Ganciclovir (CED0002150)

Record Information
Version1.0
Creation Date2016-05-22 04:30:15 UTC
Update Date2026-08-25 11:44:28 UTC
SynCED IDCED0002150
Secondary Accession Numbers
  • CHEM017630
Identification
Common NameGanciclovir
ClassSmall Molecule
Description
Ganciclovir is an organic compound with the formula C9H13N5O4 and an average molecular weight of 255.23 g/mol. Ganciclovir belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This substance is identified as an organoheterocyclic compound. The compound is found in or released from five recorded sources, including antennas in electrical and electronic equipment, drinking water in drinking water and water supply, and antivirals, antiinfectives, and antibiotics within healthcare, pharmaceuticals, and veterinary products. Recorded exposure routes for ganciclovir include oral, ophthalmic, intravitreal, intraventricular, intravenous, and inhalation. Regarding its biological activity, two protein targets are recorded: thymidine kinase (TK) and the DNA polymerase catalytic subunit, for which ganciclovir acts as an inhibitor or substrate.
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
2-(6-Amino-purin-9-ylmethoxy)-propane-1,3-diolChEBI
2-Amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-1H-purin-6(9H)-oneChEBI
2-Amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-3H-purin-6(9H)-oneChEBI
2-Amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-9H-purin-6-olChEBI
2-Amino-9-(2-hydroxy-1-hydroxymethyl-ethoxymethyl)-1,9-dihydro-purin-6-oneChEBI
2-Amino-9-(2-hydroxy-1-hydroxymethylethoxymethyl)-6,9-dihydro-1H-6-purinoneChEBI
9-((2-Hydroxy-1-(hydroxymethyl)ethoxy)methyl)guanineChEBI
9-(1,3-DIHYDROXY-propoxymethane)guanineChEBI
9-[(1,3-Dihydroxy-2-propoxy)methyl]guanineChEBI
GA2ChEBI
GanciclovirumChEBI
GancyclovirChEBI
CytoveneKegg
VitrasertKegg
ZirganKegg
Ganciclovir sodiumHMDB
BIOLF-62HMDB
Ganciclovir, monosodium saltHMDB
Chemical FormulaC9H13N5O4
Average Molecular Mass255.231 g/mol
Monoisotopic Mass255.097 g/mol
CAS Registry Number82410-32-0
IUPAC Name2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6,9-dihydro-1H-purin-6-one
Traditional Namegancyclovir
SMILESNC1=NC2=C(N=CN2COC(CO)CO)C(=O)N1
InChI IdentifierInChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
InChI KeyIRSCQMHQWWYFCW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hypoxanthines. Hypoxanthines are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyrimidines
Sub ClassPurines and purine derivatives
Direct ParentHypoxanthines
Alternative Parents
Substituents
  • 6-oxopurine
  • Hypoxanthine
  • Aminopyrimidine
  • Pyrimidone
  • Glycerolipid
  • N-substituted imidazole
  • Pyrimidine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Vinylogous amide
  • Azacycle
  • Primary amine
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Alcohol
  • Organopnictogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Amine
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility11.5 g/LALOGPS
logP-1.8ALOGPS
logP-2.2ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)10.16ChemAxon
pKa (Strongest Basic)1.76ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area134.99 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity61.03 m³·mol⁻¹ChemAxon
Polarizability24.15 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 Spectrumsplash10-003r-9650000000-8833f26b2a4a485cc527Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0uea-4944000000-abdc13da6e0d228949c8Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0090000000-b4bf1558f31e6cd80503Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-1090000000-80a7b4d22e1375eb8a4dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9610000000-c3053bd735d9f92930bfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-007a-9300000000-392c976e03c2a82984ccNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-168468ed262e2df62267Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4r-0490000000-0a16ac79577fd707fd15Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0920000000-16d50b83e7be32f4db70Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-1900000000-2eca31ed3c60988970dcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udu-2900000000-fd85740333fbb29714c8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01pc-3900000000-81b422bf6764161bcb0fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-618946bbba03bdf5db19Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0930000000-70cd640f0189ec01f99eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-fc49c7f073ae10ab487cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udr-0900000000-d80c22cdcb2574987d4fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-1590000000-0f6062547f6f0b5361fcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-1950000000-44b53e03563a8182d288Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pbc-4900000000-7a563bb9b702e9ef5287Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0930000000-8591208e148c4533f09fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-f2cc24b91d79a58f5388Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-1900000000-ca0f90024b546ecff4a6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-1290000000-33f6d44fd5c47d6bd926Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-5e48c6b7e667862711a5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-053u-5900000000-168c679102de3c71bc14Not AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
8749.0 Log mg/kg [4900:16000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
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 & cosmeticsNot Available
CEDs000306Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.Healthcare, pharmaceuticals & veterinary productsNot Available
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
CEDs000395Antiinfectives?Anti-infectives are a class of synthetic chemicals designed to combat infections caused by bacteria, viruses, fungi, and parasites.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 EquipmentNot Available
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentNot Available
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 EquipmentNot Available
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentNot Available
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentNot Available
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 EquipmentNot Available
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 EquipmentNot Available
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentNot Available
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 EquipmentNot Available
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentNot Available
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 & cookwareNot Available
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwareNot Available
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 productsNot Available
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 productsNot Available
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 productsNot Available
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 productsNot Available
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 processingNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementNot Available
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsNot Available
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 & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
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 & cosmeticsNot Available
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 & cosmeticsNot Available
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 & cosmeticsNot Available
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 & cosmeticsNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
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 & furnishingsNot Available
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 & furnishingsNot Available
CEDs000652Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.Textiles, leather & furnishingsNot Available
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsNot Available
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsNot Available
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 & AerospaceNot Available
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospaceNot Available
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementNot Available
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementNot Available
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionNot Available
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionNot Available
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionNot Available
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 processingNot Available
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
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 productsNot Available
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
4 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSerine/threonine protein kinase UL97P16788HHV-5Predicted (SEA)
Prediction Confidence Score
0.456
Applicability Domain
0.456
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Xanthine-guanine phosphoribosyltransferase structureClick to view 3D structureXanthine-guanine phosphoribosyltransferaseP0A9M5Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
0.453
Statistical Significance
8.00e-05
Supporting Reference Compounds
2
E-value
0.622794
Hypoxanthine-guanine phosphoribosyltransferase structureClick to view 3D structureHypoxanthine-guanine phosphoribosyltransferaseP9WHQ9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.406
Statistical Significance
8.00e-05
Supporting Reference Compounds
3
E-value
0.622794
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
0.365
Applicability Domain
0.368
Statistical Significance
5.90e-04
Supporting Reference Compounds
2
E-value
4.5931
Hypoxanthine-guanine phosphoribosyltransferase structureClick to view 3D structureHypoxanthine-guanine phosphoribosyltransferaseP00492HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.5
Statistical Significance
1.20e-04
Supporting Reference Compounds
7
E-value
0.934191
Hypoxanthine-guanine-xanthine phosphoribosyltransferase structureClick to view 3D structureHypoxanthine-guanine-xanthine phosphoribosyltransferaseP20035Plasmodium falciparum (isolate FCR-3 / Gambia)Predicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.347
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
Xanthine dehydrogenase structureClick to view 3D structureXanthine dehydrogenaseO54050Rhodobacter capsulatusPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.315
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
Purine nucleoside phosphorylase structureClick to view 3D structurePurine nucleoside phosphorylaseP00491HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.303
Statistical Significance
5.30e-04
Supporting Reference Compounds
19
E-value
4.12601
Inosine-uridine preferring nucleoside hydrolase structureClick to view 3D structureInosine-uridine preferring nucleoside hydrolaseQ27546Crithidia fasciculataPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.274 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.9109
Click to view 3D structureInosine-adenosine-guanosine-nucleoside hydrolaseO15727Trypanosoma brucei bruceiPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.274 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.9109
Queuine tRNA-ribosyltransferase catalytic subunit 1 structureClick to view 3D structureQueuine tRNA-ribosyltransferase catalytic subunit 1Q9BXR0HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.271 Low confidence
Statistical Significance
5.20e-04
Supporting Reference Compounds
1
E-value
4.04816
DNA polymerase subunit gamma-1 structureClick to view 3D structureDNA polymerase subunit gamma-1P54098HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.544
Statistical Significance
7.60e-04
Supporting Reference Compounds
8
E-value
5.91654
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.327
Statistical Significance
0.1035
Supporting Reference Compounds
303
E-value
805.817
Stimulator of interferon genes protein structureClick to view 3D structureStimulator of interferon genes proteinQ86WV6HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.368
Statistical Significance
8.90e-04
Supporting Reference Compounds
8
E-value
6.92858
Click to view 3D structure2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinaseX5EH84Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.283 Low confidence
Statistical Significance
6.60e-04
Supporting Reference Compounds
5
E-value
5.13805
Adenosylhomocysteinase structureClick to view 3D structureAdenosylhomocysteinaseP23526HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.327
Statistical Significance
0.0065
Supporting Reference Compounds
19
E-value
50.4463
Purine nucleoside phosphorylase structureClick to view 3D structurePurine nucleoside phosphorylaseP55859Bos taurusPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.281 Low confidence
Statistical Significance
3.90e-04
Supporting Reference Compounds
8
E-value
3.03612
Alpha-1-antichymotrypsin structureClick to view 3D structureAlpha-1-antichymotrypsinP01011HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.233 Low confidence
Statistical Significance
0.0034
Supporting Reference Compounds
1
E-value
26.7801
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.254 Low confidence
Statistical Significance
0.1168
Supporting Reference Compounds
221
E-value
909.357
Purine nucleoside phosphorylase structureClick to view 3D structurePurine nucleoside phosphorylaseQ8I3X4Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.303
Statistical Significance
2.10e-04
Supporting Reference Compounds
4
E-value
1.63483
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.246 Low confidence
Statistical Significance
0.02
Supporting Reference Compounds
37
E-value
155.932
Click to view 3D structureUridine phosphorylase 1P52624Mus musculusPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.238 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
2
E-value
12.8451
Click to view 3D structureThymidine kinaseQ9QNF7HHV-1Predicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.371
Statistical Significance
0.0012
Supporting Reference Compounds
11
E-value
9.10836
Serine--tRNA ligase structureClick to view 3D structureSerine--tRNA ligaseP95689Staphylococcus aureus (strain NCTC 8325 / PS 47)Predicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.229 Low confidence
Statistical Significance
0.0063
Supporting Reference Compounds
2
E-value
48.9672
Trifunctional purine biosynthetic protein adenosine-3 structureClick to view 3D structureTrifunctional purine biosynthetic protein adenosine-3P22102HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0088
Supporting Reference Compounds
21
E-value
68.4295
Concentrations
Not Available
External Links
DrugBank IDDB01004
HMDB IDHMDB0015139
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkGanciclovir
Chemspider ID3336
ChEBI ID465284
PubChem Compound ID3454
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available