Pyridaben (CED0009780)

Record Information

Version

1.0

Creation Date

2013-04-25 07:56:54 UTC

Update Date

2026-08-20 03:54:25 UTC

SynCED ID

CED0009780

Secondary Accession Numbers

CHEM002876
T3D3915

Identification

Common Name

Pyridaben

Class

Small Molecule

Description

Pyridaben is an exogenous organic compound with the formula C19H25ClN2OS and an average molecular weight of 364.93 g/mol. Pyridaben belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. At room temperature, this substance exists as a solid. It functions biologically and chemically as a mitochondrial NADH:ubiquinone reductase inhibitor. The compound has been recorded in three sources, including drinking water, floors in building and construction, and the preparation of malt in food, food processing and cookware. The recorded route of exposure is oral. Pyridaben interacts with 20 recorded protein targets, including the bile salt export pump (ABCB11), C-C motif chemokine 2 (CCL2), ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38), and tumor necrosis factor receptor superfamily member 5 (CD40), among 16 other proteins.

Contaminant Type

Ester
Ether
Insecticide
Organic Compound
Organochloride
Pesticide
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-Chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone	ChEBI
Sanmite	ChEBI
2-Tert-butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one	MeSH

Chemical Formula

C₁₉H₂₅ClN₂OS

Average Molecular Mass

364.933 g/mol

Monoisotopic Mass

364.138 g/mol

CAS Registry Number

96489-71-3

IUPAC Name

2-tert-butyl-5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-chloro-2,3-dihydropyridazin-3-one

Traditional Name

pyridaben

SMILES

CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O

InChI Identifier

InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3

InChI Key

DWFZBUWUXWZWKD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Phenylpropanes

Direct Parent

Phenylpropanes

Alternative Parents

Substituents

Phenylpropane
Aryl thioether
Pyridazinone
Alkylarylthioether
Aryl chloride
Aryl halide
Pyridazine
Vinylogous thioester
Heteroaromatic compound
Lactam
Azacycle
Thioether
Sulfenyl compound
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

organochlorine insecticide (CHEBI:38626 )
pyridazinone (CHEBI:38626 )
organochlorine acaricide (CHEBI:38626 )
Pesticides (C18614 )

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

mitochondrial NADH:ubiquinone reductase inhibitor ?
pesticide (PMC10521027 , PMC7222500 )?
acaricide (PMC12220261 )?

Chemical Roles

mitochondrial NADH:ubiquinone reductase inhibitor ?

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White crystals.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.00024 g/L	ALOGPS
logP	5.52	ALOGPS
logP	5.2	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	32.67 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	105.53 m³·mol⁻¹	ChemAxon
Polarizability	38.97 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	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0009000000-5f4755977cad1dfdc13f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4j-0309000000-8d10e240f475ede0d247	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-07cc27e240b9f7970542	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000t-0900000000-9182df75efb26f2cdcdb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0903000000-9cb6e5154bb3bffc0c21	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0159-0900000000-43432569f53b3de8ac9c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-015a-0900000000-1f92c2e392b74bdb3f73	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0902000000-703f90b510ace30b4975	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0009000000-79889298db9601e5a042	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-fabc24c805bbb32e4b70	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-65e73bc48a8675df33b6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000t-0900000000-9182df75efb26f2cdcdb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0900000000-07cc27e240b9f7970542	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0009000000-5f4755977cad1dfdc13f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4j-0309000000-8d10e240f475ede0d247	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-066r-0009000000-3b8740ee98b8eeed32c0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-0619000000-beaa9edd8a24e66612fb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0922000000-cfcf24cf44625840aafb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0009000000-f0c4bf7a4e461477c429	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dr-2935000000-e9c1f257b398deb99bd1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-4900000000-fc406ae7d9987403d1cd	Not Available	View Spectrum
MS	MS Spectrum	splash10-0002-0901000000-6293bd206d65f770c980	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
161.0 mg/kg	rat	LD50	acute	experimental	Not Available	1
871.0 Log mg/kg [490:1500]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
autistic disorder	Associated With?	Not Available	Not Available	PMC7222500

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
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
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
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
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
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
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	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
CEDs000615	Eye 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 & cosmetics	PubChem
CEDs000617	Lip 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 & cosmetics	PubChem
CEDs000618	Lip 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 & cosmetics	PubChem
CEDs000652	Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns 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 & 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
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	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
CEDs000707	Books?Books can be a source of synthetic chemical contamination due to the use of various chemicals in their production and preservation processes.	Paper, pulp & fiber products	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
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	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
CEDs00939	Agricultural Produce	Agriculture & land management	PMC7222500
CEDs01170	Eggs	Food, food processing & cookware	PMC8348328
CEDs02901	Filter Papers	Paper, pulp & fiber products	PMC12220261

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	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	P25708	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.448 Applicability Domain 0.448 Statistical Significance 6.00e-05 Supporting Reference Compounds 1 E-value 0.467095
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.385 Applicability Domain 1.0 Statistical Significance 0.001 Supporting Reference Compounds 205 E-value 8.17417
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 1.0 Statistical Significance 5.40e-04 Supporting Reference Compounds 115 E-value 4.20386
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.363 Applicability Domain 1.0 Statistical Significance 0.0038 Supporting Reference Compounds 425 E-value 29.5049
Click to view 3D structure	Galanin receptor type 3	O60755	Humans	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 1.0 Statistical Significance 8.00e-05 Supporting Reference Compounds 41 E-value 0.622794
Click to view 3D structure	COUP transcription factor 2	P24468	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 1.0 Statistical Significance 7.00e-05 Supporting Reference Compounds 43 E-value 0.544945
Click to view 3D structure	G-protein coupled receptor 183	P32249	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 1.0 Statistical Significance 0.0013 Supporting Reference Compounds 63 E-value 10.1204
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.283 Low confidence Statistical Significance 0.0684 Supporting Reference Compounds 296 E-value 532.567
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.3 Statistical Significance 0.0832 Supporting Reference Compounds 226 E-value 647.783
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.3 Statistical Significance 0.0833 Supporting Reference Compounds 227 E-value 648.173
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.283 Low confidence Statistical Significance 0.0453 Supporting Reference Compounds 117 E-value 352.735
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.31 Statistical Significance 0.5756 Supporting Reference Compounds 1245 E-value 4481.08
Click to view 3D structure	Outer-membrane lipoprotein carrier protein	P61316	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.243 Low confidence Statistical Significance 0.0044 Supporting Reference Compounds 1 E-value 34.1758
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.254 Low confidence Statistical Significance 0.5429 Supporting Reference Compounds 1130 E-value 4226.2
Click to view 3D structure	Histone acetyltransferase KAT2B	Q92831	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.274 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 43 E-value 29.0378
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.254 Low confidence Statistical Significance 0.6931 Supporting Reference Compounds 1538 E-value 5395.57
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.254 Low confidence Statistical Significance 0.5141 Supporting Reference Compounds 825 E-value 4001.92
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.254 Low confidence Statistical Significance 0.54 Supporting Reference Compounds 793 E-value 4203.62
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.246 Low confidence Statistical Significance 0.3193 Supporting Reference Compounds 472 E-value 2486.11
Click to view 3D structure	Tegument protein VP16	P06492	Herpes simplex virus (type 1 / strain 17)	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.357 Statistical Significance 0.0752 Supporting Reference Compounds 75 E-value 585.582
Click to view 3D structure	Lysophospholipase-like protein 1	Q3UFF7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.224 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 21.9535
Click to view 3D structure	Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C	Q14123	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.31 Statistical Significance 0.0237 Supporting Reference Compounds 42 E-value 184.658
Click to view 3D structure	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.31 Statistical Significance 0.0743 Supporting Reference Compounds 96 E-value 578.731
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.283 Low confidence Statistical Significance 0.187 Supporting Reference Compounds 126 E-value 1456.17
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.3 Statistical Significance 0.1158 Supporting Reference Compounds 75 E-value 901.728
Click to view 3D structure	Androgen receptor	P10275	Humans	Known	Not Available
Click to view 3D structure	Estrogen receptor	P03372	Humans	Known	Not Available
Click to view 3D structure	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	P28907	Humans	Known	Not Available
Click to view 3D structure	C-C motif chemokine 2	P13500	Humans	Known	Not Available
Click to view 3D structure	E-selectin	P16581	Humans	Known	Not Available
Click to view 3D structure	Interleukin-8	P10145	Humans	Known	Not Available
Click to view 3D structure	Transforming growth factor beta-1 proprotein	P01137	Humans	Known	Not Available
Click to view 3D structure	Tumor necrosis factor receptor superfamily member 5	P25942	Humans	Known	Not Available
Click to view 3D structure	Urokinase plasminogen activator surface receptor	Q03405	Humans	Known	Not Available
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Known	Not Available
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Known	Not Available
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 3	Q14994	Humans	Known	Not Available
Click to view 3D structure	Hypoxia-inducible factor 1-alpha	Q16665	Humans	Known	Not Available
Click to view 3D structure	Interleukin-1 alpha	P01583	Humans	Known	Not Available
Click to view 3D structure	Urokinase-type plasminogen activator	P00749	Humans	Known	Not Available
Click to view 3D structure	Sulfotransferase 2A1	Q06520	Humans	Known	Not Available
Click to view 3D structure	Nuclear receptor ROR-alpha	P35398	Humans	Known	Not Available
Click to view 3D structure	Bile salt export pump	O95342	Humans	Known	Not Available
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Known	Not Available
Click to view 3D structure	25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial	O15528	Humans	Known	Not Available