347829232
- ChemSpider
- 21485694
- BindingDB
- 50236718
- ChEBI
- 59331
- ChEMBL
- CHEMBL4094396
- Wikipedia
- Mephedrone
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 1 Completed Not Available Alcohol Related Disorders / Amphetamine-Related Disorders 1 1 Completed Not Available Amphetamine-Related Disorders 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.715 mg/mL ALOGPS logP 1.33 ALOGPS logP 2.12 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 18.83 Chemaxon pKa (Strongest Basic) 8.05 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.1 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 54.13 m3·mol-1 Chemaxon Polarizability 20.66 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 150.4218236 predictedDarkChem Lite v0.1.0 [M-H]- 140.71446 predictedDeepCCS 1.0 (2019) [M+H]+ 150.8798236 predictedDarkChem Lite v0.1.0 [M+H]+ 143.49266 predictedDeepCCS 1.0 (2019) [M+Na]+ 150.1506236 predictedDarkChem Lite v0.1.0 [M+Na]+ 152.19057 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 03:13 / Updated at June 12, 2020 16:53