Valomaciclovir

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

Identification

Name
Valomaciclovir
Accession Number
DB06575
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
EPB-348
Categories
UNII
F094Y61748
CAS number
195157-34-7
Weight
Average: 352.395
Monoisotopic: 352.185903277
Chemical Formula
C15H24N6O4
InChI Key
ATSZELKUSAREPW-ZJUUUORDSA-N
InChI
InChI=1S/C15H24N6O4/c1-8(2)10(16)14(24)25-4-3-9(6-22)5-21-7-18-11-12(21)19-15(17)20-13(11)23/h7-10,22H,3-6,16H2,1-2H3,(H3,17,19,20,23)/t9-,10+/m1/s1
IUPAC Name
(3R)-3-[(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)methyl]-4-hydroxybutyl (2S)-2-amino-3-methylbutanoate
SMILES
CC(C)[C@H](N)C(=O)OCC[C@@H](CO)CN1C=NC2=C1N=C(N)NC2=O

Pharmacology

Indication

Investigated for use/treatment in herpes zoster infections and viral infection.

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
DrugInteraction
(R)-warfarinThe serum concentration of Valomaciclovir can be increased when it is combined with (R)-warfarin.
2,5-Dimethoxy-4-ethylamphetamineThe risk or severity of adverse effects can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Valomaciclovir.
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when 2,5-Dimethoxy-4-ethylthioamphetamine is combined with Valomaciclovir.
3,4-MethylenedioxyamphetamineThe risk or severity of adverse effects can be increased when 3,4-Methylenedioxyamphetamine is combined with Valomaciclovir.
3,5-diiodothyropropionic acidThe serum concentration of Valomaciclovir can be increased when it is combined with 3,5-diiodothyropropionic acid.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Valomaciclovir.
6-Deoxyerythronolide BThe metabolism of Valomaciclovir can be decreased when combined with 6-Deoxyerythronolide B.
6-O-benzylguanineThe serum concentration of Valomaciclovir can be increased when it is combined with 6-O-benzylguanine.
7-Nitroindazole7-Nitroindazole may increase the excretion rate of Valomaciclovir which could result in a lower serum level and potentially a reduction in efficacy.
8-azaguanineThe serum concentration of Valomaciclovir can be increased when it is combined with 8-azaguanine.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
168312
ChEMBL
CHEMBL2107301

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentInfectious Mononucleosis1
2CompletedTreatmentHerpes Zoster1

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 Solubility3.03 mg/mLALOGPS
logP-0.78ALOGPS
logP-1.1ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)10.17ChemAxon
pKa (Strongest Basic)7.48ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area157.85 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity91.03 m3·mol-1ChemAxon
Polarizability36.06 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-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 alpha amino acid esters. These are ester derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid esters
Alternative Parents
Valine and derivatives / 6-oxopurines / Hypoxanthines / Pyrimidones / Aminopyrimidines and derivatives / Fatty acid esters / N-substituted imidazoles / Vinylogous amides / Heteroaromatic compounds / Carboxylic acid esters
show 8 more
Substituents
Alpha-amino acid ester / Valine or derivatives / 6-oxopurine / Hypoxanthine / Purine / Imidazopyrimidine / Aminopyrimidine / Fatty acid ester / Pyrimidone / Fatty acyl
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on March 19, 2008 10:37 / Updated on November 02, 2018 06:17