NAV

Glycovir

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

Identification

Generic Name
Glycovir
DrugBank Accession Number
DB13106
Background

Glycovir has been used in trials studying the treatment of HIV Infections.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 499.645
Monoisotopic: 499.314517413
Chemical Formula
C26H45NO8
Synonyms
Not Available
External IDs
  • NSC-670880
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Tetracarboxylic acids and derivatives
Direct Parent
Tetracarboxylic acids and derivatives
Alternative Parents
Fatty acid esters / Piperidines / Trialkylamines / Carboxylic acid esters / Amino acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic heteromonocyclic compound / Amine / Amino acid or derivatives / Azacycle / Carbonyl group / Carboxylic acid ester / Fatty acid ester / Fatty acyl / Hydrocarbon derivative / Organic nitrogen compound
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
QXJ91425UL
CAS number
131262-82-3
InChI Key
MKGDNVHZSCXBKR-KYVQNOJUSA-N
InChI
InChI=1S/C26H45NO8/c1-6-11-16-27-17-20(33-22(29)13-8-3)26(35-24(31)15-10-5)25(34-23(30)14-9-4)19(27)18-32-21(28)12-7-2/h19-20,25-26H,6-18H2,1-5H3/t19-,20+,25-,26-/m1/s1
IUPAC Name
[(2R,3R,4R,5S)-3,4,5-tris(butanoyloxy)-1-butylpiperidin-2-yl]methyl butanoate
SMILES
CCCCN1C[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1COC(=O)CCC

References

General References
Not Available
PubChem Compound
60807
PubChem Substance
347829230
ChemSpider
54795

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) 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 Solubility0.0224 mg/mLALOGPS
logP4.41ALOGPS
logP5.17Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)7.01Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area108.44 Å2Chemaxon
Rotatable Bond Count20Chemaxon
Refractivity129.26 m3·mol-1Chemaxon
Polarizability56.55 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-03k9-0009730000-1b49bb6a0542040a5701
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-9000300000-acc468294ffcd9a390fa
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0il3-0005930000-10e5509bf4a32afc6edd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-069c-9003300000-d679c0734a4e898067e2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ec-0117900000-a6201df7da1d15abbe38
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05dm-5006900000-6612df11ca76e0e47b6c
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]-239.7782286
predicted
DarkChem Lite v0.1.0
[M-H]-208.62706
predicted
DeepCCS 1.0 (2019)
[M+H]+240.3636286
predicted
DarkChem Lite v0.1.0
[M+H]+211.02263
predicted
DeepCCS 1.0 (2019)
[M+Na]+239.6890286
predicted
DarkChem Lite v0.1.0
[M+Na]+216.93515
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 03:10 / Updated at June 12, 2020 16:53