Vesnarinone

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

Identification

Name
Vesnarinone
Accession Number
DB12082
Type
Small Molecule
Groups
Investigational
Description

Vesnarinone has been used in trials studying the treatment of HIV Infections and Sarcoma, Kaposi.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
5COW40EV8M
CAS number
81840-15-5
Weight
Average: 395.4516
Monoisotopic: 395.184506303
Chemical Formula
C22H25N3O4
InChI Key
ZVNYJIZDIRKMBF-UHFFFAOYSA-N
InChI
InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
IUPAC Name
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1,2,3,4-tetrahydroquinolin-2-one
SMILES
COC1=C(OC)C=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C2NC(=O)CCC2=C1

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Vesnarinone.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Vesnarinone.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Vesnarinone.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Vesnarinone.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Vesnarinone.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Vesnarinone.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Vesnarinone.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Vesnarinone.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Vesnarinone.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Vesnarinone.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Vesnarinone.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Vesnarinone.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Vesnarinone.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Vesnarinone.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Vesnarinone.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Vesnarinone.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Vesnarinone.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Vesnarinone.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Vesnarinone.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Vesnarinone.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB42059
PubChem Compound
5663
PubChem Substance
347828388
ChemSpider
5461
BindingDB
50016980
ChEBI
31237
ChEMBL
CHEMBL17423

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections2
2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Kaposi s Sarcoma (KS)1
Not AvailableCompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1

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 Solubility0.0968 mg/mLALOGPS
logP2.34ALOGPS
logP2.24ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)15.28ChemAxon
pKa (Strongest Basic)2.94ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area71.11 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity112.53 m3·mol-1ChemAxon
Polarizability42.72 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
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-MSNot Available
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 n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
N-arylpiperazines
Alternative Parents
Aminoquinolines and derivatives / Hydroquinolones / Hydroquinolines / Dimethoxybenzenes / Benzamides / Phenoxy compounds / Anisoles / Benzoyl derivatives / Dialkylarylamines / Alkyl aryl ethers
show 9 more
Substituents
N-arylpiperazine / Aminoquinoline / Tetrahydroquinolone / Quinolone / Tetrahydroquinoline / Dimethoxybenzene / O-dimethoxybenzene / Benzamide / Benzoic acid or derivatives / Anisole
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:19 / Updated on November 09, 2017 05:01