Methcathinone
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Methcathinone
- DrugBank Accession Number
- DB15339
- Background
Methcathinone is under investigation in clinical trial NCT02617862 (PCI Imaging System in Pediatric Ophthalmology).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 163.2163
Monoisotopic: 163.099714043 - Chemical Formula
- C10H13NO
- Synonyms
- COSMOS
Pharmacology
- Indication
Not Available
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- 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
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 386QA522QG
- CAS number
- 5650-44-2
- InChI Key
- LPLLVINFLBSFRP-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
- IUPAC Name
- 2-(methylamino)-1-phenylpropan-1-one
- SMILES
- CNC(C)C(=O)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0041927
- ChemSpider
- 1519
- BindingDB
- 86285
- ChEMBL
- CHEMBL4070364
- Wikipedia
- Methcathinone
Clinical Trials
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 2.22 mg/mL ALOGPS logP 1.01 ALOGPS logP 1.61 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 18.76 Chemaxon pKa (Strongest Basic) 8.02 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 49.09 m3·mol-1 Chemaxon Polarizability 18.18 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
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4i-9600000000-6c14437af014bdcfb878 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0900000000-93e34ae2adef4333be98 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-066r-0900000000-d4547659f034d73d0d0f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-06si-0900000000-d516983e9c2de699e684 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-07gl-9700000000-09449754ffb1b7eab896 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a7i-5900000000-fce4666257c697057d6e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9200000000-4657c2ae24025a9f6110 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 140.0237478 predictedDarkChem Lite v0.1.0 [M-H]- 133.26994 predictedDeepCCS 1.0 (2019) [M+H]+ 140.4844478 predictedDarkChem Lite v0.1.0 [M+H]+ 136.33246 predictedDeepCCS 1.0 (2019) [M+Na]+ 140.0814478 predictedDarkChem Lite v0.1.0 [M+Na]+ 145.68306 predictedDeepCCS 1.0 (2019)
Drug created at May 20, 2019 15:16 / Updated at June 12, 2020 16:53