Clofibric acid (CED0006948)

Record Information
Version1.0
Creation Date2016-05-22 04:28:04 UTC
Update Date2026-08-17 22:09:32 UTC
SynCED IDCED0006948
Secondary Accession Numbers
  • CHEM017567
Identification
Common NameClofibric acid
ClassSmall Molecule
Description
Clofibric acid is an organic compound with the formula C10H11ClO3 and an average molecular weight of 214.65 g/mol. Clofibric acid belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Biologically, the compound serves as a drug (PMC10000190 ), a metabolite (PMC6843951 ), and an endocrine disruptor (PMC10000190 ). It has been recorded as being released from nine different sources. These include electrical and electronic equipment such as electrodes, radio transmission systems, antennas, hybrid capacitors, and electrically stimulated smoking devices. It is also found in household cleaning and consumer products, specifically soap detergents and cigar cigarettes, as well as in food preservation and drinking water and water supply. The recorded route of exposure for this compound is oral.
Contaminant Type
  • Human Neurotoxin
Chemical Structure
SynonymsNot Available
Chemical FormulaC10H11ClO3
Average Molecular Mass214.650 g/mol
Monoisotopic Mass214.040 g/mol
CAS Registry Number882-09-7
IUPAC Name2-(4-chlorophenoxy)-2-methylpropanoic acid
Traditional Namefibrates
SMILESCC(C)(OC1=CC=C(Cl)C=C1)C(O)=O
InChI IdentifierInChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
InChI KeyTXCGAZHTZHNUAI-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
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 Solubility0.24 g/LALOGPS
logP2.81ALOGPS
logP2.9ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)3.37ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area46.53 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity52.62 m³·mol⁻¹ChemAxon
Polarizability20.83 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 Spectrumsplash10-004i-4900000000-ca0ad58e45a03f38e344Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot 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 Spectrumsplash10-004i-0900000000-64cdc882d304428f7aa2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-0473df1fd3b13a8554c4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-056r-9200000000-7a4ad7d318b868cdc2dfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-3900000000-05ce9d11830a6996df67Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-7f8eb7254e9cf233d746Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-065290db736d2ce28c28Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-4900000000-a3ac4a86dfa070034e4bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-c710024b91a14fb59d4aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-adb6c640374ceee3440aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-3b8a5795534ff7da3bc3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1940000000-f50883784337ad98e60eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0kbb-9200000000-1b44ea67d141dd947272Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-2900000000-58d9ba991a95a40ddbbaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-a9b41b8b454a2ba4899cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-acf3331c8e028a974bb1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-06365d2b91dae3621c53Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-62f4e1968cb42a116629Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1940000000-5f5e337bbb2d7e8c4f00Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-4900000000-a8f8a6822c77b6b7b09fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-6b0fdf4d246bdf00bdb8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-bbee625a2449684059edNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1900000000-85b8cba9cb35432bf2fdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1900000000-378bacbed78f00cbc4b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-2900000000-308e3144b1be4d33d976Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a6r-9800000000-0ee131f012cbe670730fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0kbb-9300000000-b6915bf4d3c3ade22796Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-2900000000-8f1b9367914f7eea5064Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-1390000000-61d5ea751a44319aed1eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00or-1910000000-08076887d2317f93fba6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-8900000000-12f09e586d2b94289675Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0290000000-e0c9670d14508ef98054Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01t9-0940000000-191878b49349755ae234Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-2900000000-5553fd61525ebc25a6fdNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0490000000-64088f943d36ecf98777Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00mo-7910000000-d0d109c8a50110becf01Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a6r-9410000000-9f6a553bd4082ae4fd40Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-340c4b0460e614dc8bd2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0900000000-e06d74ceba5091776e59Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0059-9700000000-e8afb40ed50301b1b44dNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1036.0 Log mg/kg [580:1800]RatLD50oralpredictedNot AvailableNot Available
1500.0 ppm MouseLOELoralexperimentalNot AvailableECOTOX - EPA ORD
1500.0 ppm MouseNOELoralexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
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 managementPMC8717453
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC7024250 , PMC10000190
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC6680746
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC10000190 , PMC9646821
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
CEDs000476Biosolids?Biosolids are nutrient-rich organic materials derived from the treatment of sewage sludge during wastewater management processes.Wastewater, sanitation & biosolidsPMC6843951
CEDs000484Activated sludge?Activated sludge refers to a mixture of microorganisms and organic matter used in the biological treatment of wastewater.Wastewater, sanitation & biosolidsPMC10492480
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
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 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
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.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
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
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
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
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
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.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
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
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
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
CEDs000699Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.Mining & metal 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
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
CEDs01144FoodFood, food processing & cookwarePMC10000190
CEDs02255WaterAquatic systems & sedimentsPMC7916394 , PMC10209495
CEDs02265River WaterAquatic systems & sedimentsPMC6843951
CEDs02268Water SamplesAquatic systems & sedimentsPMC5556110 , PMC5551177
CEDs02270RiverAquatic systems & sedimentsPMC7024250
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC10000190 , PMC5551177
CEDs02286LakeAquatic systems & sedimentsPMC11786762 , PMC11786762
CEDs02298Aquatic EcosystemAquatic systems & sedimentsPMC10107316
CEDs02392Natural Water BodiesAquatic systems & sedimentsPMC5551177
CEDs02847Personal Care ProductsPersonal care & cosmeticsPMC10297473
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC11958392 , PMC7916394
CEDs03013EffluentsWastewater, sanitation & biosolidsPMC6513794 , PMC13211670
CEDs03014SewageWastewater, sanitation & biosolidsPMC9385088
CEDs03042Secondary Wastewater EffluentWastewater, sanitation & biosolidsPMC6680746
CEDs03095Effluents of Wastewater Treatment PlantsWastewater, sanitation & biosolidsPMC7663376
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Stearoyl-CoA desaturase structureClick to view 3D structureStearoyl-CoA desaturaseO00767HumansKnownNot Available
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.533
Applicability Domain
0.833
Statistical Significance
6.50e-04
Supporting Reference Compounds
127
E-value
5.0602
Fatty acid-binding protein, liver structureClick to view 3D structureFatty acid-binding protein, liverP02692Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.49
Applicability Domain
0.833
Statistical Significance
1.00e-05
Supporting Reference Compounds
13
E-value
0.0778492
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.475
Applicability Domain
0.833
Statistical Significance
0.0011
Supporting Reference Compounds
192
E-value
8.95266
Click to view 3D structurePeroxisome proliferator-activated receptor alphaP23204Mus musculusPredicted (SEA)
Prediction Confidence Score
0.454
Applicability Domain
1.0
Statistical Significance
8.00e-05
Supporting Reference Compounds
38
E-value
0.622794
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.405
Applicability Domain
0.833
Statistical Significance
0.0018
Supporting Reference Compounds
89
E-value
14.0907
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.581
Statistical Significance
0.0394
Supporting Reference Compounds
1538
E-value
307.115
Click to view 3D structurePeroxisome proliferator-activated receptor alphaP37230Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.568
Statistical Significance
2.60e-04
Supporting Reference Compounds
16
E-value
2.02408
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.581
Statistical Significance
0.0633
Supporting Reference Compounds
1245
E-value
492.941
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.538
Statistical Significance
0.0207
Supporting Reference Compounds
506
E-value
161.07
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.581
Statistical Significance
0.0542
Supporting Reference Compounds
1130
E-value
421.631
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.538
Statistical Significance
0.0519
Supporting Reference Compounds
955
E-value
404.427
Mitogen-activated protein kinase kinase kinase kinase 4 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase kinase 4O95819HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.581
Statistical Significance
0.0603
Supporting Reference Compounds
714
E-value
469.664
Click to view 3D structureMisshapen-like kinase 1Q8N4C8HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.581
Statistical Significance
0.0471
Supporting Reference Compounds
524
E-value
366.903
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.581
Statistical Significance
0.0514
Supporting Reference Compounds
793
E-value
399.989
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.538
Statistical Significance
0.0519
Supporting Reference Compounds
823
E-value
403.804
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.31
Statistical Significance
0.0021
Supporting Reference Compounds
1
E-value
16.3483
Cytochrome P450 2C8 structureClick to view 3D structureCytochrome P450 2C8P10632HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.581
Statistical Significance
0.0177
Supporting Reference Compounds
305
E-value
138.182
Superoxide dismutase structureClick to view 3D structureSuperoxide dismutaseQ4DCQ3Trypanosoma cruzi (strain CL Brener)Predicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0043
Supporting Reference Compounds
1
E-value
33.7866
Fatty acid-binding protein, intestinal structureClick to view 3D structureFatty acid-binding protein, intestinalP12104HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.833
Statistical Significance
1.00e-05
Supporting Reference Compounds
5
E-value
0.0778492
Click to view 3D structureCytochrome P450 14alpha-demethylaseA1XG20Penicillium digitatumPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.422
Statistical Significance
6.00e-05
Supporting Reference Compounds
3
E-value
0.467095
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.323
Statistical Significance
0.0236
Supporting Reference Compounds
200
E-value
183.568
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.435
Statistical Significance
0.1134
Supporting Reference Compounds
763
E-value
882.499
Superoxide dismutase [Cu-Zn] structureClick to view 3D structureSuperoxide dismutase [Cu-Zn]P00441HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
4.40e-04
Supporting Reference Compounds
1
E-value
3.42537
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.538
Statistical Significance
0.0264
Supporting Reference Compounds
126
E-value
205.678
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.538
Statistical Significance
0.0413
Supporting Reference Compounds
391
E-value
321.673
Concentrations
StatusValueUnitSample LocationReference
Detected and Quantified1500ng/LBioggio,Lugano
Detected and Quantified35ng/LUetendorf,Thun
Detected and Quantified12ng/LVernier,Aïre
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available