Valaciclovir (CED0003251)

Record Information
Version1.0
Creation Date2009-07-30 17:59:13 UTC
Update Date2026-05-14 16:42:52 UTC
SynCED IDCED0003251
Secondary Accession Numbers
  • CHEM002535
  • T3D3542
Identification
Common NameValaciclovir
ClassSmall Molecule
Description
Valaciclovir is an exogenous solid with the formula C13H20N6O4 and an average molecular weight of 324.34 g/mol. Valaciclovir belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is an antiviral drug used in the management of herpes simplex and herpes zoster (shingles) and acts as a prodrug that is converted in vivo to aciclovir. It is marketed under the trade names Valtrex or Zelitrex. The recorded exposure route for this compound is oral. It is found in or released from two recorded sources: electrical and electronic equipment (antennas) and healthcare, pharmaceuticals, and veterinary products (antivirals). Valaciclovir has two recorded protein targets, acting as an inhibitor/substrate of thymidine kinase (TK) and the DNA polymerase catalytic subunit.
Contaminant Type
  • Amide
  • Amine
  • Antiviral Agent
  • Drug
  • Ester
  • Ether
  • Metabolite
  • Organic Compound
  • Prodrug
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanineChEBI
L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl esterChEBI
ValacyclovirKegg
ValtrexKegg
Valacyclover hydrochloricHMDB
Valacyclovir hydrochlorideHMDB
Valacyclovir, (D)-isomerHMDB
Valacyclovir, (L)-isomerHMDB
2-((2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl L-valinateHMDB
Valacyclovir hydrochloride, (DL)-isomerHMDB
Valacyclovir, X-hydrochloride, (D)-isomerHMDB
Valacyclovir, X-hydrochloride, (DL)-isomerHMDB
L-ValylacyclovirHMDB
Acyclovir, L-valyl esterHMDB
Valacyclovir, (DL)-isomerHMDB
ValaciclovirMeSH
Chemical FormulaC13H20N6O4
Average Molecular Mass324.336 g/mol
Monoisotopic Mass324.155 g/mol
CAS Registry Number124832-26-4
IUPAC Name2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
Traditional Namevaltrex
SMILESCC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1NC(N)=NC2=O
InChI IdentifierInChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
InChI KeyHDOVUKNUBWVHOX-QMMMGPOBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acid esters
Alternative Parents
Substituents
  • Alpha-amino acid ester
  • Valine or derivatives
  • 6-oxopurine
  • Hypoxanthine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Pyrimidone
  • Fatty acid ester
  • N-substituted imidazole
  • Pyrimidine
  • Fatty acyl
  • Azole
  • Heteroaromatic compound
  • Vinylogous amide
  • Imidazole
  • Carboxylic acid ester
  • Azacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Organooxygen compound
  • Primary amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Primary aliphatic amine
  • Amine
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceThe blue, film-coated caplets are printed with edible white ink.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
Solubility3.55e+00 g/L
Predicted Properties
PropertyValueSource
Water Solubility3.55 g/LALOGPS
logP-0.84ALOGPS
logP-0.45ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)8.1ChemAxon
pKa (Strongest Basic)7.36ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area146.85 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity80.63 m³·mol⁻¹ChemAxon
Polarizability31.96 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00di-9210000000-51af1895b69904867582Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-1910000000-3db14f76ba496cea0d81Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-2900000000-a3e92ac9125245cf5513Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-016r-0910000000-01375a23cf811e488a21Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-1913000000-e8d1da3daee2d7637783Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-2900000000-90825e6bac8b121f346eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zg0-2900000000-9ced6b2b253471425de0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00xs-5913000000-05fdd28b28d4365d3f85Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-106s-5922000000-36d450a0ce5422cc73d6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pbc-5900000000-8eaf432e968b85e4cb9aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fb9-0926000000-779dfd0f2b063ec5e6c4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0901000000-0d030c844b5ab6d9d46dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-2900000000-7c25463514f877a34043Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0359000000-0a84f61843d1db09c776Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-2920000000-8736ab32172119625d46Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0k9x-5900000000-21c409fb0971f216644dNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
3078.0 Log mg/kg [1700:5500]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityValaciclovir is phosphorylated by viral thymidine kinase to acyclovir triphosphate (the active metabolite) which then inhibits herpes viral DNA replication by competitive inhibition of viral DNA polymerase, and by incorporation into and termination of the growing viral DNA chain. When used as a substrate for viral DNA polymerase, acyclovir triphosphate competitively inhibits dATP leading to the formation of 'faulty' DNA. This is where acyclovir triphosphate is incorporated into the DNA strand replacing many of the adenosine bases. This results in the prevention of DNA synthesis, as phosphodiester bridges can longer to be built, destabilizing the strand.
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsAdverse effects of overexposure might include headache and nausea.
TreatmentIn the event of acute renal failure and anuria, the patient may benefit from hemodialysis until renal function is restored. (4)
Health Effects
Health EffectRelationshipDirectionDescriptionReference
viral infectious diseaseNot AvailableNot AvailableNot AvailablePMC8197201
infectious diseaseNot AvailableNot AvailableNot AvailablePMC6222691 , PMC11283434
herpes simplex virus keratitisHas Therapeutic Effect OnNot AvailableNot AvailablePMC12195844
genital herpesNot AvailableNot AvailableNot AvailablePMC13215639
SimplexvirusNot AvailableNot AvailableNot AvailablePMC6437009
herpes zosterNot AvailableNot AvailableNot AvailablePMC9387011
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000351Antivirals?Antivirals are synthetic chemicals designed to inhibit the replication of viruses and are widely used in the treatment of viral infections in humans and animals.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000527Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Xanthine-guanine phosphoribosyltransferase structureClick to view 3D structureXanthine-guanine phosphoribosyltransferaseP0A9M5Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.308
Statistical Significance
2.20e-04
Supporting Reference Compounds
2
E-value
1.71268
Hypoxanthine-guanine-xanthine phosphoribosyltransferase structureClick to view 3D structureHypoxanthine-guanine-xanthine phosphoribosyltransferaseP20035Plasmodium falciparum (isolate FCR-3 / Gambia)Predicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.264 Low confidence
Statistical Significance
6.40e-04
Supporting Reference Compounds
1
E-value
4.98235
Alpha-1-antichymotrypsin structureClick to view 3D structureAlpha-1-antichymotrypsinP01011HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.264 Low confidence
Statistical Significance
4.80e-04
Supporting Reference Compounds
1
E-value
3.73676
Click to view 3D structureSerine/threonine protein kinase UL97P16788HHV-5Predicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.26 Low confidence
Statistical Significance
4.50e-04
Supporting Reference Compounds
1
E-value
3.50322
Hypoxanthine-guanine phosphoribosyltransferase structureClick to view 3D structureHypoxanthine-guanine phosphoribosyltransferaseP00492HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.292 Low confidence
Statistical Significance
4.30e-04
Supporting Reference Compounds
7
E-value
3.34752
Hypoxanthine-guanine phosphoribosyltransferase structureClick to view 3D structureHypoxanthine-guanine phosphoribosyltransferaseP9WHQ9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.264 Low confidence
Statistical Significance
7.80e-04
Supporting Reference Compounds
3
E-value
6.07224
Cyclic di-GMP phosphodiesterase RocR structureClick to view 3D structureCyclic di-GMP phosphodiesterase RocRQ9HX69Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.244 Low confidence
Statistical Significance
0.002
Supporting Reference Compounds
2
E-value
15.6477
Queuine tRNA-ribosyltransferase catalytic subunit 1 structureClick to view 3D structureQueuine tRNA-ribosyltransferase catalytic subunit 1Q9BXR0HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.241 Low confidence
Statistical Significance
0.0025
Supporting Reference Compounds
1
E-value
19.1509
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.246 Low confidence
Statistical Significance
0.2027
Supporting Reference Compounds
303
E-value
1578.08
Purine nucleoside phosphorylase structureClick to view 3D structurePurine nucleoside phosphorylaseP00491HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.236 Low confidence
Statistical Significance
0.0018
Supporting Reference Compounds
19
E-value
14.3243
Click to view 3D structureHistidine decarboxylaseP16453Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.227 Low confidence
Statistical Significance
0.0039
Supporting Reference Compounds
1
E-value
30.439
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.241 Low confidence
Statistical Significance
0.1287
Supporting Reference Compounds
174
E-value
1002.15
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.241 Low confidence
Statistical Significance
0.1399
Supporting Reference Compounds
221
E-value
1089.5
Click to view 3D structureUridine phosphorylase 1P52624Mus musculusPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.225 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
2
E-value
16.0369
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.241 Low confidence
Statistical Significance
0.1988
Supporting Reference Compounds
187
E-value
1548.03
Trifunctional purine biosynthetic protein adenosine-3 structureClick to view 3D structureTrifunctional purine biosynthetic protein adenosine-3P22102HumansPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.239 Low confidence
Statistical Significance
0.0103
Supporting Reference Compounds
21
E-value
80.3404
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.228 Low confidence
Statistical Significance
0.3012
Supporting Reference Compounds
302
E-value
2344.66
DNA polymerase subunit gamma-1 structureClick to view 3D structureDNA polymerase subunit gamma-1P54098HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.406
Statistical Significance
0.0014
Supporting Reference Compounds
8
E-value
11.2881
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.228 Low confidence
Statistical Significance
0.3737
Supporting Reference Compounds
391
E-value
2908.99
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.231 Low confidence
Statistical Significance
0.0276
Supporting Reference Compounds
37
E-value
214.864
Click to view 3D structureAdenosine receptor A1P28190Bos taurusPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.228 Low confidence
Statistical Significance
0.0719
Supporting Reference Compounds
72
E-value
559.969
Bifunctional purine biosynthesis protein ATIC structureClick to view 3D structureBifunctional purine biosynthesis protein ATICP31939HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.239 Low confidence
Statistical Significance
0.01
Supporting Reference Compounds
13
E-value
78.0049
Dihydrofolate synthase/folylpolyglutamate synthase structureClick to view 3D structureDihydrofolate synthase/folylpolyglutamate synthaseP08192Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.213 Low confidence
Statistical Significance
0.0045
Supporting Reference Compounds
1
E-value
35.3435
Xanthine dehydrogenase structureClick to view 3D structureXanthine dehydrogenaseO54050Rhodobacter capsulatusPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.212 Low confidence
Statistical Significance
5.10e-04
Supporting Reference Compounds
1
E-value
3.97031
Click to view 3D structureAdenosine receptor A3P28647Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0744
Supporting Reference Compounds
71
E-value
579.432
Click to view 3D structureSodium- and chloride-dependent neutral and basic amino acid transporter B(0+)Q9UN76HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB00577
HMDB IDHMDB0014716
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkValacyclovir
Chemspider ID54770
ChEBI ID35854
PubChem Compound ID60773
Kegg Compound IDC07184
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis Reference

Marina Etinger, “Synthesis and purification of valacyclovir.” U.S. Patent US20030153757, issued August 14, 2003.

MSDSLink
General References
  1. O'Brien JJ, Campoli-Richards DM: Acyclovir. An updated review of its antiviral activity, pharmacokinetic properties and therapeutic efficacy. Drugs. 1989 Mar;37(3):233-309. [PubMed: 2653790]
  2. Umapathy NS, Ganapathy V, Ganapathy ME: Transport of amino acid esters and the amino-acid-based prodrug valganciclovir by the amino acid transporter ATB(0,+). Pharm Res. 2004 Jul;21(7):1303-10. [PubMed: 15290873]
  3. Drugs.com - http://www.drugs.com/cons/Valacyclovir.html
  4. RxList: The Internet Drug Index (2009). - http://www.rxlist.com/
  5. RxList: The Internet Drug Index (2009). - http://www.rxlist.com/valtrex-drug.htm