Pentobarbital (CED0000869)

Record Information

Version

1.0

Creation Date

2009-07-21 20:26:33 UTC

Update Date

2026-05-14 16:25:20 UTC

SynCED ID

CED0000869

Secondary Accession Numbers

CHEM002166
T3D2745

Identification

Common Name

Pentobarbital

Class

Small Molecule

Description

Pentobarbital belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. This exogenous organic compound has the formula C11H18N2O3 and an average molecular weight of 226.27 g/mol. At room temperature, it exists as a solid. It is utilized as a sedative and hypnotic agent, typically administered orally, though it is prescribed more frequently for sleep induction than for sedation. Its effectiveness may decrease by the second week of continued administration. The compound is associated with 14 recorded sources, including healthcare, pharmaceuticals and veterinary products (hypnotics and sedatives), drinking water and water supply, food, food processing and cookware (preparation of wort, food preservation, and fermentation processes for beer), household cleaning and consumer products (tobacco smoke filters, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites), and electrical and electronic equipment (electrodes, magnets, antennas, conductors or conductive bodies characterised by the conductive materials, and electrically stimulated smoking devices). Recorded routes of exposure include oral, intravenous, intramuscular, and rectal administration. Pentobarbital interacts with 30 recorded protein targets, including Gamma-aminobutyric acid receptor subunit alpha-2 (GABRA2), alpha-3 (GABRA3), alpha-4 (GABRA4), and alpha-6 (GABRA6). It acts as an antagonist/positive allosteric modulator of these receptors. Specifically, pentobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration for which the Cl- ionopore remains open. This prolongs the post-synaptic inhibitory effect of GABA in the thalamus and is associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa), resulting in the acute potentiation of inhibitory GABAergic tone.

Contaminant Type

Adjuvant, Anesthesia
Amide
Amine
Barbiturate
Drug
GABA Modulator
Hypnotic and Sedative
Metabolite
Organic Compound
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione	ChEBI
5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione	ChEBI
5-Ethyl-5-(1-methylbutyl)barbituric acid	ChEBI
5-Ethyl-5-(sec-pentyl)barbituric acid	ChEBI
Nembutal	ChEBI
Pentobarbitone	ChEBI
5-Ethyl-5-(1-methylbutyl)barbitate	Generator
5-Ethyl-5-(1-methylbutyl)barbitic acid	Generator
5-Ethyl-5-(sec-pentyl)barbitate	Generator
5-Ethyl-5-(sec-pentyl)barbitic acid	Generator
Pentabarbital	HMDB
Pentabarbitone	HMDB
Pentobarbiturate	HMDB
Pentobarbituric acid	HMDB
Sodium pentobarbital	HMDB
Etaminal	MeSH, HMDB
Ethaminal	MeSH, HMDB
Pentobarbital sodium	MeSH, HMDB
Sagatal	MeSH, HMDB
Diabutal	MeSH, HMDB
Pentobarbital, monosodium salt	MeSH, HMDB
Mebubarbital	MeSH, HMDB
Mebumal	MeSH, HMDB
Monosodium salt pentobarbital	MeSH, HMDB

Chemical Formula

C₁₁H₁₈N₂O₃

Average Molecular Mass

226.272 g/mol

Monoisotopic Mass

226.132 g/mol

CAS Registry Number

76-74-4

IUPAC Name

5-ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione

Traditional Name

pentobarbital

SMILES

CCCC(C)C1(CC)C(=O)NC(=O)NC1=O

InChI Identifier

InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

InChI Key

WEXRUCMBJFQVBZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyrimidines and pyrimidine derivatives

Direct Parent

Pyrimidones

Alternative Parents

Substituents

Pyrimidone
Hydropyrimidine
2,5-dihydropyrimidine
Carbonic acid derivative
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Azacycle
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

barbiturates (CHEBI:7983 )

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

anaesthetic (PMC9334742 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	129.5°C
Boiling Point	Not Available
Solubility	679 mg/L (at 25°C)

Predicted Properties

Property	Value	Source
Water Solubility	0.86 g/L	ALOGPS
logP	2.16	ALOGPS
logP	1.89	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	8.48	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.27 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	58 m³·mol⁻¹	ChemAxon
Polarizability	23.41 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-004i-0090000000-0f97406e79f836abc074	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0a4l-5900000000-08245bcc95f52792c863	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-004i-0090000000-0f97406e79f836abc074	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0a4l-5900000000-08245bcc95f52792c863	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-01xy-9720000000-ebfd954ba228514ca347	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	splash10-004i-1290000000-90bfbd79bea4fe2b007b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0bti-1900000000-7e31dcdb272669c13101	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01bc-9100000000-c9fe8276b8137dc73d20	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-3980000000-84ea889a0fae4bed224b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9500000000-c226fe2dfb4ee13e4ae8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000x-9500000000-cd4190b9c110ee5e4428	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0930000000-ce337224a05a5827ddf4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1910000000-61c3bd30210f2bd15034	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0aos-6900000000-cd89b663334e7901acd1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-1390000000-b300ae41f3e7623fa882	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-b2af88d76179b3402570	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9300000000-99ecf1568fa04b732c33	Not Available	View Spectrum
MS	MS Spectrum	splash10-0a4l-6900000000-a65d8c67e006ad448814	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
255.0 Log mg/kg [140:450]	Rat	LD50	oral	predicted	Not Available	Not Available
40.0 mg/kg-day	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Pentobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission.

Carcinogenicity (IARC Classification)

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

Minimum Risk Level

Not Available

Symptoms

Symptoms of an overdose typically include sluggishness, incoordination, difficulty in thinking, slowness of speech, faulty judgment, drowsiness or coma, shallow breathing, staggering, and in severe cases coma and death.

Treatment

Treatment of overdosage is mainly supportive and consists of maintaining an adequate airway, with assisted respiration and oxygen administration as necessary, monitoring of vital signs and fluid balance, and fluid therapy and other standard treatment for shock, if needed. If renal function is normal, forced diuresis may aid in the elimination of the barbiturate. Alkalinization of the urine increases renal excretion of some barbiturates, especially phenobarbital, also aprobarbital and mephobarbital (which is metabolized to phenobarbital). Although not recommended as a routine procedure, hemodialysis may be used in severe barbiturate intoxications or if the patient is anuric or in shock. The patient should be rolled from side to side every 30 minutes and antibiotics should be given if pneumonia is suspected. Appropriate nursing care to prevent hypostatic pneumonia, decubiti, aspiration, and other complications of patients with altered states of consciousness. (3)

Health Effects

Health Effect	Relationship	Direction	Description	Reference
seizure	Not Available	Not Available	Not Available	PMC7322764
cardiac arrest	Associated With?	Not Available	A congestive heart failure characterized by a sudden stop in effective blood circulation due to the failure of the heart to contract effectively or at all.	PMC7642011
Mortality	Associated With?	Not Available	Not Available	PMC4358825
Death	Associated With?	Not Available	Not Available	PMC7642011

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
CEDs000233	Brushes?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 & cosmetics	PubChem
CEDs000376	Hypnotics and sedatives?Hypnotics and sedatives are synthetic chemicals primarily used to induce sleep, reduce anxiety, and manage various psychiatric disorders.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	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
CEDs000518	Electrically 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 Equipment	PubChem
CEDs000519	Electrodes?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 Equipment	PubChem
CEDs000527	Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.	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
CEDs000550	Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.	Food, food processing & cookware	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000559	Non 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 products	PubChem
CEDs000560	Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.	Household cleaning & consumer products	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000578	Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.	Industrial manufacturing & chemical processing	PubChem
CEDs000580	Manufacture 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 processing	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
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
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun 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 & 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
CEDs000613	Depilatories?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 & 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
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000650	Purses 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 & furnishings	PubChem
CEDs000651	Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.	Textiles, leather & furnishings	PubChem
CEDs000653	Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.	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
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
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000689	Glass Fibres?Glass fibres are composed of fine strands of glass, commonly utilized for their tensile strength and lightweight properties.	Building & Construction	PubChem
CEDs000692	Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.	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
CEDs000729	Stamps?Stamps, particularly those produced using synthetic inks and adhesives, can contribute to chemical contamination when disposed of improperly.	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
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
CEDs000742	Leather 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 & furnishings	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

Pathways

3 pathwaysPathway Source: PathBank

Pentobarbital Action Pathway

Pentobarbital Drug Metabolism Action Pathway

Pentobarbital Predicted Metabolism Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.235 Low confidence Statistical Significance 0.3429 Supporting Reference Compounds 198 E-value 2669.29
Click to view 3D structure	A disintegrin and metalloproteinase with thrombospondin motifs 5	Q9UNA0	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.217 Low confidence Statistical Significance 0.2494 Supporting Reference Compounds 79 E-value 1941.64
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.217 Low confidence Statistical Significance 0.6063 Supporting Reference Compounds 400 E-value 4719.92
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.207 Low confidence Statistical Significance 0.5608 Supporting Reference Compounds 269 E-value 4366.17
Click to view 3D structure	Disintegrin and metalloproteinase domain-containing protein 17	P78536	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.217 Low confidence Statistical Significance 0.5094 Supporting Reference Compounds 166 E-value 3965.41
Click to view 3D structure	A disintegrin and metalloproteinase with thrombospondin motifs 4	O75173	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.207 Low confidence Statistical Significance 0.3319 Supporting Reference Compounds 79 E-value 2583.82
Click to view 3D structure	Macrophage metalloelastase	P39900	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.197 Low confidence Statistical Significance 0.5029 Supporting Reference Compounds 136 E-value 3915.27
Click to view 3D structure	Adenosine receptor A1	P47745	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.204 Low confidence Statistical Significance 0.0429 Supporting Reference Compounds 38 E-value 333.662
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.191 Low confidence Statistical Significance 0.6176 Supporting Reference Compounds 187 E-value 4808.28
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.191 Low confidence Statistical Significance 0.5225 Supporting Reference Compounds 221 E-value 4067.31
Click to view 3D structure	Toll-like receptor 7	B3Y652	Macaca fascicularis	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.0104 Supporting Reference Compounds 1 E-value 81.3524
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.194 Low confidence Statistical Significance 0.6868 Supporting Reference Compounds 200 E-value 5346.61
Click to view 3D structure	Adenosine receptor A2a	P46616	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.191 Low confidence Statistical Significance 0.0624 Supporting Reference Compounds 27 E-value 485.623
Click to view 3D structure	ADAM metallopeptidase with thrombospondin type 1 motif 4	A0A8C0SKI4	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.194 Low confidence Statistical Significance 0.0547 Supporting Reference Compounds 3 E-value 425.68
Click to view 3D structure	Alkaline ceramidase 2	Q5QJU3	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.176 Low confidence Statistical Significance 0.0904 Supporting Reference Compounds 1 E-value 703.991
Click to view 3D structure	HTH-type quorum-sensing regulator RhlR	P54292	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.176 Low confidence Statistical Significance 0.0155 Supporting Reference Compounds 1 E-value 120.744
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 0.0085 Supporting Reference Compounds 1 E-value 66.5611
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.205 Low confidence Statistical Significance 0.0662 Supporting Reference Compounds 15 E-value 515.206
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.194 Low confidence Statistical Significance 0.6826 Supporting Reference Compounds 176 E-value 5314.07
Click to view 3D structure	A disintegrin-like and metallopeptidase (Reprolysin type) with thrombospondin type 1 motif, 5 (Aggrecanase-2)	G3V673	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.194 Low confidence Statistical Significance 0.0591 Supporting Reference Compounds 5 E-value 460.167
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.177 Low confidence Statistical Significance 0.8774 Supporting Reference Compounds 258 E-value 6830.18
Click to view 3D structure	Transcriptional activator protein LasR	P25084	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.18 Low confidence Statistical Significance 0.0377 Supporting Reference Compounds 12 E-value 293.725
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.191 Low confidence Statistical Significance 0.8961 Supporting Reference Compounds 303 E-value 6976.07
Click to view 3D structure	A disintegrin and metalloproteinase with thrombospondin motifs 1	Q9UHI8	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.207 Low confidence Statistical Significance 0.271 Supporting Reference Compounds 13 E-value 2109.56
Click to view 3D structure	Hydroxycarboxylic acid receptor 2	Q8TDS4	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.2 Low confidence Statistical Significance 0.1201 Supporting Reference Compounds 21 E-value 934.891
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-1	P14867	Humans	Known	Pentobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission.
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-4	P43681	Humans	Known	Not Available
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Known	Not Available
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-2	P47869	Humans	Known	Not Available
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-3	P34903	Humans	Known	Not Available
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-5	P31644	Humans	Known	Not Available
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-6	Q16445	Humans	Known	Not Available
Click to view 3D structure	Glutamate receptor 2	P42262	Humans	Known	Not Available
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	Q13002	Humans	Known	Not Available
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-4	P48169	Humans	Known	Not Available
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit beta-3	P28472	Humans	Known	Not Available
Click to view 3D structure	Histamine H1 receptor	P35367	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	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Known	Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB00312

HMDB ID

HMDB0259667

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

Pentobarbital

Chemspider ID

4575

ChEBI ID

7983

PubChem Compound ID

Not Available

Kegg Compound ID

C07422

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Link

General References

Knodell RG, Spector MH, Brooks DA, Keller FX, Kyner WT: Alterations in pentobarbital pharmacokinetics in response to parenteral and enteral alimentation in the rat. Gastroenterology. 1980 Dec;79(6):1211-6. [PubMed: 6777235]
Drugs.com - http://www.drugs.com/MTM/pentobarbital.html
RxList: The Internet Drug Index (2009). - http://www.rxlist.com/

Pentobarbital (CED0000869)

Structure for CHEM002166: Pentobarbital

Structure