NAV

Vesnarinone

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

Identification

Generic Name
Vesnarinone
DrugBank Accession Number
DB12082
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 395.4516
Monoisotopic: 395.184506303
Chemical Formula
C22H25N3O4
Synonyms
  • Vesnarinone
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Vesnarinone is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Vesnarinone is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Vesnarinone is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Vesnarinone is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Vesnarinone is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alkyl aryl ether / Amine / Amino acid or derivatives / Aminoquinoline / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzamide / Benzenoid / Benzoic acid or derivatives
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
5COW40EV8M
CAS number
81840-15-5
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

References

General References
Not Available
Human Metabolome Database
HMDB0042059
PubChem Compound
5663
PubChem Substance
347828388
ChemSpider
5461
BindingDB
50016980
ChEBI
31237
ChEMBL
CHEMBL17423
ZINC
ZINC000003781942
Wikipedia
Vesnarinone

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Kaposi's Sarcoma1
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections2
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-MSsplash10-00li-0927000000-754895724af1ecfea841
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-383b5f7c2f1d4adb9ebb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-fa1e76b0eefabc242ab9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0229000000-f291f5829496d7f0d51c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0139000000-637de40bfc6e8d547d67
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-07xr-0496000000-1b10e5481c07c4565c3a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lr-1196000000-b95ac5b16bf4c44a9379
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]-221.5876978
predicted
DarkChem Lite v0.1.0
[M-H]-220.5423978
predicted
DarkChem Lite v0.1.0
[M-H]-188.28566
predicted
DeepCCS 1.0 (2019)
[M+H]+222.1807978
predicted
DarkChem Lite v0.1.0
[M+H]+222.4599978
predicted
DarkChem Lite v0.1.0
[M+H]+190.64366
predicted
DeepCCS 1.0 (2019)
[M+Na]+222.2242978
predicted
DarkChem Lite v0.1.0
[M+Na]+220.8927978
predicted
DarkChem Lite v0.1.0
[M+Na]+197.32013
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:19 / Updated at February 21, 2021 18:53