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

Identification
NameVesnarinone
Accession NumberDB12082
TypeSmall Molecule
GroupsInvestigational
Description

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

Structure
Thumb
SynonymsNot Available
External IDs Not Available
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII5COW40EV8M
CAS number81840-15-5
WeightAverage: 395.4516
Monoisotopic: 395.184506303
Chemical FormulaC22H25N3O4
InChI KeyZVNYJIZDIRKMBF-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
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Vesnarinone.Approved
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
DeslanosideDeslanoside may decrease the cardiotoxic activities of Vesnarinone.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Vesnarinone.Approved
DigoxinDigoxin 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
OleandrinAnvirzel may decrease the cardiotoxic activities of Vesnarinone.Experimental
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
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Vesnarinone.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
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
Properties
StateNot Available
Experimental PropertiesNot 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 featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganoheterocyclic compounds
Sub ClassDiazinanes
Direct ParentN-arylpiperazines
Alternative ParentsAminoquinolines and derivatives / Hydroquinolones / Hydroquinolines / Dimethoxybenzenes / Benzamides / Phenoxy compounds / Anisoles / Benzoyl derivatives / Dialkylarylamines / Alkyl aryl ethers
SubstituentsN-arylpiperazine / Aminoquinoline / Tetrahydroquinolone / Quinolone / Tetrahydroquinoline / Dimethoxybenzene / O-dimethoxybenzene / Benzamide / Benzoic acid or derivatives / Anisole
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 15:19 / Updated on September 01, 2017 12:16