Dicofol (CED0009664)

Record Information

Version

1.0

Creation Date

2009-03-06 18:58:09 UTC

Update Date

2026-08-19 08:30:59 UTC

SynCED ID

CED0009664

Secondary Accession Numbers

CHEM000134
T3D0144

Identification

Common Name

Dicofol

Class

Small Molecule

Description

Dicofol belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This exogenous solid has the formula C14H9Cl5O and an average molecular weight of 370.49 g/mol. It is used industrially as a pesticide (PMC5393290 , PMC5983739 ) and an acaricide (PMC4092345 , PMC4871908 ). Dicofol is also categorized as a biological endocrine disruptor (PMC10664694 ). It has been recorded in 14 sources, including drinking water, floors, soap detergents, perfumes within detergents and soaps, and various food processing activities such as the preparation of malt and fermentation processes for beer. The recorded exposure route is oral. Dicofol interacts with 63 protein targets. It inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, leading to the accumulation of intracellular free calcium ions, the release of neurotransmitters from storage vesicles, and the propagation of stimuli throughout the central nervous system. It further inhibits the ability of calmodulin to transport calcium ions, which reduces the rate of depolarization and increases neuronal sensitivity to small stimuli. As an endocrine disruptor, it binds to and inhibits the estrogen receptor (ESR1, ESR2) and the androgen receptor (AR), and it may inhibit cytochrome P-450 19A1 (aromatase), altering sex hormone metabolism. Additionally, it competitively binds transthyretin (TTR), lowering plasma thyroid hormone levels. Dicofol also antagonizes GABA-A receptors (including GABRA1, GABRA2, GABRA3, and GABRA4), blocking GABA-induced chloride ion uptake. Finally, it inhibits the inactivation of voltage-gated sodium channels (including SCN1A, SCN10A, SCN11A, and HCN2), interfering with sodium transport during repolarization and causing hyperexcitability.

Contaminant Type

Aromatic Hydrocarbon
Industrial/Workplace Toxin
Lachrymator
Organic Compound
Organochloride
Pesticide
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol	ChEBI
1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol	ChEBI
2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol	ChEBI
4,4'-Dichloro-alpha-(trichloromethyl)benzhydrol	ChEBI
4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol	ChEBI
Acarin	ChEBI
Di-(p-chlorophenyl)trichloromethylcarbinol	ChEBI
DTMC	ChEBI
Kelthane	ChEBI
Mitigan	ChEBI
p,p-Dicofol	ChEBI
4,4'-Dichloro-a-(trichloromethyl)benzhydrol	Generator
4,4'-Dichloro-α-(trichloromethyl)benzhydrol	Generator
4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol	Generator
4-Chloro-α-(4-chlorophenyl)-α-(trichloromethyl)benzenemethanol	Generator
Keltane	MeSH

Chemical Formula

C₁₄H₉Cl₅O

Average Molecular Mass

370.486 g/mol

Monoisotopic Mass

367.910 g/mol

CAS Registry Number

115-32-2

IUPAC Name

2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethan-1-ol

Traditional Name

dicofol

SMILES

OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl

InChI Identifier

InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H

InChI Key

UOAMTSKGCBMZTC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylmethanes

Direct Parent

Diphenylmethanes

Alternative Parents

Substituents

Diphenylmethane
Chlorobenzene
Halobenzene
Aryl chloride
Aryl halide
Tertiary alcohol
Halohydrin
Chlorohydrin
Organochloride
Organohalogen compound
Aromatic alcohol
Hydrocarbon derivative
Organic oxygen compound
Alkyl chloride
Alcohol
Alkyl halide
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

tertiary alcohol (CHEBI:34692 )
monochlorobenzenes (CHEBI:34692 )
organochlorine acaricide (CHEBI:34692 )
Acaricides (C14301 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Membrane

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

insecticide (PMC12439867 , PMC10005433 )?
pesticide (PMC13140735 , PMC3114098 )?
endocrine disruptor (PMC10664694 , PMC6295629 )?
acaricide (PMC8954870 )?
organochlorine acaricide (PMC3515905 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	77.5°C
Boiling Point	Not Available
Solubility	0.0008 mg/mL at 25 °C [TOMLIN,C (1997)]

Predicted Properties

Property	Value	Source
Water Solubility	0.0001 g/L	ALOGPS
logP	5.59	ALOGPS
logP	5.56	ChemAxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	11.03	ChemAxon
pKa (Strongest Basic)	-4.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	86.81 m³·mol⁻¹	ChemAxon
Polarizability	33.08 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0udr-6980000000-1194141018f6ebab2656	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-c280b963638b7e0e5a0a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0019000000-fc7eb9a2ea97f037b072	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0490000000-f51f126c68d9d6426283	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-a0b7c6ac1f1ab734fe45	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03xr-0915000000-1da7cfbf512196658fde	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dj-0982000000-757981834cf4e899f9aa	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-7a5daea377bb0304cb41	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-7a5daea377bb0304cb41	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-1439000000-3eeec9d362e5b14ac7a2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-cf1e107d16eb7c9fa93e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0219000000-49d35f215ffc3df27cf9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0149000000-abcde91e107317ee4fb1	Not Available	View Spectrum
MS	MS Spectrum	splash10-0udr-2950000000-3f1491713e95b5a6218d	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
595.0 mg/kg	Rat	LD50	Oral	experimental	Not Available	9
2100.0 mg/kg	Rabbit	LD50	Percutaneous	experimental	Not Available	8
100.0 ppm	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
500.0 ppm	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
500.0 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
20.0 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
30.0 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
59.28 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
1250.0 ppm	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
500.0 ppm	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
1.56 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
225.0 ppm	Mouse	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
500.0 ppm	Mouse	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
19.2 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
96.0 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
10.0 ppm	Rat	LOEC	oral	experimental	Not Available	ECOTOX - EPA ORD
5.0 ppm	Rat	NOEC	oral	experimental	Not Available	ECOTOX - EPA ORD
9.6 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
96.0 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
0.156 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
1.17 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
4.8 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
300.0 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
400.0 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
1000.0 ppm	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
500.0 ppm	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
50.0 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
500.0 ppm	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
1000.0 ppm	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
3.072 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
75.0 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
4.8 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
19.2 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
51.4 mg/kg-day	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
96.0 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
19.2 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
2.2 mg/kg-day	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
9.6 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
3.072 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
21.9 mg/kg-day	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
2.2 mg/kg-day	Rat	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
102.9 mg/kg-day	Rat	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
1.56 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
1.56 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
87.4 mg/kg-day	Rat	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
200.0 mg/kg-day	Mouse	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
100.0 ppm	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
78.0 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
39.0 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
7.8 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
19.5 mg/kg-day	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
200.0 mg/kg-day	Mouse	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
78.0 mg/kg-day	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
111.0 mg/kg-day	Mouse	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
55.5 mg/kg-day	Mouse	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
55.5 mg/kg-day	Mouse	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Like other organochloride pesticides, dicofol is believed to act by at least four mechanisms, possibly all functioning simultaneously. It may reduce potassium transport across the membrane. Dicofol also alters the porous channels through which sodium ions pass. These channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization. Dicofol inhibits neuronal adenosine triphosphatases (ATPases), particularly Na+K+-ATPase, and Ca2+-ATPase which play vital roles in neuronal repolarization. Dicofol also inhibits the ability of calmodulin, a calcium mediator in nerves, to transport calcium ions that are essential for the release of neurotransmitters. All these inhibited functions reduce the rate of depolarization and increase the sensitivity of neurons to small stimuli that would not elicit a response in a fully depolarized neuron. Difocol is also an endocrine disruptor and binds both the androgen and estrogen receptor. In addition, it may alter sex hormone metabolism by directly inhibiting cytochrome P-450 19A1. Difocol is able to competitively bind transthyretin, which lowers plasma thyroid hormone levels. (7, 1, 2, 3)

Carcinogenicity (IARC Classification)

3, not classifiable as to its carcinogenicity to humans. (4)

Minimum Risk Level

Not Available

Symptoms

Symptoms exposure include nausea, dizziness, weakness and vomiting. Dermal exposure may cause skin irritation or a rash, and eye contact may cause conjunctivitis. (7, 5)

Treatment

Treatment of dicofol poisoning is mainly symptomatic. Areas of contact should be washed with soap and water, and gastric lavage may be performed if ingested. (6)

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000013	Soil?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 management	PMC11046421 , PMC12822544
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	Not Available
CEDs000181	Ballast 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 & aquaculture	PubChem
CEDs000182	Bilge 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 & aquaculture	PubChem
CEDs000468	Industrial wastewater?Industrial wastewater is a byproduct generated during various manufacturing and processing activities, which often contains a complex mixture of organic and inorganic synthetic chemicals.	Wastewater, sanitation & biosolids	PMC11238013
CEDs000497	Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.	Building & Construction	PubChem
CEDs000511	Conductors 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 Equipment	PubChem
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed 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 Equipment	PubChem
CEDs000524	Hybrid 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 Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000539	Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.	Electrical & Electronic Equipment	PubChem
CEDs000544	Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.	Food, food processing & cookware	PubChem
CEDs000545	Food 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 & cookware	PubChem
CEDs000546	Molasses 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 & cookware	PubChem
CEDs000547	Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.	Food, food processing & cookware	PubChem
CEDs000561	Perfumes 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 products	PubChem
CEDs000563	Soap 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 products	PubChem
CEDs000583	Anchoring 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 & aquaculture	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000597	Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.	Agriculture & land management	PubChem
CEDs000598	Fertiliser 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 management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?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 management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000607	Rodenticides(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 management	PubChem
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000614	Essential 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 & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000671	Airplanes 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 & Aerospace	PubChem
CEDs000673	Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.	Aviation & Aerospace	PubChem
CEDs000678	Nitrogenous 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 management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000684	Cements?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 & Construction	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000743	Sludge 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 & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs00753	Agricultural Soil	Agriculture & land management	PMC9740990
CEDs00995	Pesticide Mixture	Agriculture & land management	PMC5983739
CEDs01148	Milk	Food, food processing & cookware	PMC10664694 , PMC10664694
CEDs01153	Breast Milk	Food, food processing & cookware	PMC8954870
CEDs01239	Tea	Food, food processing & cookware	PMC10664694 , PMC10664694
CEDs01349	Food of Animal Origin	Food, food processing & cookware	PMC10664694 , PMC10664694
CEDs01584	Tea Plants	Food, food processing & cookware	PMC11046421
CEDs02264	Sediment	Aquatic systems & sediments	PMC10180504 , PMC3114098
CEDs02297	Reservoir	Aquatic systems & sediments	PMC3114098
CEDs02348	Aquatic Products	Aquatic systems & sediments	PMC10180504
CEDs02378	Environmental Water	Aquatic systems & sediments	PMC10180504 , PMC10180504

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.325 Statistical Significance 0.1347 Supporting Reference Compounds 735 E-value 1048.47
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.325 Statistical Significance 0.2684 Supporting Reference Compounds 1130 E-value 2089.16
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.325 Statistical Significance 0.2435 Supporting Reference Compounds 834 E-value 1895.63
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.325 Statistical Significance 0.1934 Supporting Reference Compounds 681 E-value 1505.53
Click to view 3D structure	RAC-gamma serine/threonine-protein kinase	Q9Y243	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.325 Statistical Significance 0.1923 Supporting Reference Compounds 620 E-value 1497.27
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.325 Statistical Significance 0.4285 Supporting Reference Compounds 1538 E-value 3335.68
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.325 Statistical Significance 0.2518 Supporting Reference Compounds 811 E-value 1960.48
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.325 Statistical Significance 0.2397 Supporting Reference Compounds 797 E-value 1865.97
Click to view 3D structure	Serine/threonine-protein kinase N2	Q16513	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.325 Statistical Significance 0.1969 Supporting Reference Compounds 567 E-value 1533.16
Click to view 3D structure	RAC-beta serine/threonine-protein kinase	P31751	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.325 Statistical Significance 0.2011 Supporting Reference Compounds 631 E-value 1565.7
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.259 Low confidence Statistical Significance 4.40e-04 Supporting Reference Compounds 1 E-value 3.42537
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.325 Statistical Significance 0.2727 Supporting Reference Compounds 825 E-value 2122.95
Click to view 3D structure	Aromatase	P22443	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.448 Statistical Significance 1.40e-04 Supporting Reference Compounds 7 E-value 1.08989
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.286 Low confidence Statistical Significance 0.4061 Supporting Reference Compounds 1157 E-value 3161.53
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.286 Low confidence Statistical Significance 0.3473 Supporting Reference Compounds 906 E-value 2703.63
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.286 Low confidence Statistical Significance 0.3142 Supporting Reference Compounds 727 E-value 2445.79
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.286 Low confidence Statistical Significance 0.3141 Supporting Reference Compounds 742 E-value 2444.93
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 3	O43781	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.286 Low confidence Statistical Significance 0.213 Supporting Reference Compounds 412 E-value 1658.5
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 4	Q9NR20	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.286 Low confidence Statistical Significance 0.2068 Supporting Reference Compounds 393 E-value 1609.77
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.325 Statistical Significance 0.5194 Supporting Reference Compounds 1245 E-value 4043.33
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.325 Statistical Significance 0.3702 Supporting Reference Compounds 793 E-value 2881.67
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.277 Low confidence Statistical Significance 0.6045 Supporting Reference Compounds 1498 E-value 4705.83
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.286 Low confidence Statistical Significance 0.4267 Supporting Reference Compounds 967 E-value 3322.22
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.286 Low confidence Statistical Significance 0.4723 Supporting Reference Compounds 1274 E-value 3677.05
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.286 Low confidence Statistical Significance 0.5103 Supporting Reference Compounds 1660 E-value 3972.49
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Known	Not Available
Click to view 3D structure	Estrogen receptor	P03372	Humans	Known	Causes endocrine disruption in humans by binding to and inhibiting the estrogen receptor. (A590)
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Known	Causes endocrine disruption in humans by binding to and inhibiting the estrogen receptor. (A590)
Click to view 3D structure	Androgen receptor	P10275	Humans	Known	Difocol is also an endocrine disruptor and binds both the androgen and estrogen receptor. (A214)
Click to view 3D structure	Calcium-transporting ATPase type 2C member 1	P98194	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Aromatase	P11511	Humans	Known	Difocol may alter sex hormone metabolism by directly inhibiting cytochrome P-450 19A1. (A228)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-1	P14867	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-2	P47869	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-3	P34903	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-4	P48169	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-5	P31644	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-6	Q16445	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit beta-1	P18505	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit beta-2	P47870	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit beta-3	P28472	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit delta	O14764	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit epsilon	P78334	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit gamma-1	Q8N1C3	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit gamma-2	P18507	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit gamma-3	Q99928	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit pi	O00591	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit rho-1	P24046	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit rho-2	P28476	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit rho-3	A8MPY1	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit theta	Q9UN88	Humans	Known	This organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structure	Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2	Q9UL51	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	O14983	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P16615	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Sodium channel protein type 1 subunit alpha	P35498	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel protein type 10 subunit alpha	Q9Y5Y9	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel protein type 11 subunit alpha	Q9UI33	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel protein type 2 subunit alpha	Q99250	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel protein type 3 subunit alpha	Q9NY46	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel protein type 4 subunit alpha	P35499	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel protein type 5 subunit alpha	Q14524	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel protein type 8 subunit alpha	Q9UQD0	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel protein type 9 subunit alpha	Q15858	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel regulatory subunit beta-1	Q07699	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel regulatory subunit beta-2	O60939	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel regulatory subunit beta-3	Q9NY72	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium channel regulatory subunit beta-4	Q8IWT1	Humans	Known	Difocol inhibits the inactivation of voltaged-gated sodium channels. The channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization and resulting in a state of hyperexcitability. (A99)
Click to view 3D structure	Sodium/potassium-transporting ATPase subunit alpha-1	P05023	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Sodium/potassium-transporting ATPase subunit alpha-2	P50993	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Sodium/potassium-transporting ATPase subunit alpha-3	P13637	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Sodium/potassium-transporting ATPase subunit alpha-4	Q13733	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Sodium/potassium-transporting ATPase subunit beta-1	P05026	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Sodium/potassium-transporting ATPase subunit beta-2	P14415	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Sodium/potassium-transporting ATPase subunit beta-3	P54709	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Sodium/potassium-transporting ATPase subunit gamma	P54710	Humans	Known	This organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Known	Not Available
Click to view 3D structure	Transthyretin	P02766	Humans	Known	Difocol is able to competitively bind transthyretin, which lowers plasma thyroid hormone levels. (A229)
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Known	Not Available
Click to view 3D structure	C-C motif chemokine 2	P13500	Humans	Known	Not Available
Click to view 3D structure	Plasminogen activator inhibitor 1	P05121	Humans	Known	Not Available
Click to view 3D structure	Thrombomodulin	P07204	Humans	Known	Not Available
Click to view 3D structure	Tissue factor	P13726	Humans	Known	Not Available
Click to view 3D structure	Urokinase plasminogen activator surface receptor	Q03405	Humans	Known	Not Available
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Known	Not Available
Click to view 3D structure	UDP-glucuronosyltransferase 1A1	P22309	Humans	Known	Not Available
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Known	Not Available
Click to view 3D structure	Sulfotransferase 2A1	Q06520	Humans	Known	Not Available
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Known	Not Available
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Known	Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0251207

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Dicofol

Chemspider ID

7970

ChEBI ID

34692

PubChem Compound ID

Not Available

Kegg Compound ID

C14301

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Okubo T, Yokoyama Y, Kano K, Soya Y, Kano I: Estimation of estrogenic and antiestrogenic activities of selected pesticides by MCF-7 cell proliferation assay. Arch Environ Contam Toxicol. 2004 May;46(4):445-53. [PubMed: 15253041]
Vinggaard AM, Hnida C, Breinholt V, Larsen JC: Screening of selected pesticides for inhibition of CYP19 aromatase activity in vitro. Toxicol In Vitro. 2000 Jun;14(3):227-34. [PubMed: 10806373]
Van den Berg KJ, van Raaij JA, Bragt PC, Notten WR: Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol. 1991;65(1):15-9. [PubMed: 2043046]
International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. - http://monographs.iarc.fr/index.php
Wikipedia. Dicofol. Last Updated 2 February 2009. - http://en.wikipedia.org/wiki/Dicofol
International Programme on Chemical Safety (IPCS) INCHEM (1996). Pesticide Document for Dicofol. - http://www.inchem.org/documents/pds/pds/pest81_e.htm
Casarett LJ, Klaassen CD, and Watkins JB (2003). Casarett and Doull's essentials of toxicology. New York: McGraw-Hill/Medical Pub. Div.
Hartley D and Kidd H (1987). The Agrochemicals Handbook. 2nd ed. Lechworth, Herts, England: The Royal Society of Chemistry.
Montgomery, JH (1997). Agrochemicals Desk Reference. 2nd ed. Boca Raton, FL: Lewis Publishers.

Dicofol (CED0009664)

Structure for CHEM000134: Dicofol

No pathways found

Structure