NAV

GET-73

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
GET-73
DrugBank Accession Number
DB12928
Background

Get 73 has been investigated for the treatment of Alcohol Dependence.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 275.271
Monoisotopic: 275.113313248
Chemical Formula
C13H16F3NO2
Synonyms
Not Available
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Trifluoromethylbenzenes
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
N-acyl amines / Secondary carboxylic acid amides / Dialkyl ethers / Organonitrogen compounds / Organofluorides / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Alkyl fluorides
Substituents
Alkyl fluoride / Alkyl halide / Aromatic homomonocyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Dialkyl ether / Ether / Fatty acyl / Fatty amide
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
U5CLZ223FH
CAS number
202402-01-5
InChI Key
QLZOWJNFLXSDSH-UHFFFAOYSA-N
InChI
InChI=1S/C13H16F3NO2/c1-19-8-2-3-12(18)17-9-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18)
IUPAC Name
4-methoxy-N-{[4-(trifluoromethyl)phenyl]methyl}butanamide
SMILES
COCCCC(=O)NCC1=CC=C(C=C1)C(F)(F)F

References

General References
Not Available
PubChem Compound
10221200
PubChem Substance
347829073
ChemSpider
8396692

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 Solubility0.0268 mg/mLALOGPS
logP2.35ALOGPS
logP2.15Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)14.72Chemaxon
pKa (Strongest Basic)-1.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area38.33 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity65.86 m3·mol-1Chemaxon
Polarizability26.3 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-MSsplash10-0a4j-7940000000-9c7da8cf77ef99aacd74
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0290000000-ad9425a1ebccafeb29a9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-2940000000-d8411f79dbe147debaf1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-4790000000-cb8ccf49fc6332154376
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ea-7910000000-a1a5bac03f674e86dec7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zms-5900000000-ff5801d8dc505394399f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-066r-9500000000-416911cd72e0d4aaf731
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]-165.42537
predicted
DeepCCS 1.0 (2019)
[M+H]+167.78337
predicted
DeepCCS 1.0 (2019)
[M+Na]+174.12486
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:21 / Updated at June 12, 2020 16:53