Gefarnate

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

Identification

Name
Gefarnate
Accession Number
DB12079
Type
Small Molecule
Groups
Investigational
Description

Gefarnate has been investigated for the treatment and prevention of Stomach Ulcer, Duodenal Ulcer, and Cardio-cerebrovascular Disease.

Structure
Thumb
Synonyms
Not Available
External IDs
DA 688
Categories
UNII
1ISE2Y6ULA
CAS number
51-77-4
Weight
Average: 400.647
Monoisotopic: 400.334130657
Chemical Formula
C27H44O2
InChI Key
ZPACYDRSPFRDHO-ROBAGEODSA-N
InChI
InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+
IUPAC Name
(2E)-3,7-dimethylocta-2,6-dien-1-yl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
SMILES
[H]\C(CC\C(C)=C(/[H])CCC(=O)OC\C([H])=C(/C)CCC=C(C)C)=C(\C)CCC=C(C)C

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
5282182
PubChem Substance
347828385
ChemSpider
4445377
ChEBI
31646
ChEMBL
CHEMBL2105085
Wikipedia
Gefarnate
ATC Codes
A02BX77 — Gefarnate, combinations with psycholepticsA02BX07 — Gefarnate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2, 3RecruitingTreatmentCoronary Artery Disease1
3CompletedPreventionCardio-cerebrovascular Disease1
3CompletedTreatmentDuodenal Ulcer / Gastric Ulcer (GU)1
3TerminatedTreatmentDuodenal Ulcer / Gastric Ulcer (GU)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
PropertyValueSource
Water Solubility0.00102 mg/mLALOGPS
logP7.36ALOGPS
logP8.18ChemAxon
logS-5.6ALOGPS
pKa (Strongest Basic)-7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count15ChemAxon
Refractivity131.77 m3·mol-1ChemAxon
Polarizability51.47 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Fatty acid esters
Direct Parent
Wax monoesters
Alternative Parents
Sesquiterpenoids / Fatty alcohol esters / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Wax monoester skeleton / Farsesane sesquiterpenoid / Sesquiterpenoid / Fatty alcohol ester / Carboxylic acid ester / Monocarboxylic acid or derivatives / Carboxylic acid derivative / Organic oxygen compound / Organic oxide / Hydrocarbon derivative
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:19 / Updated on November 02, 2018 07:19