3,4,4'-Trichlorocarbanilide (CED0006641)

Record Information
Version1.0
Creation Date2016-05-19 02:56:08 UTC
Update Date2026-08-19 03:28:16 UTC
SynCED IDCED0006641
Secondary Accession Numbers
  • CHEM008985
Identification
Common Name3,4,4'-Trichlorocarbanilide
ClassSmall Molecule
Description
3,4,4'-Trichlorocarbanilide (C13H9Cl3N2O) is a compound with an average molecular weight of 315.58 g/mol. 3,4,4'-Trichlorocarbanilide belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It functions as an industrial biocide, preservative, and deodorizer, as well as an environmental contaminant (PMC4253867 ). Biologically, it acts as an endocrine disruptor (PMC9180842 ) and serves as an antibacterial agent (PMC13027295 ) and an antimicrobial agent used in both biological and industrial contexts (PMC7793542 , PMC8126057 ). Its recorded protein target is the Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (fabI), for which it acts as an antagonist. The compound is found in or released from 15 recorded sources, including agriculture and land management via pesticides, drinking water and water supply, and building and construction materials such as tents or canopies. It is present in food preservation and meat processing, as well as electrical and electronic equipment including electrodes, amplifiers, conductors or conductive bodies characterised by the conductive materials, and electrically stimulated smoking devices. Consumer products containing the compound include soap detergents, perfumes within detergents and soaps, bleaching agents, cigar cigarettes, and non electric simulated smoking devices. Exposure routes are recorded as oral and inhalation. Regarding health effects, 3,4,4'-Trichlorocarbanilide is associated with obesity (PMC8794682 ) and is found at increased levels in the urine of individuals with obesity (PMC8794682 ).
Contaminant Type
  • Pesticide
Chemical Structure
Synonyms
ValueSource
1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)ureaChEBI
3,4,4'-Trichloro carbanilideChEBI
3,4,4'-TrichlorocarbanilideChEBI
3,4,4'-TrichlorodiphenylureaChEBI
CutisanChEBI
N-(4-Chlorophenyl)-n'-(3,4-dichlorophenyl)ureaChEBI
NobacterChEBI
SolubacterChEBI
TCCChEBI
TriclocarbanumChEBI
TrichlorocarbanilideKegg
Septivon-lavrilHMDB
TrichlorcarbanHMDB
SeptivonHMDB
Chemical FormulaC13H9Cl3N2O
Average Molecular Mass315.580 g/mol
Monoisotopic Mass313.978 g/mol
CAS Registry Number101-20-2
IUPAC Name3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea
Traditional Nametriclocarban
SMILESClC1=CC=C(NC(=O)NC2=CC(Cl)=C(Cl)C=C2)C=C1
InChI IdentifierInChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
InChI KeyICUTUKXCWQYESQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassHalobenzenes
Direct ParentDichlorobenzenes
Alternative Parents
Substituents
  • 1,2-dichlorobenzene
  • Aryl chloride
  • Aryl halide
  • Isourea
  • Carboximidic acid derivative
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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 Effects
  • white to off-white colour ?
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.0029 g/LALOGPS
logP5.1ALOGPS
logP4.93ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)11.42ChemAxon
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area41.13 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity80.47 m³·mol⁻¹ChemAxon
Polarizability28.19 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-9bbaca4c62706668edcbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-9bbaca4c62706668edcbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-7b1368df2f08ebba94cbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-1e1a66cc3faa0105ec7fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-327a5c91ff007c309e4aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-1e1a66cc3faa0105ec7fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-68ed903c2c78b374365eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-fc03d43145b4d7923be8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-0900000000-b71026cd198f291dd119Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-9a158e4646b9312b78b3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0906000000-cbc0ac99651dcf244c6cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01t9-0900000000-45e729bb952bf46c6c81Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1900000000-3c0b2116f600b5e42772Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-2900000000-7db83ea06645d920fc36Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3900000000-6076de3ccc95186d3083Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-56e898564ed2199ae328Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0906000000-c0e21ba1862cfe9d1ccfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01t9-0900000000-7b86cd9e2961f81a1b27Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1900000000-5eec05ea41af9b11f73fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-2900000000-72f4dd6f6e2d0e14c234Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3900000000-cfc10b9b7896ba4ea874Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-0900000000-9cec2aa3eaed3fd3db56Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1900000000-46d8a2c85f55728c6087Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3900000000-860e0e45f099006579fcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-0900000000-2334807b29cd171659b9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-0900000000-1b296765c6c646b3dd53Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-1905000000-4bceb1887e15e32eea63Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-2900000000-18f676656891c6b89484Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-7b1368df2f08ebba94cbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1900000000-42dbbb6e9b1e5db65540Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-fc03d43145b4d7923be8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0906000000-cbc0ac99651dcf244c6cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01t9-0900000000-45e729bb952bf46c6c81Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-9bbaca4c62706668edcbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-d56c5e57ccf253c0314dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-0900000000-8595625339496a2e8a16Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0009000000-d358bd257af3893de26fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3900000000-da82b6fea1be76c5f2dcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-3900000000-aa0ce34fe9b9fa35f64eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-0900000000-69961f167def90c00219Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0906000000-c0e21ba1862cfe9d1ccfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03fr-1905000000-164028aff0766f6935c9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-68ed903c2c78b374365eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01t9-0900000000-7b86cd9e2961f81a1b27Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01t9-0900000000-4172cdcda50bb91ce020Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-327a5c91ff007c309e4aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-294f91862d1c70a6542bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0905000000-a9cfed7048f4e4d124aeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-02t9-0009000000-3cbb867b1c9bd6f46b73Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0900000000-f48b8533b2ed674425ebNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-246513219377afac5e5cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0bt9-0900000000-298ab05e5d1da5689980Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-5739e5a3e2c232cada58Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-df2f5eeffcd9b46c5ffeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-2900000000-3e393596db10ec0679e8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-1900000000-b798ba01e10c2a20b787Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-1e1a66cc3faa0105ec7fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-02t9-0009000000-63cde6c2fbe5a7391168Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0309000000-3be2e98c9ef7750792c9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01t9-0902000000-1c808ace80b0268ce17bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fbj-2900000000-c88adee828bacd4b3cc3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08i0-0906000000-257177f3c55f1c0c041aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056r-0901000000-ccabc79038b312b522d8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a6r-1900000000-9907401390042e03344bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056r-0900000000-1c05b32c5eea805520b6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a6r-0900000000-15327780a6a28f621b97Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0920000000-bcf642b6351fff947ae8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0109000000-c511e2531d85eb2638faNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01t9-0901000000-eb45a9e8e5979e0ff549Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-005a-3920000000-b7992e41464b7e34a100Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2570.0 Log mg/kg [1400:4600]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 EffectRelationshipDirectionDescriptionReference
hypertensionAssociated With?increaseA disorder characterized by a pathological increase in blood pressure; a repeatedly elevation in the blood pressure exceeding 140 over 90 mm Hg. (NCI CTCAE)PMC11323763
type 2 diabetes mellitusAssociated With?Not AvailableNot AvailablePMC8794682
obesityElevated in Urine InincreaseA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC8794682
obesityAssociated With?increaseA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC8794682 , PMC8794682
COVID-19Associated With?Not AvailableNot AvailablePMC9795800
allergic diseaseAssociated With?Not AvailableAllergic diseases, also known as allergies, are a number of conditions caused by hypersensitivity of the immune system to typically harmless substances in the environment. These diseases include hay fever, food allergies, atopic dermatitis, allergic asthma, and anaphylaxis. Symptoms may include red eyes, an itchy rash, sneezing, a runny nose, shortness of breath, or swelling. Common allergens include pollen and certain foods. Metals and other substances may also cause allergies. Food, insect stings, and medications are common causes of severe allergic reactions. Allergies can be due to both genetic and environmental factors. The underlying mechanism involves immunoglobulin E antibodies (IgE) binding to an allergen and then to a receptor on mast cells or basophils where it triggers the release of inflammatory chemicals such as histamine. Allergies are among the most common conditions in the world. In the developed world, about 20% of people are affected by allergic rhinitis, about 6% of people have at least one food allergy, and about 20% have atopic dermatitis at some point in time.PMC3974611
colitisAssociated With?Not AvailableA disorder characterized by inflammation of the colon. (NCI CTCAE)PMC8126057
Chronic DiseaseAssociated With?Not AvailableNot AvailablePMC8794682
DNA DamageAssociated With?decreaseNot AvailablePMC8126057
prediabetes syndromeAssociated With?Not AvailableNot AvailablePMC8794682
prediabetes syndromeAssociated With?increaseNot AvailablePMC12487381
infectious diseaseAssociated With?decreaseNot AvailablePMC10459940
Reproductive HealthAssociated With?Not AvailableNot AvailablePMC3974611
colonic diseaseAssociated With?Not AvailableNot AvailablePMC8126057
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
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 managementPMC8126057 , PMC9324927
CEDs000018Indoor dust?Indoor dust is a complex mixture of particles that accumulates in indoor environments, consisting of materials such as skin flakes, hair, textile fibers, and particles from outdoor sources.Air, dust & atmospheric transportPMC6290264
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC13027295 , PMC8718386
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC9180842 , PMC8126057
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC13027295 , PMC11439871
CEDs000116Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.Drinking water & water supplyPMC5649192
CEDs000155Detergents?Detergents are synthetic surfactants used in various cleaning applications, designed to break down and remove dirt, grease, and stains from surfaces and fabrics.Household cleaning & consumer productsPMC8126057 , PMC8858442
CEDs000156Disinfectants?Disinfectants are synthetic chemicals designed to eliminate or inhibit the growth of microorganisms on surfaces.Household cleaning & consumer productsPMC9795800 , PMC9692320
CEDs000164Toys?Toys can be a source of synthetic chemical contamination due to the materials and additives used in their production.Household itemsPMC8126057 , PMC5644973
CEDs000181Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.Marine, shipping & aquaculturePubChem
CEDs000182Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.Marine, shipping & aquaculturePubChem
CEDs000214Toothpaste?Toothpaste often contains a variety of synthetic chemicals that serve specific functions, such as abrasives, foaming agents, and flavoring agents.Personal care & cosmeticsPMC8126057 , PMC8858442
CEDs000223Deodorant?Deodorants commonly contain synthetic chemicals, including aluminum compounds, parabens, and synthetic fragrances, which serve various functions such as odor neutralization and skin conditioning.Personal care & cosmeticsPMC5594736
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
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsPMC7073082
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC3462666
CEDs000469Sewage sludge?Sewage sludge is a byproduct generated during the treatment of wastewater in municipal and industrial processes.Wastewater, sanitation & biosolidsPMC9180842 , PMC3974611
CEDs000476Biosolids?Biosolids are nutrient-rich organic materials derived from the treatment of sewage sludge during wastewater management processes.Wastewater, sanitation & biosolidsPMC3018501 , PMC8126057
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC9180842 , PMC9180842
CEDs000484Activated sludge?Activated sludge refers to a mixture of microorganisms and organic matter used in the biological treatment of wastewater.Wastewater, sanitation & biosolidsPMC9793094 , PMC12104610
CEDs000485Primary sludge?Primary sludge is a byproduct generated from the sedimentation of solid materials during the initial stages of wastewater treatment.Wastewater, sanitation & biosolidsPMC9692320
CEDs000490Personal care & cosmeticsNot Available
CEDs000503Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.Building & ConstructionPubChem
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
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
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
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
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
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
CEDs000564Soap Dispensers?Soap dispensers, commonly used for dispensing liquid soaps and sanitizers, can become a source of synthetic chemical contamination due to the materials used in their construction and the products they dispense.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
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000583Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.Marine, shipping & aquaculturePubChem
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
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
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
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
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.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
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000651Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.Textiles, leather & furnishingsPubChem
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 & furnishingsPubChem
CEDs000663Sanitary Equipment?Sanitary equipment, including toilets, sinks, and drainage systems, can serve as conduits for synthetic chemical contamination.Wastewater, sanitation & biosolidsPubChem
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
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000692Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.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
CEDs000719Ink Reservoir Pens?Ink reservoir pens are writing instruments that contain a reservoir filled with ink, often made from synthetic dyes and solvents.Paper, pulp & fiber productsPubChem
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 productsPubChem
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 & ConstructionPubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
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
CEDs00807Soil MatrixAgriculture & land managementPMC9385088
CEDs01144FoodFood, food processing & cookwarePMC5594736
CEDs01153Breast MilkFood, food processing & cookwarePMC7729486
CEDs01198HoneyFood, food processing & cookwarePMC12191833 , PMC12191833
CEDs01199Honey SamplesFood, food processing & cookwarePMC12191833 , PMC12191833
CEDs01226SeafoodFood, food processing & cookwarePMC7915293
CEDs01821Food Packaging MaterialsPackagingPMC8126057
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC5644973 , PMC3974611
CEDs01902Plastic ProductsIndustrial manufacturing & chemical processingPMC11594987
CEDs01985Industrial ProductsIndustrial manufacturing & chemical processingPMC5581466 , PMC5742433
CEDs02255WaterAquatic systems & sedimentsPMC9180842 , PMC10421186
CEDs02261Sea WaterAquatic systems & sedimentsPMC3974611 , PMC9692320
CEDs02264SedimentAquatic systems & sedimentsPMC3018501 , PMC8126057
CEDs02265River WaterAquatic systems & sedimentsPMC9692320
CEDs02268Water SamplesAquatic systems & sedimentsPMC6272018
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC9692320
CEDs02279PorewaterAquatic systems & sedimentsPMC2827628
CEDs02289StreamAquatic systems & sedimentsPMC3974611 , PMC11668508
CEDs02290Freshwater SedimentsAquatic systems & sedimentsPMC9692320
CEDs02293Fresh WaterAquatic systems & sedimentsPMC13276463 , PMC13276463
CEDs02330River SedimentsAquatic systems & sedimentsPMC9692320
CEDs02337North SeaAquatic systems & sedimentsPMC9692320
CEDs02340Water BodyAquatic systems & sedimentsPMC8126057 , PMC12104610
CEDs02365Estuarine SedimentsAquatic systems & sedimentsPMC8126057
CEDs02448Coastal EnvironmentsAquatic systems & sedimentsPMC9692320
CEDs02471Mediterranean SeaAquatic systems & sedimentsPMC9692320
CEDs02496Songhua RiverAquatic systems & sedimentsPMC9692320
CEDs02590DustAir, dust & atmospheric transportPMC6290264 , PMC6290264
CEDs02593House DustAir, dust & atmospheric transportPMC7856225 , PMC3974611
CEDs02668Indoor DustsAir, dust & atmospheric transportPMC8126057
CEDs02738PaintBuilding & ConstructionPMC5644973 , PMC3974611
CEDs02845CosmeticsPersonal care & cosmeticsPMC10989948 , PMC11594987
CEDs02847Personal Care ProductsPersonal care & cosmeticsPMC4498237 , PMC8126057
CEDs02849ToothpastesPersonal care & cosmeticsPMC5644973 , PMC9692320
CEDs02850DeodorantsPersonal care & cosmeticsPMC8126057 , PMC3376094
CEDs02854ShampooPersonal care & cosmeticsPMC5594736
CEDs02855Cosmetic ProductPersonal care & cosmeticsPMC10715026
CEDs02857Body WashesPersonal care & cosmeticsPMC8126057 , PMC10989948
CEDs02862ShampoosPersonal care & cosmeticsPMC10989948 , PMC8794682
CEDs02863Body LotionsPersonal care & cosmeticsPMC8126057
CEDs02865Personal CarePersonal care & cosmeticsPMC5581466 , PMC5742433
CEDs02870Consumer and Personal Care ProductsPersonal care & cosmeticsPMC8858442 , PMC7729486
CEDs02871Pharmaceutical and Personal Care ProductsPersonal care & cosmeticsPMC8126057
CEDs02872Household and Personal Care ProductsPersonal care & cosmeticsPMC8126057
CEDs02932KitchenHousehold itemsPMC8126057
CEDs02939HouseholdHousehold itemsPMC5581466 , PMC5742433
CEDs02943Household GoodsHousehold itemsPMC5484741
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC9180842 , PMC8126057
CEDs03011Domestic SewageWastewater, sanitation & biosolidsPMC10601076 , PMC10601076
CEDs03013EffluentsWastewater, sanitation & biosolidsPMC9692320
CEDs03014SewageWastewater, sanitation & biosolidsPMC11504238 , PMC9692320
CEDs03017SludgeWastewater, sanitation & biosolidsPMC9180842 , PMC9180842
CEDs03023Effluent SamplesWastewater, sanitation & biosolidsPMC9180842
CEDs03028Wastewater EffluentWastewater, sanitation & biosolidsPMC8126057
CEDs03038Wastewater InfluentWastewater, sanitation & biosolidsPMC9180842 , PMC9180842
CEDs03040Wastewater SludgeWastewater, sanitation & biosolidsPMC9180842 , PMC7729486
CEDs03043WWTPsWastewater, sanitation & biosolidsPMC9692320
CEDs03049Raw SewageWastewater, sanitation & biosolidsPMC9180842 , PMC3974611
CEDs03050Sludge SamplesWastewater, sanitation & biosolidsPMC9180842 , PMC9180842
CEDs03073Treated WastewaterWastewater, sanitation & biosolidsPMC7729486
CEDs03093BiosolidWastewater, sanitation & biosolidsPMC8126057
CEDs03150Municipal SludgeWastewater, sanitation & biosolidsPMC3974611 , PMC7729486
CEDs03162Digested SludgeWastewater, sanitation & biosolidsPMC7729486 , PMC7729486
CEDs03170SoapsHousehold cleaning & consumer productsPMC4498237 , PMC8126057
CEDs03171SoapHousehold cleaning & consumer productsPMC8126057 , PMC3376094
CEDs03175DetergentHousehold cleaning & consumer productsPMC5594736
CEDs03177Hand SoapHousehold cleaning & consumer productsPMC5644973 , PMC7179069
CEDs03182Cleaning AgentHousehold cleaning & consumer productsPMC12191833
CEDs03185Antibacterial SoapsHousehold cleaning & consumer productsPMC8126057
CEDs03197Bar SoapHousehold cleaning & consumer productsPMC5594736 , PMC5594736
CEDs03198Liquid SoapHousehold cleaning & consumer productsPMC4977060
CEDs03203TextileTextiles, leather & furnishingsPMC5484741 , PMC7073082
CEDs03215ClothingTextiles, leather & furnishingsPMC8126057 , PMC5644973
CEDs03227CarpetsTextiles, leather & furnishingsPMC5644973 , PMC3974611
CEDs03282RunoffAutomotive & urban infrastructurePMC3462666 , PMC3462666
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Putative uncharacterized protein pk7 structureClick to view 3D structurePutative uncharacterized protein pk7O96214Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.49
Applicability Domain
0.846
Statistical Significance
2.00e-05
Supporting Reference Compounds
40
E-value
0.155698
Calcium-dependent protein kinase 4 structureClick to view 3D structureCalcium-dependent protein kinase 4Q8IBS5Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.49
Applicability Domain
0.846
Statistical Significance
7.00e-05
Supporting Reference Compounds
52
E-value
0.544945
Click to view 3D structureMitogen-activated protein kinaseQ25917Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.49
Applicability Domain
0.846
Statistical Significance
2.00e-05
Supporting Reference Compounds
38
E-value
0.155698
Proline--tRNA ligase structureClick to view 3D structureProline--tRNA ligaseQ8I5R7Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.49
Applicability Domain
0.846
Statistical Significance
2.00e-05
Supporting Reference Compounds
39
E-value
0.155698
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.459
Applicability Domain
0.7
Statistical Significance
0.003
Supporting Reference Compounds
472
E-value
23.5105
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.445
Applicability Domain
0.7
Statistical Significance
0.0031
Supporting Reference Compounds
372
E-value
23.9776
Mediator of RNA polymerase II transcription subunit 15 structureClick to view 3D structureMediator of RNA polymerase II transcription subunit 15Q6FRS9Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 /NRRL Y-65) (Yeast) (Torulopsis glabrata)Predicted (SEA)
Prediction Confidence Score
0.432
Applicability Domain
0.432
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.43
Applicability Domain
0.714
Statistical Significance
8.80e-04
Supporting Reference Compounds
39
E-value
6.85073
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.43
Applicability Domain
0.714
Statistical Significance
0.002
Supporting Reference Compounds
175
E-value
15.5698
Click to view 3D structurePeptidyl-prolyl cis-trans isomerase AP10111Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.425
Applicability Domain
0.425
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.404
Applicability Domain
0.526
Statistical Significance
0.0129
Supporting Reference Compounds
763
E-value
100.425
Click to view 3D structureGlycogen phosphorylase, muscle formP09812Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.396
Applicability Domain
0.396
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.389
Applicability Domain
0.433
Statistical Significance
0.0138
Supporting Reference Compounds
742
E-value
107.743
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.543
Statistical Significance
0.0014
Supporting Reference Compounds
46
E-value
11.0546
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansKnownNot Available
Aromatase structureClick to view 3D structureAromataseP11511HumansKnownNot Available
Click to view 3D structureVascular endothelial growth factor receptor 2P35918MouseKnownNot Available
O-phosphoserine sulfhydrylase structureClick to view 3D structureO-phosphoserine sulfhydrylaseP9WP53Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.611
Applicability Domain
0.611
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Bifunctional epoxide hydrolase 2 structureClick to view 3D structureBifunctional epoxide hydrolase 2P34913HumansPredicted (SEA)
Prediction Confidence Score
0.599
Applicability Domain
1.0
Statistical Significance
5.00e-05
Supporting Reference Compounds
93
E-value
0.389246
Click to view 3D structureEpoxide hydrolase 1P07099HumansPredicted (SEA)
Prediction Confidence Score
0.583
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
18
E-value
0.0778492
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.541
Applicability Domain
0.714
Statistical Significance
7.30e-04
Supporting Reference Compounds
200
E-value
5.68299
Click to view 3D structureEpoxide hydrolase 1Q9D379Mus musculusPredicted (SEA)
Prediction Confidence Score
0.519
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
8
E-value
0.155698
Click to view 3D structureCalcium-dependent protein kinase 1P62344Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.516
Applicability Domain
0.846
Statistical Significance
1.90e-04
Supporting Reference Compounds
123
E-value
1.47914
Click to view 3D structurePhotosystem II protein D1P06402Marchantia polymorphaPredicted (SEA)
Prediction Confidence Score
0.515
Applicability Domain
0.559
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Epoxide hydrolase B structureClick to view 3D structureEpoxide hydrolase BP95276Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)Predicted (SEA)
Prediction Confidence Score
0.512
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
NH(3)-dependent NAD(+) synthetase structureClick to view 3D structureNH(3)-dependent NAD(+) synthetaseQ81RP3Bacillus anthracisPredicted (SEA)
Prediction Confidence Score
0.5
Applicability Domain
0.5
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
Click to view 3D structureCdk-related protein kinase 6O77239Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.495
Applicability Domain
0.846
Statistical Significance
1.40e-04
Supporting Reference Compounds
43
E-value
1.08989
Lysine--tRNA ligase structureClick to view 3D structureLysine--tRNA ligaseQ8IDJ8Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.49
Applicability Domain
0.846
Statistical Significance
2.00e-05
Supporting Reference Compounds
39
E-value
0.155698
Concentrations
Not Available
External Links
DrugBank IDDB11155
HMDB IDHMDB0240702
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTriclocarban
Chemspider ID7266
ChEBI ID48347
PubChem Compound ID7547
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available