Metribuzin (CED0008285)

Record Information
Version1.0
Creation Date2013-04-25 07:56:53 UTC
Update Date2026-08-24 15:12:08 UTC
SynCED IDCED0008285
Secondary Accession Numbers
  • CHEM002843
  • T3D3882
Identification
Common NameMetribuzin
ClassSmall Molecule
Description
Metribuzin is an exogenous organic compound with the formula C8H14N4OS and an average molecular weight of 214.29 g/mol. It exists as a solid at room temperature. Metribuzin belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. In industrial applications, the compound serves as a herbicide, biocide, and degradant or impurity (PMC10698095 ). It has been identified in nine recorded sources, including drinking water, indoor air, and floors. Additionally, it is found in molasses and the treatment of molasses, cigar cigarettes, and electrical and electronic equipment such as power cables, fixed capacitors, electric switches, and electrically stimulated smoking devices. Recorded exposure routes for the compound include oral and inhalation. Metribuzin interacts with 11 recorded protein targets, which include the tumor necrosis factor receptor superfamily member 5 (CD40), C-C motif chemokine 2 (CCL2), C-X-C motif chemokine 10 (CXCL10), and collagen alpha-1(III) chain (COL3A1), among seven other proteins.
Contaminant Type
  • Ether
  • Herbicide
  • Organic Compound
  • Pesticide
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-oneChEBI
4-amino-6-Tert-butyl- 3-(methylthio)-S-triazin-5-(4H)-oneMeSH
LexoneMeSH
SencorMeSH
ZenkorMeSH
Chemical FormulaC8H14N4OS
Average Molecular Mass214.288 g/mol
Monoisotopic Mass214.089 g/mol
CAS Registry Number21087-64-9
IUPAC Name4-amino-6-tert-butyl-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one
Traditional Namesencor
SMILESCSC1=NN=C(C(=O)N1N)C(C)(C)C
InChI IdentifierInChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
InChI KeyFOXFZRUHNHCZPX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassThioethers
Sub ClassAryl thioethers
Direct ParentAryl thioethers
Alternative Parents
Substituents
  • Aryl thioether
  • Alkylarylthioether
  • Triazine
  • 1,2,4-triazine
  • Heteroaromatic compound
  • Lactam
  • Azacycle
  • Organoheterocyclic compound
  • Sulfenyl compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility1.36 g/LALOGPS
logP1.54ALOGPS
logP1.96ChemAxon
logS-2.2ALOGPS
pKa (Strongest Basic)2.46ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area71.05 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity58 m³·mol⁻¹ChemAxon
Polarizability22.08 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 Spectrumsplash10-0bta-8910000000-710f049556a8522ae817Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-c07c5cae60e1ac822ccbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-d52c6a7b999f55d0e51bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014r-0590000000-199702458074442acb73Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053r-0900000000-a45f75409c3af6a6054dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9200000000-3e63f9eec9dafaae1eebNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9200000000-7a6cdf083625b2ccdc22Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053i-9500000000-9d0d20117a9fb7fae1c7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-202a3c2453ce7f8e089dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ac0-9300000000-bc39f73488d0647f38c9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-3920000000-3bfff666c7c355ce48aeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05a9-9800000000-057a7c7692587183822aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014r-0690000000-d3c30e5bfb074e0a0f7aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-9398ba17da28f7fce470Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0290000000-e3451353e06b6560e3adNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-3920000000-a4f0e416c96410fa4f28Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05a9-9800000000-42e2260551d1947c3cf5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-20c9dc148a8a6b95bdd4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ac0-9300000000-ff095b41d66bc7c1c9b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0190000000-1195477d789b2632ac33Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kr-6950000000-dbed0de9e629b7cd46e3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-afb09b2ded319e3066d2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0019-0910000000-a707081dd6bcf1527744Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052f-0900000000-7d7d7e27304b45412132Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-6979ef86dd2fa383f4b1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-0d0b65b6e3f259cde1b7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-a4826bf62d0461d46b0eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0490000000-beae56a957b21474641aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053r-0900000000-15808d528ce0a2749c54Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053i-9500000000-19f1c250c56879decbc1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053r-0900000000-c1e95434585878cbd359Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-9000000000-65afb1065363b2d278adNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0019-0910000000-06a5255611eafc54ecebNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-e13f332ff80b44342453Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-3490000000-b250bde498ae6408d9f6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006t-9200000000-4c4a499d8d26c485b02fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0910000000-ba002331be1a9f61955aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-074i-8930000000-8b90e1b9375076b8f5e2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-024i-9400000000-e42aee5a1db9176ccd85Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-3b0e1cdb5358502672eeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-5960000000-1f5eeb9a2e3b725b20e1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9300000000-8b3eed4ff29be7f81ea5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0090000000-37d6f8fd289278f760f5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-02tc-2920000000-1108e1d17e11ee00d01aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0c0r-9600000000-f3feb2245fee3fd4700fNot AvailableView Spectrum
MSMS Spectrumsplash10-0002-9600000000-f01ca2de50860ccf843eNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
232.0 Log mg/kg [130:410]RatLD50oralpredictedNot AvailableNot Available
10.0 mg/L RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
10.0 mg/L RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
10.0 mg/L RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
10.0 mg/L RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
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
CEDs000013Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.Agriculture & land managementPMC9983365 , PMC9983365
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC9983365
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC9983365
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
CEDs000497Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.Building & ConstructionPubChem
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 EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.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
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 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
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.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
CEDs000546Molasses And Treatment Of Molasses?Molasses is a thick, viscous byproduct of sugar production, derived from the extraction of sugar cane or sugar beet juice.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
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
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.Agriculture & land managementPubChem
CEDs000598Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.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
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.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
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.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
CEDs000612Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.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
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 & 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
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
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 managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.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
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
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
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00753Agricultural SoilAgriculture & land managementPMC9983365 , PMC11511370
CEDs01180Edible PlantsFood, food processing & cookwarePMC12756542
CEDs02255WaterAquatic systems & sedimentsPMC13060624 , PMC10761135
CEDs02546CatchmentsAquatic systems & sedimentsPMC4663499
CEDs03071Effluent WastewaterWastewater, sanitation & biosolidsPMC10698095
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.2 Low confidence
Statistical Significance
0.8669
Supporting Reference Compounds
407
E-value
6749.14
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.208 Low confidence
Statistical Significance
0.7911
Supporting Reference Compounds
136
E-value
6158.89
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2Q05769Mus musculusPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.208 Low confidence
Statistical Significance
0.4255
Supporting Reference Compounds
43
E-value
3312.56
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9172
Supporting Reference Compounds
472
E-value
7140.64
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.185 Low confidence
Statistical Significance
0.9574
Supporting Reference Compounds
406
E-value
7453.36
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.208 Low confidence
Statistical Significance
0.8915
Supporting Reference Compounds
201
E-value
6940.41
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.208 Low confidence
Statistical Significance
0.6369
Supporting Reference Compounds
78
E-value
4958.06
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.208 Low confidence
Statistical Significance
0.7858
Supporting Reference Compounds
106
E-value
6117.16
Click to view 3D structureHormone-sensitive lipaseQ05469HumansPredicted (SEA)
Prediction Confidence Score
0.155
Applicability Domain
0.185 Low confidence
Statistical Significance
0.2943
Supporting Reference Compounds
10
E-value
2291.41
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.155
Applicability Domain
0.173 Low confidence
Statistical Significance
0.9763
Supporting Reference Compounds
742
E-value
7600.5
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)
Prediction Confidence Score
0.155
Applicability Domain
0.173 Low confidence
Statistical Significance
0.9816
Supporting Reference Compounds
779
E-value
7641.76
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.154
Applicability Domain
0.2 Low confidence
Statistical Significance
0.8816
Supporting Reference Compounds
193
E-value
6863.11
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.173 Low confidence
Statistical Significance
0.978
Supporting Reference Compounds
674
E-value
7614.04
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.191 Low confidence
Statistical Significance
0.991
Supporting Reference Compounds
823
E-value
7715.17
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.152
Applicability Domain
0.161 Low confidence
Statistical Significance
0.9374
Supporting Reference Compounds
226
E-value
7297.43
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.152
Applicability Domain
0.161 Low confidence
Statistical Significance
0.9377
Supporting Reference Compounds
227
E-value
7300.23
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.164 Low confidence
Statistical Significance
0.9531
Supporting Reference Compounds
296
E-value
7420.12
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.17 Low confidence
Statistical Significance
0.9921
Supporting Reference Compounds
1158
E-value
7723.11
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.161 Low confidence
Statistical Significance
0.9914
Supporting Reference Compounds
1157
E-value
7717.74
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.161 Low confidence
Statistical Significance
0.9855
Supporting Reference Compounds
754
E-value
7672.12
Eukaryotic elongation factor 2 kinase structureClick to view 3D structureEukaryotic elongation factor 2 kinaseO00418HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.17 Low confidence
Statistical Significance
0.9697
Supporting Reference Compounds
263
E-value
7549.35
Mitogen-activated protein kinase 8 structureClick to view 3D structureMitogen-activated protein kinase 8P45983HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.161 Low confidence
Statistical Significance
0.987
Supporting Reference Compounds
782
E-value
7684.11
Mitogen-activated protein kinase 9 structureClick to view 3D structureMitogen-activated protein kinase 9P45984HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.161 Low confidence
Statistical Significance
0.9852
Supporting Reference Compounds
758
E-value
7669.55
Mitogen-activated protein kinase 13 structureClick to view 3D structureMitogen-activated protein kinase 13O15264HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.161 Low confidence
Statistical Significance
0.9817
Supporting Reference Compounds
558
E-value
7642.85
Tegument protein VP16 structureClick to view 3D structureTegument protein VP16P06492Herpes simplex virus (type 1 / strain 17)Predicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.167 Low confidence
Statistical Significance
0.8921
Supporting Reference Compounds
75
E-value
6945.32
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansKnownNot Available
C-C motif chemokine 2 structureClick to view 3D structureC-C motif chemokine 2P13500HumansKnownNot Available
C-X-C motif chemokine 10 structureClick to view 3D structureC-X-C motif chemokine 10P02778HumansKnownNot Available
Collagen alpha-1(III) chain structureClick to view 3D structureCollagen alpha-1(III) chainP02461HumansKnownNot Available
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansKnownNot Available
Plasminogen activator inhibitor 1 structureClick to view 3D structurePlasminogen activator inhibitor 1P05121HumansKnownNot Available
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansKnownNot Available
Low-density lipoprotein receptor structureClick to view 3D structureLow-density lipoprotein receptorP01130HumansKnownNot Available
Tumor necrosis factor receptor superfamily member 5 structureClick to view 3D structureTumor necrosis factor receptor superfamily member 5P25942HumansKnownNot Available
Urokinase plasminogen activator surface receptor structureClick to view 3D structureUrokinase plasminogen activator surface receptorQ03405HumansKnownNot Available
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkMetribuzin
Chemspider IDNot Available
ChEBI ID34846
PubChem Compound ID30479
Kegg Compound IDC14332
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available