Diphenoxylate (CED0006919)

Record Information

Version

1.0

Creation Date

2009-07-21 20:28:19 UTC

Update Date

2026-05-14 16:57:39 UTC

SynCED ID

CED0006919

Secondary Accession Numbers

CHEM002340
T3D2978

Identification

Common Name

Diphenoxylate

Class

Small Molecule

Description

Diphenoxylate is an exogenous organic compound with the formula C30H32N2O2 and an average molecular weight of 452.59 g/mol. It exists as a solid at room temperature. Diphenoxylate belongs to the diphenylacetonitriles, a subclass of benzene and substituted derivatives within the organic compounds. This compound is used as an antidiarrhoeal drug and is administered via the oral exposure route. It is recorded as being found in or released from several sources, including healthcare, pharmaceuticals and veterinary products as an antipropulsive; food, food processing and cookware, specifically in the preparation of vinegar and the preparation of wine or sparkling wine; household cleaning and consumer products, including other smoking requisites, tobacco smoke filters and non electric simulated smoking devices; and electrical and electronic equipment, including antennas, auxiliary devices, electrically stimulated smoking devices, radio transmission systems and hybrid capacitors. The compound acts on three recorded protein targets: the delta-type opioid receptor (OPRD1), the potassium voltage-gated channel subfamily A member 3 (KCNA3), and the mu-type opioid receptor (OPRM1). As an opiate receptor agonist, diphenoxylate stimulates mu receptors in the gastrointestinal tract to constrict the sphincters and decrease peristalsis. It also exerts a direct effect on the circular smooth muscle of the bowel, which may result in segmentation and the prolongation of gastrointestinal transit time. The clinical antidiarrheal action of diphenoxylate may be a consequence of this enhanced segmentation, which allows for increased contact of the intraluminal contents with the intestinal mucosa.

Contaminant Type

Amine
Analgesic, Opioid
Antidiarrheal
Antiperistaltic Agent
Drug
Ester
Ether
Food Toxin
Metabolite
Narcotic
Nitrile
Organic Compound
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester	ChEBI
2,2-Diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile	ChEBI
4-Ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile	ChEBI
Difenoxilato	ChEBI
Diphenoxylatum	ChEBI
Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate	ChEBI
Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate	ChEBI
1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotate ethyl ester	Generator
4-Ethoxycarbonyl-a,a,4-triphenyl-1-piperidinebutyronitrile	Generator
4-Ethoxycarbonyl-α,α,4-triphenyl-1-piperidinebutyronitrile	Generator
Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid	Generator
Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid	Generator
Diphenoxylic acid	Generator
Dea no. 9170	HMDB
Difenossilato	HMDB
Diphenoxalate	HMDB
Diphenoxylate monohydrochloride	HMDB
Monohydrochloride, diphenoxylate	HMDB
Hydrochloride, diphenoxylate	HMDB
Diphenoxylate hydrochloride	HMDB

Chemical Formula

C₃₀H₃₂N₂O₂

Average Molecular Mass

452.587 g/mol

Monoisotopic Mass

452.246 g/mol

CAS Registry Number

915-30-0

IUPAC Name

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate

Traditional Name

diphenoxylate

SMILES

CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3

InChI Key

HYPPXZBJBPSRLK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylacetonitriles

Direct Parent

Diphenylacetonitriles

Alternative Parents

Substituents

Diphenylacetonitrile
Diphenylmethane
Phenylpiperidine
Piperidinecarboxylic acid
Aralkylamine
Piperidine
Amino acid or derivatives
Carboxylic acid ester
Tertiary amine
Tertiary aliphatic amine
Nitrile
Carbonitrile
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organoheterocyclic compound
Azacycle
Hydrocarbon derivative
Organic oxide
Amine
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Organopnictogen compound
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

ethyl ester (CHEBI:4639 )
tertiary amine (CHEBI:4639 )
nitrile (CHEBI:4639 )
piperidinecarboxylate ester (CHEBI:4639 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Membrane

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

antidiarrhoeal drug

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	220.5-222°C
Boiling Point	Not Available
Solubility	800 mg/L (at 25°C)

Predicted Properties

Property	Value	Source
Water Solubility	0.0015 g/L	ALOGPS
logP	5.74	ALOGPS
logP	5.88	ChemAxon
logS	-5.5	ALOGPS
pKa (Strongest Basic)	8.5	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	53.33 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	146.76 m³·mol⁻¹	ChemAxon
Polarizability	51.58 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-0002-6591000000-e04da61bbde263b104e3	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0002-6591000000-e04da61bbde263b104e3	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-004i-1129000000-033454565afde0495c58	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
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0000900000-e2841fe11576faaa404e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0000900000-f16aa8a859221ed0173c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0220900000-38d21080081c6d144498	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ap0-2920000000-ed4957b090e4b3a6f38d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0aor-2900000000-becb90ead622a0131fdb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0210900000-f33819852c9168d0f8a0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ap0-2930000000-27b1d68dee5988eaa135	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0220900000-eb48236d047d8482c9db	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0000900000-e2841fe11576faaa404e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0000900000-f16aa8a859221ed0173c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ufr-1222900000-c125937f2ff362112070	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0aor-2900000000-b973c5ffabd9b4d287ca	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0aor-2900000000-5fa40194a7aea2fbeaff	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0udi-0220900000-38d21080081c6d144498	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ap0-2920000000-ed4957b090e4b3a6f38d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0aor-2900000000-becb90ead622a0131fdb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ap0-2930000000-315293eb975bc2a18e68	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0011900000-4f997e63c9c65b9c3cf3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05g0-0344900000-56fc8f46c973ef960e51	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0971000000-b83c6e7e52cb3ee497b0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0000900000-ec078fed32982bfba96e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ufr-2343900000-eaa7ee09954f3184115d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-116u-3941000000-217be57f7c4a4f20f18a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0003900000-ed80455eb1b0d171468d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ugi-0009100000-945c8f0ee309cb0cc7df	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fc3-0649200000-7f0e90bee00ee80d77f4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0000900000-1c02c22b314763f70e51	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0uk9-1004900000-e703dc1aa283dd4ff469	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002e-1119100000-17c21210828e5cd8020f	Not Available	View Spectrum
MS	MS Spectrum	splash10-0002-2390000000-0d133bb29f340639db02	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
267.0 Log mg/kg [150:470]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Diphenoxylate is an opiate receptor agonists that stimulate mu receptors in GI to decrease the peristalsis and constrict the sphincters. Diphenoxylate has a direct effect on circular smooth muscle of the bowel, that conceivably results in segmentation and prolongation of gastrointestinal transit time. The clinical antidiarrheal action of diphenoxylate may thus be a consequence of enhanced segmentation that allows increased contact of the intraluminal contents with the intestinal mucosa.

Carcinogenicity (IARC Classification)

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

Minimum Risk Level

Not Available

Symptoms

Coma, dry skin and mucous membranes, enlarged pupils of the eyes, extremely high body temperature, flushing, involuntary eyeball movement, lower than normal muscle tone, pinpoint pupils, rapid heartbeat, restlessness, sluggishness, suppressed breathing

Treatment

In the event of overdose, induction of vomiting, gastric lavage, establishment of a patent airway, and possibly mechanically assisted respiration are advised. in vitro and animal studies indicate that activated charcoal may significantly decrease the bioavailability of diphenoxylate. In noncomatose patients, a slurry of 100 g of activated charcoal can be administered immediately after the induction of vomiting or gastric lavage. A pure narcotic antagonist (eg, naloxone) should be used in the treatment of respiratory depression caused by Lomotil. When a narcotic antagonist is administered intravenously, the onset of action is generally apparent within two minutes. It may also be administered subcutaneously or intramuscularly, providing a slightly less rapid onset of action but a more prolonged effect. (2)

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
CEDs000257	Antipropulsives?Antipropulsives are synthetic chemicals used to inhibit or reduce unwanted muscle contractions, particularly in the gastrointestinal tract.	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
CEDs000507	Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.	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
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
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
CEDs000548	Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.	Food, food processing & cookware	PubChem
CEDs000549	Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.	Food, food processing & cookware	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
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
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
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
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
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
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
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
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
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
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	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
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

Pathways

3 pathwaysPathway Source: PathBank

Diphenoxylate Action Pathway

Diphenoxylate Opioid Agonist Action Pathway

Diphenoxylate Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.621 Applicability Domain 1.0 Statistical Significance 0.002 Supporting Reference Compounds 527 E-value 15.8034
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.489 Applicability Domain 0.608 Statistical Significance 0.0027 Supporting Reference Compounds 297 E-value 20.7079
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.443 Applicability Domain 0.596 Statistical Significance 0.0024 Supporting Reference Compounds 203 E-value 19.0731
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.415 Applicability Domain 0.608 Statistical Significance 0.0183 Supporting Reference Compounds 532 E-value 142.62
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.415 Applicability Domain 0.608 Statistical Significance 0.0202 Supporting Reference Compounds 427 E-value 157.411
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.405 Applicability Domain 0.435 Statistical Significance 0.0111 Supporting Reference Compounds 562 E-value 86.1791
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.384 Applicability Domain 0.608 Statistical Significance 0.0378 Supporting Reference Compounds 1498 E-value 294.426
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.368 Applicability Domain 0.435 Statistical Significance 0.0055 Supporting Reference Compounds 207 E-value 43.1285
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.365 Applicability Domain 0.415 Statistical Significance 0.0018 Supporting Reference Compounds 109 E-value 13.8572
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.359 Applicability Domain 0.608 Statistical Significance 0.0258 Supporting Reference Compounds 186 E-value 200.929
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.415 Statistical Significance 0.0133 Supporting Reference Compounds 376 E-value 103.539
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.415 Statistical Significance 0.0095 Supporting Reference Compounds 298 E-value 73.6454
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.415 Statistical Significance 0.0114 Supporting Reference Compounds 365 E-value 88.5924
Click to view 3D structure	Potassium voltage-gated channel subfamily A member 3	P22001	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 1.0 Statistical Significance 2.60e-04 Supporting Reference Compounds 19 E-value 2.02408
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.429 Statistical Significance 0.0173 Supporting Reference Compounds 229 E-value 134.913
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 0.377 Statistical Significance 0.0086 Supporting Reference Compounds 256 E-value 66.6389
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.34 Applicability Domain 0.393 Statistical Significance 0.0281 Supporting Reference Compounds 528 E-value 219.068
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.377 Statistical Significance 0.0274 Supporting Reference Compounds 524 E-value 213.151
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.337 Applicability Domain 0.377 Statistical Significance 0.0251 Supporting Reference Compounds 593 E-value 195.557
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 0.403 Statistical Significance 0.0024 Supporting Reference Compounds 98 E-value 18.9174
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.377 Statistical Significance 0.0189 Supporting Reference Compounds 487 E-value 146.979
Click to view 3D structure	CXXC-type zinc finger protein 5	Q7LFL8	Humans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 1.20e-04 Supporting Reference Compounds 1 E-value 0.934191
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.329 Applicability Domain 0.371 Statistical Significance 0.018 Supporting Reference Compounds 308 E-value 139.817
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.377 Statistical Significance 0.0288 Supporting Reference Compounds 507 E-value 224.517
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.369 Statistical Significance 0.0158 Supporting Reference Compounds 385 E-value 123.235
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Known	Not Available
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Known	Diphenoxylate is an opiate receptor agonists that stimulate mu receptors in GI to decrease the peristalsis and constrict the sphincters. Diphenoxylate has a direct effect on circular smooth muscle of the bowel, that conceivably results in segmentation and prolongation of gastrointestinal transit time. The clinical antidiarrheal action of diphenoxylate may thus be a consequence of enhanced segmentation that allows increased contact of the intraluminal contents with the intestinal mucosa.
Click to view 3D structure	Potassium voltage-gated channel subfamily A member 3	P22001	Humans	Known	Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB01081

HMDB ID

HMDB0015213

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

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Janssen, P.A.J.; U.S.Patent 2,898,340; August 4,1959.
Dryden, H.L. Jr. and Erickson, R.A.; U.S. Patent 4,086,234; April 25,1978; assigned to
G.D.Searle & Co.

MSDS

Link

General References

Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M: DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6. Epub 2007 Nov 29. [PubMed: 18048412]
RxList: The Internet Drug Index (2009). - http://www.rxlist.com/

Diphenoxylate (CED0006919)

Structure for CHEM002340: Diphenoxylate

Structure