NAV

Methcathinone

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
3D
Similar Structures
Weight
Average: 163.2163
Monoisotopic: 163.099714043
Chemical Formula
C10H13NO
Synonyms
  • COSMOS
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
Human Metabolome Database
HMDB0041927
ChemSpider
1519
BindingDB
86285
ChEMBL
CHEMBL4070364
Wikipedia
Methcathinone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility2.22 mg/mLALOGPS
logP1.01ALOGPS
logP1.61Chemaxon
logS-1.9ALOGPS
pKa (Strongest Acidic)18.76Chemaxon
pKa (Strongest Basic)8.02Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area29.1 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity49.09 m3·mol-1Chemaxon
Polarizability18.18 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-9600000000-6c14437af014bdcfb878
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-93e34ae2adef4333be98
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-066r-0900000000-d4547659f034d73d0d0f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-06si-0900000000-d516983e9c2de699e684
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-07gl-9700000000-09449754ffb1b7eab896
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a7i-5900000000-fce4666257c697057d6e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9200000000-4657c2ae24025a9f6110
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-140.0237478
predicted
DarkChem Lite v0.1.0
[M-H]-133.26994
predicted
DeepCCS 1.0 (2019)
[M+H]+140.4844478
predicted
DarkChem Lite v0.1.0
[M+H]+136.33246
predicted
DeepCCS 1.0 (2019)
[M+Na]+140.0814478
predicted
DarkChem Lite v0.1.0
[M+Na]+145.68306
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 15:16 / Updated at June 12, 2020 16:53