Iopromide (CED0005194)

Record Information
Version1.0
Creation Date2016-05-22 03:42:01 UTC
Update Date2026-08-20 00:59:49 UTC
SynCED IDCED0005194
Secondary Accession Numbers
  • CHEM016738
Identification
Common NameIopromide
ClassSmall Molecule
Description
Iopromide is a chemical compound with the molecular formula C18H24I3N3O8. Iopromide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 791.11 g/mol, Iopromide is a heavy molecule. The compound is found in or released from 11 recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is utilized as iodinated X-ray contrast media. Other sources include food preservation in food, food processing, and cookware, as well as drinking water and water supply. It is also associated with household cleaning and consumer products, specifically tobacco smoke filters, soap detergents, non-electric simulated smoking devices, and cigar cigarettes. Additionally, it is found in electrical and electronic equipment, including electrodes, electrically stimulated smoking devices, and antennas, conductors, or conductive bodies characterized by the conductive materials. Recorded exposure routes for the compound include oral, intravenous, intravascular, and intra-arterial administration.
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
IopromidaChEBI
IopromidumChEBI
N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N-methylisophthalamideChEBI
UltravistChEBI
ProscopeKegg
LopromidHMDB
ClarografHMDB
Ultravist 300HMDB
IopromidHMDB
Chemical FormulaC18H24I3N3O8
Average Molecular Mass791.112 g/mol
Monoisotopic Mass790.870 g/mol
CAS Registry Number73334-07-3
IUPAC NameN-(2,3-dihydroxypropyl)-3-[(2,3-dihydroxypropyl)(methyl)carbamoyl]-5-[(1-hydroxy-2-methoxyethylidene)amino]-2,4,6-triiodobenzene-1-carboximidic acid
Traditional Nameproscope
SMILESCOCC(O)=NC1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(=O)N(C)CC(O)CO)=C1I
InChI IdentifierInChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)
InChI KeyDGAIEPBNLOQYER-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct Parent4-halobenzoic acids and derivatives
Alternative Parents
Substituents
  • 4-halobenzoic acid or derivatives
  • 2-halobenzoic acid or derivatives
  • Benzamide
  • Benzoyl
  • Halobenzene
  • Iodobenzene
  • Aryl halide
  • Aryl iodide
  • Vinylogous halide
  • Tertiary carboxylic acid amide
  • Carboxamide group
  • Secondary alcohol
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid derivative
  • Dialkyl ether
  • Ether
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Organohalogen compound
  • Organoiodide
  • Organonitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.092 g/LALOGPS
logP-1ALOGPS
logP1.1ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)4.23ChemAxon
pKa (Strongest Basic)2.19ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area175.64 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity146.1 m³·mol⁻¹ChemAxon
Polarizability57.65 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0aor-3000009800-d4eb7c00f7ef4e3c3adaNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0000141900-d1cdbb1581082c3c638aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0010081900-484ea8ffab12f96d512eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0019760000-3dc5bf91bdb47815fee9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014j-0059200000-047e7c4128fbfd6816aeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014j-0397000000-8b00b54a00693ed16a30Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01bd-2972000000-0565b4327c485775e9e7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ftr-5930000000-4a161f4b926d1da7163fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-0000081900-4b5238662a76892280cbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0019760000-c5512d68987f36b4b08eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014j-0069200000-62d759cca8eecea14e65Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014j-0297000000-f4e7a88b722caf35d20dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014m-1892000000-99c1943fa38d86cc5f25Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0000041900-31808f9ea15ef7e148c0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0019760000-3dc5bf91bdb47815fee9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-0000081900-4b5238662a76892280cbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-0010081900-484ea8ffab12f96d512eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0000041900-5d3e269006c6ded0e39fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0019760000-c5512d68987f36b4b08eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0000041900-1e314766cccb8cf739d3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kf-2000001900-d089a3f404ab2418c54fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00fu-6000004900-c670873d53deabb24d02Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056r-3000009100-097a0d506de7b27f6429Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-2000001900-e879a23cf701a7a9851aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05ac-6400003900-e5414049f5dce3c39495Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000f-9100005000-297f8be20ef73659c499Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-1100000900-2c2aed605832a7435a27Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0g4m-2100003900-2d9db7c5c903d3fb3399Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a7j-4000009600-0f0d4fbe9ab16a16f80cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0000006900-86e9d2d96d559910f878Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06r2-2000018900-5a28fa58aee1d76adcbcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-4000019200-f018dafe997e612ae236Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
6201.0 Log mg/kg [3500:11000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC7252249
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000417X-ray contrast media, iodinated?Iodinated X-ray contrast media are synthetic chemical compounds used to enhance the visibility of internal structures during radiographic imaging procedures.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC11328081
CEDs000482WWTP influent?WWTP influent refers to the raw wastewater entering a wastewater treatment plant, which can contain a complex mixture of pollutants, including synthetic chemicals.Wastewater, sanitation & biosolidsPMC12963271
CEDs000484Activated sludge?Activated sludge refers to a mixture of microorganisms and organic matter used in the biological treatment of wastewater.Wastewater, sanitation & biosolidsPMC9822505 , PMC12899356
CEDs000506Antennas?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 EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000569Tobacco 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 productsPubChem
CEDs000578Making 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 processingPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes 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 & AerospacePubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000692Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs02255WaterAquatic systems & sedimentsPMC7916394 , PMC8588147
CEDs02270RiverAquatic systems & sedimentsPMC7252249
CEDs02458Rhine RiverAquatic systems & sedimentsPMC12899356
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC7916394 , PMC10376923
CEDs03045Hospital EffluentsWastewater, sanitation & biosolidsPMC8789570
CEDs03046Hospital EffluentWastewater, sanitation & biosolidsPMC8789570
CEDs03061WWTPWastewater, sanitation & biosolidsPMC12963271 , PMC12963271
CEDs03079Secondary EffluentWastewater, sanitation & biosolidsPMC7345651
Pathways
2 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureG protein-activated inward rectifier potassium channel 1P48549HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.176 Low confidence
Statistical Significance
0.0106
Supporting Reference Compounds
1
E-value
82.9094
Dual specificity mitogen-activated protein kinase kinase 1 structureClick to view 3D structureDual specificity mitogen-activated protein kinase kinase 1Q02750HumansPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9738
Supporting Reference Compounds
391
E-value
7580.65
Dual specificity mitogen-activated protein kinase kinase 2 structureClick to view 3D structureDual specificity mitogen-activated protein kinase kinase 2P36507HumansPredicted (SEA)
Prediction Confidence Score
0.155
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9648
Supporting Reference Compounds
279
E-value
7510.74
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)
Prediction Confidence Score
0.152
Applicability Domain
0.165 Low confidence
Statistical Significance
0.926
Supporting Reference Compounds
173
E-value
7208.84
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)
Prediction Confidence Score
0.152
Applicability Domain
0.165 Low confidence
Statistical Significance
0.9347
Supporting Reference Compounds
167
E-value
7276.49
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.162 Low confidence
Statistical Significance
0.9958
Supporting Reference Compounds
1130
E-value
7752.15
Click to view 3D structureTerminal nucleotidyltransferase 4BQ8NDF8HumansPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.151 Low confidence
Statistical Significance
0.205
Supporting Reference Compounds
1
E-value
1595.91
Click to view 3D structureTerminal nucleotidyltransferase 4AQ5XG87HumansPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.151 Low confidence
Statistical Significance
0.205
Supporting Reference Compounds
1
E-value
1595.91
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.159 Low confidence
Statistical Significance
0.9726
Supporting Reference Compounds
400
E-value
7571.93
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.169 Low confidence
Statistical Significance
0.8998
Supporting Reference Compounds
109
E-value
7004.72
Click to view 3D structurePantothenate kinase, putativeQ8ILP4Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.15 Low confidence
Statistical Significance
0.2167
Supporting Reference Compounds
1
E-value
1686.91
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.165 Low confidence
Statistical Significance
0.9845
Supporting Reference Compounds
406
E-value
7664.57
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.165 Low confidence
Statistical Significance
0.9481
Supporting Reference Compounds
201
E-value
7380.57
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.152 Low confidence
Statistical Significance
0.9978
Supporting Reference Compounds
1538
E-value
7767.95
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.155 Low confidence
Statistical Significance
0.9968
Supporting Reference Compounds
1245
E-value
7759.85
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.159 Low confidence
Statistical Significance
0.9576
Supporting Reference Compounds
258
E-value
7455.0
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.165 Low confidence
Statistical Significance
0.9644
Supporting Reference Compounds
234
E-value
7508.17
Renin structureClick to view 3D structureReninP00797HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.16 Low confidence
Statistical Significance
0.7813
Supporting Reference Compounds
59
E-value
6082.59
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.165 Low confidence
Statistical Significance
0.9416
Supporting Reference Compounds
141
E-value
7330.67
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.159 Low confidence
Statistical Significance
0.9928
Supporting Reference Compounds
1158
E-value
7729.1
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P48029HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.148 Low confidence
Statistical Significance
0.0069
Supporting Reference Compounds
1
E-value
53.8717
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.149 Low confidence
Statistical Significance
0.9911
Supporting Reference Compounds
506
E-value
7715.71
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.147
Applicability Domain
0.149 Low confidence
Statistical Significance
0.9928
Supporting Reference Compounds
593
E-value
7728.64
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)
Prediction Confidence Score
0.147
Applicability Domain
0.159 Low confidence
Statistical Significance
0.9192
Supporting Reference Compounds
176
E-value
7155.74
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.147
Applicability Domain
0.16 Low confidence
Statistical Significance
0.9948
Supporting Reference Compounds
955
E-value
7744.44
Concentrations
Not Available
External Links
DrugBank IDDB09156
HMDB IDHMDB0041910
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkIopromide
Chemspider ID3605
ChEBI ID63578
PubChem Compound ID3736
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available