NAV

Levovirin

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

Identification

Generic Name
Levovirin
DrugBank Accession Number
DB06523
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 244.207
Monoisotopic: 244.080769502
Chemical Formula
C8H12N4O5
Synonyms
Not Available
External IDs
  • ICN-17261
  • R1270
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Pharmacology

Indication

Investigated for use/treatment in hepatitis (viral, C).

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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
Not Available

Interactions

Drug Interactions
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as triazole ribonucleosides and ribonucleotides. These are nucleoside derivatives containing a ribose (or deoxyribose) moiety which is N-glycosylated to a triazole. Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Triazole ribonucleosides and ribonucleotides
Sub Class
Not Available
Direct Parent
Triazole ribonucleosides and ribonucleotides
Alternative Parents
Glycosylamines / Pentoses / 2-heteroaryl carboxamides / Triazoles / Tetrahydrofurans / Heteroaromatic compounds / Secondary alcohols / Primary carboxylic acid amides / Oxacyclic compounds / Azacyclic compounds
show 5 more
Substituents
1,2,4-triazole / 2-heteroaryl carboxamide / Alcohol / Aromatic heteromonocyclic compound / Azacycle / Azole / Carboxamide group / Carboxylic acid derivative / Glycosyl compound / Heteroaromatic compound
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
ZGF0S6S33Q
CAS number
206269-27-4
InChI Key
IWUCXVSUMQZMFG-RGDLXGNYSA-N
InChI
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m0/s1
IUPAC Name
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide
SMILES
NC(=O)C1=NN(C=N1)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O

References

General References
Not Available
ChemSpider
405256
ChEMBL
CHEMBL274536
ZINC
ZINC000000896749

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility33.2 mg/mLALOGPS
logP-1.9ALOGPS
logP-2.8Chemaxon
logS-0.87ALOGPS
pKa (Strongest Acidic)11.88Chemaxon
pKa (Strongest Basic)-1.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area143.72 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity64.57 m3·mol-1Chemaxon
Polarizability21.99 Å3Chemaxon
Number of Rings2Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-004i-9520000000-65950e152be0319afb04
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-9700000000-41b200cea31fa7e0d322
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0590000000-8fa7b654425015327db3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9300000000-d5fb82593e054440fc52
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-9400000000-4f6ae50376ec39a61aa5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9710000000-bec507b3b864ac7abd45
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9700000000-ad3b00322a8e0e84b983
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]-157.9873852
predicted
DarkChem Lite v0.1.0
[M-H]-147.8057
predicted
DeepCCS 1.0 (2019)
[M+H]+158.7970852
predicted
DarkChem Lite v0.1.0
[M+H]+150.20125
predicted
DeepCCS 1.0 (2019)
[M+Na]+158.5255852
predicted
DarkChem Lite v0.1.0
[M+Na]+156.73819
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:35 / Updated at June 12, 2020 16:52