Oseltamivir (CED0002204)

Record Information
Version1.0
Creation Date2016-05-25 03:28:01 UTC
Update Date2026-08-19 17:36:35 UTC
SynCED IDCED0002204
Secondary Accession Numbers
  • CHEM021373
Identification
Common NameOseltamivir
ClassSmall Molecule
Description
Oseltamivir is an organic compound with the chemical formula C16H28N2O4 and an average molecular weight of 312.40 g/mol. Oseltamivir belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is recorded as being found in or released from six distinct sources. These include healthcare, pharmaceuticals, and veterinary products in the form of antivirals, as well as household cleaning and consumer products such as other smoking requisites and non-electric simulated smoking devices. Additionally, it is associated with electrical and electronic equipment, specifically video games, television systems, and radio transmission systems. The recorded route of exposure for this substance is oral. At the molecular level, oseltamivir acts on three recorded protein targets. It functions as an inhibitor of neuraminidase (NA), sialidase-1 (NEU1), and sialidase-2 (NEU2).
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
(-)-OseltamivirChEBI
AgucortChEBI
Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylateChEBI
GS-4104ChEBI
HSDB 7433ChEBI
OseltamivirumChEBI
TamifluChEBI
Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acidGenerator
Oseltamivir phosphateHMDB
Chemical FormulaC16H28N2O4
Average Molecular Mass312.405 g/mol
Monoisotopic Mass312.205 g/mol
CAS Registry Number196618-13-0
IUPAC Nameethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
Traditional Nameoseltamivir
SMILESCCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
InChI IdentifierInChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
InChI KeyVSZGPKBBMSAYNT-RRFJBIMHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGamma amino acids and derivatives
Alternative Parents
Substituents
  • Gamma amino acid or derivatives
  • Enoate ester
  • Acetamide
  • Alpha,beta-unsaturated carboxylic ester
  • Carboxamide group
  • Carboxylic acid ester
  • Secondary carboxylic acid amide
  • Dialkyl ether
  • Ether
  • Monocarboxylic acid or derivatives
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Primary aliphatic amine
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Primary amine
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic 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 Solubility0.69 g/LALOGPS
logP1.3ALOGPS
logP1.16ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)14.03ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area90.65 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity84.2 m³·mol⁻¹ChemAxon
Polarizability34.65 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-05bo-9280000000-03554fbfb24a606e4a9aNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01t9-0193000000-f5d60d35ef59bb0d3d88Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0930000000-4bafe71e1cfce532c69eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-b47b81a2da926f1b38a0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01bi-0900000000-e54a66b05b36ac125c76Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-a088a5ae7a49e423f645Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-a4689c9d2708c9864683Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-07fr-0393000000-c4ca6313b8a95857501fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0920000000-274bd00e87c126ea0431Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-1900000000-ab2b530339386266bb5eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00y3-3900000000-503de5f1484e1733b933Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-6900000000-c732121f239f135b134cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9600000000-414288f436e77a96401fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-07fr-0393000000-782bc585f56c5193cc4eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0920000000-2a6c0c1f08190d6bbc0fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-1900000000-3ea178c0a288c37e3e79Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00y3-3900000000-0c790adae380f41f557aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-6900000000-793d9a5e1ce9de381e4fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9600000000-ebf8dd7bcfb3a4844078Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-f5e9b54d2909b3aff88dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0690-0890000000-01c66fcaa8da4e75ec27Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-0198000000-2773c5bc7f4f4826038eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-d20f8add76fa413d5cabNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-80e3c7a12845be3be492Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-564ab64f25b51f76645dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-aeb9618668bf602725bbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ar0-0590000000-c2f0132fcf73de7ffa20Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9800000000-162cdf58f020fede23d6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0690-0690000000-0167edf15f129843674aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-8900000000-d4ffa70c511204821b6bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01t9-0193000000-684689f5bc0a736ad780Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0930000000-d2921e3cdb08bd0d0dc5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-61481c403b57b0718613Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-07fr-0393000000-c9edfe0c46c9c0258627Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9600000000-414288f436e77a96401fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-07fr-0393000000-72cccb6d172c2bee43b5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-1f591430e3fc4135c634Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01bi-0900000000-e54a66b05b36ac125c76Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9600000000-b62865d41283264cd37eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0090000000-df184b627acc502356c8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-a088a5ae7a49e423f645Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-1900000000-4df90e00670f4030444dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-1900000000-98819a7b62fc9df4241eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0920000000-63682ee45dec07d8fc7bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0920000000-d6c05fcb064e823de975Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00y3-3900000000-1a2279d7c64245f58146Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00y3-3900000000-a78c6432e01114d58aa0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-6900000000-c732121f239f135b134cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-7900000000-8bce36f48928f2023b23Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01bi-0900000000-889270f94fb6930a138aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0930000000-05b4a2bc898c29d25525Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01bi-0900000000-d0833369fe0523d6f0ddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-12fc5ed4bf9d44fb40a4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-0c07773516ac279f6ad6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01t9-0193000000-c2e9e3220d6e4f2f9889Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00or-0791000000-52e91d2add33df3a8e1eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-d6d12e12a3106cc320c3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-016u-2920000000-370f6c7c3b93a7407fceNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0596-7920000000-98bb4df44339d107708eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-044j-1092000000-a5c51c03276e29381b54Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gi0-1290000000-855d80ff3dbaf863b55bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9720000000-3020e017c27cf5688ae5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-2089000000-aca6af58f0479c615bbcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-02t9-2091000000-dafdec8458549b80e2b6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ap1-9830000000-e6541c125795bb30888fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0019000000-a42be73618a814473572Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01rt-0972000000-d179582504966b6e9ffcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-02aj-1910000000-2a32ba05c0e12965c816Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0009000000-64b537e79ea35071fd1aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03xr-2496000000-837f325f0a975352adabNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05mt-3920000000-2dcb8a975513b30b6b7eNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2511.0 Log mg/kg [1400:4500]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
viral pneumonia?is_treatment_forNot AvailablePMC6259602
avian influenza?is_treatment_forNot AvailablePMC9099681
Exposure Sources
Source IDSourceSectorReference
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 infrastructureNot 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
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
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
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
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
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 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
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
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
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
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 & 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
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.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
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.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
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.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
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
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Neuraminidase structureClick to view 3D structureNeuraminidaseP03468Influenza A virus (A/Puerto Rico/8/1934(H1N1))Predicted (SEA)
Prediction Confidence Score
0.78
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
34
E-value
0.0778492
Click to view 3D structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.724
Applicability Domain
1.0
Statistical Significance
5.00e-05
Supporting Reference Compounds
42
E-value
0.389246
Click to view 3D structureNeuraminidaseP03469Influenza A virus (strain A/USSR/90/1977 H1N1)Predicted (SEA)
Prediction Confidence Score
0.7
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
13
E-value
0.233548
Click to view 3D structureNeuraminidaseA5Z252Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.692
Applicability Domain
1.0
Statistical Significance
1.10e-04
Supporting Reference Compounds
18
E-value
0.856341
Neuraminidase structureClick to view 3D structureNeuraminidaseP03474Influenza B virus (strain B/Lee/1940)Predicted (SEA)
Prediction Confidence Score
0.671
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
13
E-value
0.0778492
Click to view 3D structureNeuraminidaseQ2LFS1Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.661
Applicability Domain
1.0
Statistical Significance
1.10e-04
Supporting Reference Compounds
10
E-value
0.856341
Click to view 3D structureNeuraminidaseC4LRQ6Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.659
Applicability Domain
1.0
Statistical Significance
4.00e-05
Supporting Reference Compounds
9
E-value
0.311397
Neuraminidase structureClick to view 3D structureNeuraminidaseP06820Influenza A virus (strain A/Tokyo/3/1967 H2N2)Predicted (SEA)
Prediction Confidence Score
0.658
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Click to view 3D structureNeuraminidaseQ75VQ4Influenza A virus (A/Aichi/2/1968(H3N2))Predicted (SEA)
Prediction Confidence Score
0.629
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Click to view 3D structureNeuraminidaseQ6Q793Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.627
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
4
E-value
0.0778492
Click to view 3D structureSialidaseP10481Clostridium perfringensPredicted (SEA)
Prediction Confidence Score
0.602
Applicability Domain
0.766
Statistical Significance
6.00e-05
Supporting Reference Compounds
22
E-value
0.467095
Click to view 3D structureNeuraminidaseP03470Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1))Predicted (SEA)
Prediction Confidence Score
0.558
Applicability Domain
0.766
Statistical Significance
8.00e-05
Supporting Reference Compounds
10
E-value
0.622794
Click to view 3D structureNeuraminidaseP03471Influenza A virus (A/Memphis/1/1971(H3N2))Predicted (SEA)
Prediction Confidence Score
0.534
Applicability Domain
0.766
Statistical Significance
2.40e-04
Supporting Reference Compounds
13
E-value
1.86838
Neuraminidase structureClick to view 3D structureNeuraminidaseQ07599Influenza A virus (strain A/Duck/Ukraine/1/1963 H3N8)Predicted (SEA)
Prediction Confidence Score
0.525
Applicability Domain
0.766
Statistical Significance
2.70e-04
Supporting Reference Compounds
7
E-value
2.10193
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.511
Applicability Domain
0.766
Statistical Significance
4.80e-04
Supporting Reference Compounds
96
E-value
3.73676
Click to view 3D structureNeuraminidaseQ6XV28Influenza A virus (strain A/Budgerigar/Hokkaido/1/1977 H4N6)Predicted (SEA)
Prediction Confidence Score
0.481
Applicability Domain
0.766
Statistical Significance
2.30e-04
Supporting Reference Compounds
5
E-value
1.79053
Click to view 3D structureNeuraminidaseP0DOF9Influenza A virus (strain A/Udorn/307/1972 H3N2)Predicted (SEA)
Prediction Confidence Score
0.378
Applicability Domain
0.766
Statistical Significance
4.00e-05
Supporting Reference Compounds
5
E-value
0.311397
Neuraminidase structureClick to view 3D structureNeuraminidaseQ194T1Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.915
Statistical Significance
5.00e-05
Supporting Reference Compounds
5
E-value
0.389246
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.274 Low confidence
Statistical Significance
0.0923
Supporting Reference Compounds
425
E-value
718.86
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.274 Low confidence
Statistical Significance
0.0915
Supporting Reference Compounds
226
E-value
712.476
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.274 Low confidence
Statistical Significance
0.0916
Supporting Reference Compounds
227
E-value
712.865
Click to view 3D structurePeptidyl-glycine alpha-amidating monooxygenaseP19021HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.246 Low confidence
Statistical Significance
0.0199
Supporting Reference Compounds
1
E-value
155.154
Click to view 3D structureSialidase-3Q9UQ49HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.258 Low confidence
Statistical Significance
4.40e-04
Supporting Reference Compounds
8
E-value
3.42537
Asialoglycoprotein receptor 1 structureClick to view 3D structureAsialoglycoprotein receptor 1P07306HumansPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.238 Low confidence
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.254 Low confidence
Statistical Significance
0.7041
Supporting Reference Compounds
1498
E-value
5481.68
Concentrations
StatusValueUnitSample LocationReference
Not Detected
External Links
DrugBank IDDB00198
HMDB IDHMDB0014343
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkOseltamivir
Chemspider ID58540
ChEBI ID7798
PubChem Compound ID65028
Kegg Compound IDC08092
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available