Fenoverine

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

Identification

Name
Fenoverine
Accession Number
DB13042
Type
Small Molecule
Groups
Investigational
Description

Fenoverine has been used in trials studying the treatment of Irritable Bowel Syndrome.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
N274ZQ6PZJ
CAS number
37561-27-6
Weight
Average: 459.56
Monoisotopic: 459.161662851
Chemical Formula
C26H25N3O3S
InChI Key
UBAJTZKNDCEGKL-UHFFFAOYSA-N
InChI
InChI=1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2
IUPAC Name
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(10H-phenothiazin-10-yl)ethan-1-one
SMILES
O=C(CN1CCN(CC2=CC3=C(OCO3)C=C2)CC1)N1C2=CC=CC=C2SC2=CC=CC=C12

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
72098
PubChem Substance
347829174
ChemSpider
65083
ChEBI
135744
ChEMBL
CHEMBL1512949
Wikipedia
Fenoverine
ATC Codes
A03AX05 — Fenoverine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentIrritable Bowel Syndrome (IBS)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 Solubility0.0259 mg/mLALOGPS
logP3.55ALOGPS
logP4.03ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)16.18ChemAxon
pKa (Strongest Basic)6.64ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area45.25 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity130.3 m3·mol-1ChemAxon
Polarizability49.49 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
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 phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiazines
Sub Class
Phenothiazines
Direct Parent
Phenothiazines
Alternative Parents
Diarylthioethers / Alpha amino acids and derivatives / N-piperazineacetamides / Benzodioxoles / Aralkylamines / N-alkylpiperazines / 1,4-thiazines / Benzenoids / Tertiary carboxylic acid amides / Trialkylamines
show 7 more
Substituents
Phenothiazine / Diarylthioether / Alpha-amino acid or derivatives / N-piperazineacetamide / Benzodioxole / Aryl thioether / Aralkylamine / N-alkylpiperazine / Para-thiazine / 1,4-diazinane
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 20:21 / Updated on November 02, 2018 07:33