Amantadine (CED0002415)

Record Information
Version1.0
Creation Date2009-07-05 03:00:16 UTC
Update Date2026-05-14 16:52:42 UTC
SynCED IDCED0002415
Secondary Accession Numbers
  • CHEM002086
  • T3D2560
Identification
Common NameAmantadine
ClassSmall Molecule
Description
Amantadine (C10H17N) is an exogenous organic compound with an average molecular weight of 151.25 g/mol. It exists as a solid at room temperature. Amantadine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound is used as a drug, antiviral drug, antiparkinson drug, dopaminergic agent, analgesic, and non-narcotic analgesic (PMC11889636 ). Biologically, it functions as an NMDA receptor antagonist (PMC11889636 ). Its recorded protein targets include the D(2) dopamine receptor (DRD2), the D(1A) dopamine receptor (DRD1), the Solute carrier family 22 member 2 (SLC22A2), the Multidrug and toxin extrusion protein 1 (SLC47A1), and the Matrix protein 2 and 3 other proteins. Additionally, it acts as an antagonist/inhibitor of the Glutamate receptor ionotropic, NMDA 3A (GRIN3A). Regarding its mechanisms, the antiviral effect involves interference with the M2 viral protein ion channel, which is necessary for the viral particle to become "uncoated" after entering a cell via endocytosis. The antiparkinsonic effect is not fully understood, but it appears to stimulate norepinephrine response and release dopamine from the nerve endings of brain cells. Amantadine has been found in 45 recorded sources, including drinking water, tap water, bottled water, and desalinated water; aquatic systems such as groundwater, surface water, seawater, and freshwater; and wastewater, sanitation, and biosolids (industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater). It is also found in food processing, such as food preservation, processing meats, and fermentation processes for beer, as well as in household cleaning and consumer products and electrical and electronic equipment. Recorded exposure routes include oral, inhalation, topical, and touch.
Contaminant Type
  • Amine
  • Analgesic, Non-Narcotic
  • Antiparkinson Agent
  • Antiviral Agent
  • Dopamine Agent
  • Drug
  • Human Neurotoxin
  • Metabolite
  • Organic Compound
  • PMT
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
1-AdamantanamineChEBI
1-AdamantylamineChEBI
1-AminoadamantaneChEBI
AmantadinaChEBI
AmantadinumChEBI
AmantidineChEBI
AminoadamantaneChEBI
Tricyclo[3.3.1.1(3,7)]decan-1-amineChEBI
Tricyclo[3.3.1.1(3,7)]decan-1-ylamineChEBI
Tricyclo[3.3.1.1(3,7)]decane-1-amineChEBI
ViregytChEBI
VirosolChEBI
AdamantamineHMDB
AdamantanamineHMDB
AdamantylamineHMDB
Amantadine baseHMDB
Amantadine HCLHMDB
Amantadine hydrochlorideHMDB
AL, amantadinHMDB
AdekinHMDB
Alliance brand OF amantadine hydrochlorideHMDB
AmanHMDB
Amanta-sulfate-azuHMDB
AmantaHCIAZUHMDB
Amantadin alHMDB
Amantadin neuraxpharmHMDB
Amantadin ratiopharmHMDB
Amantadin-neuraxpharmHMDB
Amantadina juventusHMDB
AmantadinratiopharmHMDB
Desitin brand OF amantadine hydrochlorideHMDB
Infecto-fluHMDB
Krewel brand OF amantadine hydrochlorideHMDB
Merz brand OF amantadine sulfateHMDB
Novartis brand OF amantadine hydrochlorideHMDB
PMSAmantadineHMDB
Solvay brand OF amantadine hydrochlorideHMDB
Stada brand OF amantadine hydrochlorideHMDB
SymmetrelHMDB
TregorHMDB
AbZ brand OF amantadine hydrochlorideHMDB
Aliud brand OF amantadine sulfateHMDB
Amanta-hci-azuHMDB
Amantadina llorenteHMDB
Azupharma brand OF amantadine hydrochlorideHMDB
Azupharma brand OF amantadine sulfateHMDB
CerebramedHMDB
Gen amantadineHMDB
GenAmantadineHMDB
Hexal brand OF amantadine sulfateHMDB
Infecto fluHMDB
Infectopharm brand OF amantadine hydrochlorideHMDB
Neuro hexal brand OF amantadine sulfateHMDB
PMS-AmantadineHMDB
Pharmascience brand OF amantadine hydrochlorideHMDB
SymadineHMDB
Thiemann brand OF amantadine hydrochlorideHMDB
AZU, amantadinHMDB
AmantaHMDB
Amanta hci azuHMDB
Amantadin stadaHMDB
Amantadin-ratiopharmHMDB
Gen-amantadineHMDB
Genpharm brand OF amantadine hydrochlorideHMDB
Hormosan brand OF amantadine sulfateHMDB
Hydrochloride, amantadineHMDB
Juventus, amantadinaHMDB
MantadixHMDB
Stada brand OF amantadine sulfateHMDB
Stada, amantadinHMDB
Sulfate, amantadineHMDB
1 AminoadamantaneHMDB
Amanta sulfate azuHMDB
AmantasulfateazuHMDB
Amantadin azuHMDB
Amantadine sulfateHMDB
AmantadinneuraxpharmHMDB
AmixxHMDB
Ciba geigy brand OF amantadine hydrochlorideHMDB
Ciba-geigy brand OF amantadine hydrochlorideHMDB
Du pont brand OF amantadine hydrochlorideHMDB
EndantadineHMDB
endo Brand OF amantadine hydrochlorideHMDB
InfectoFluHMDB
InfexHMDB
Juventus brand OF amantadine hydrochlorideHMDB
Llorente brand OF amantadine hydrochlorideHMDB
Llorente, amantadinaHMDB
MidantanHMDB
Orion brand OF amantadine hydrochlorideHMDB
PMS AmantadineHMDB
WiregytHMDB
Neuraxpharm brand OF amantadine sulfateHMDB
Ratiopharm brand OF amantadine hydrochlorideHMDB
Chemical FormulaC10H17N
Average Molecular Mass151.249 g/mol
Monoisotopic Mass151.136 g/mol
CAS Registry Number768-94-5
IUPAC Nameadamantan-1-amine
Traditional Nameamantadine
SMILESNC12CC3CC(CC(C3)C1)C2
InChI IdentifierInChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
InChI KeyDKNWSYNQZKUICI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentMonoalkylamines
Alternative Parents
Substituents
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
Applications
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceHexakistetrahedral crystals by sublimation (4).
Experimental Properties
PropertyValue
Melting Point180-192°C
Boiling PointNot Available
Solubility6290 mg/L (freely soluble)
Predicted Properties
PropertyValueSource
Water Solubility0.085 g/LALOGPS
logP2.53ALOGPS
logP1.47ChemAxon
logS-3.2ALOGPS
pKa (Strongest Basic)10.71ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity45.54 m³·mol⁻¹ChemAxon
Polarizability17.92 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-014i-1910000000-c4908efe87e5cdf2ba74Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014i-1910000000-8b7366cc494bf757bb81Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-01b9-6910000000-e6fd5b29f51169a772e5Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014i-1910000000-c4908efe87e5cdf2ba74Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-014i-1910000000-8b7366cc494bf757bb81Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-01b9-6910000000-e6fd5b29f51169a772e5Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0udi-0900000000-ffe93d952abd2a39e06eNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0900000000-b3511c6e5de6fce544c6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0900000000-ca740a06e33d4850b211Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-f1084780a2940c5afd1bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-a083f7fdcbb679c2996aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-2900000000-496b35f0cfba5aa930edNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-7900000000-e37809d5efe023b0382dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-1a8aac6647f0187ebdf9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-88a4152a7398da21333cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-1900000000-76e73b05fc9ac0bdc170Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002u-9600000000-048cdcfd022184f574b6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004l-9000000000-8bc5ffed5487b0edffafNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-4aa7b04aaac47d693e8dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udr-0900000000-815d4b207b027466d755Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-7ce8af9197b4d35ecffdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-278de51184b1c34ed88fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-1a9620db53d99baf9c05Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-1a9620db53d99baf9c05Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-1900000000-f49f767b2078c543faadNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0900000000-ca740a06e33d4850b211Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-278de51184b1c34ed88fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udr-0900000000-8be6099e540370147d93Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-cf37f4fd5305b6fd68cfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-7ce8af9197b4d35ecffdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-1a9620db53d99baf9c05Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-cf29fdf8ce62088eddcaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-ac81b59315e64e84e488Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-7900000000-e37809d5efe023b0382dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-8db897c5721cc517bda4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udr-5900000000-0fadaa8c1d1b37acd146Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-2900000000-62234acda9d2e52ab8d1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-88943f2842e9c4938622Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-f210c79ad853e771b600Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-0115debc50ddf7463859Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-110f7937f29c3b07dbf1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f79-0900000000-93e6f6cddd8597f2b3d8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-7900000000-b93e3eb080e952de897cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a6r-9000000000-529e6cfc4971022b3565Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004l-9100000000-786ec476250c8ee53656Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-1900000000-a6f9d522d003da713357Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-18f733399d885d9130a0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udr-0900000000-9de5310f392d5fea9404Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udr-0900000000-8549fa2798ea74b6bfe9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0900000000-1bbfc183d3445dfb5be9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-1da79c1934401c0e75b1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-500c2b80938b31be9d7cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-6af1e4d2eb8132df1cf9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udr-0900000000-3dd852b8547498e96b98Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0900000000-cc4efbd06b1fcad04f5dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0900000000-cc4efbd06b1fcad04f5dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-b41798e0e4323c9066e1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-b41798e0e4323c9066e1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-d12265fcf4b5d39fd572Not AvailableView Spectrum
MSMS Spectrumsplash10-0006-9100000000-44ff981fd5fa6c48df97Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
800.0 mg/kg RatLD50OralexperimentalNot AvailableNot Available
700.0 mg/kg MouseLD50OralexperimentalNot AvailableNot Available
774.0 Log mg/kg [440:1400]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityThe mechanism of its antiparkinsonic effect is not fully understood, but it appears to be releasing dopamine from the nerve endings of the brain cells, together with stimulation of norepinephrine response. It also has NMDA receptor antagonistic effects. The antiviral mechanism seems to be unrelated. The drug interferes with a viral protein, M2 (an ion channel), which is needed for the viral particle to become "uncoated" once it is taken inside the cell by endocytosis.
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsDeaths have been reported from overdose with amantadine. The lowest reported acute lethal dose was 2 grams. Drug overdose has resulted in cardiac, respiratory, renal or central nervous system toxicity. Cardiac dysfunction includes arrhythmia, tachycardia and hypertension. Pulmonary edema and respiratory distress (including ARDS) have been reported. Renal dysfunction including increased BUN, decreased creatinine clearance and renal insufficiency can occur. Central nervous system effects that have been reported include insomnia, anxiety, aggressive behavior, hypertonia, hyperkinesia, tremor, confusion, disorientation, depersonalization, fear, delirium, hallucination, psychotic reactions, lethargy, somnolence and coma. Seizures may be exacerbated in patients with prior history of seizure disorders. Hyperthermia has also been observed in cases where a drug overdose has occurred.
TreatmentThere is no specific antidote for an overdose of Amantadine. However, slowly administered intravenous physostigmine in 1 and 2 mg doses in an adult2 at 1- to 2-hour intervals and 0.5 mg doses in a child3 at 5- to 10-minute intervals up to a maximum of 2 mg/hour have been reported to be effective in the control of central nervous system toxicity caused by amantadine hydrochloride. For acute overdosing, general supportive measures should be employed along with immediate gastric lavage or induction of emesis. Fluids should be forced, and if necessary, given intravenously. The pH of the urine has been reported to influence the excretion rate of Amantadine. (3)
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC5891396
myocardial infarctionAssociated With?Not AvailableA disorder characterized by gross necrosis of the myocardium; this is due to an interruption of blood supply to the area. (NCI CTCAE)PMC12903914
Parkinson's diseaseNot AvailableNot AvailableA long-term degenerative disorder of the central nervous system that mainly affects the motor system. The symptoms generally come on slowly over time.PMC10362309
alopeciaAssociated With?Not AvailableA disorder characterized by the partial or complete lack of hair growth.PMC12903914
influenzaNot AvailableNot AvailableA viral infectious disease that results in infection, located in respiratory tract, has material basis in Influenzavirus A, has material basis in Influenzavirus B, or has material basis in Influenzavirus C, which are transmitted by droplet spread of oronasal secretions during coughing, sneezing, or talking from an infected person. It is a highly contagious disease that affects birds and mammals and has symptom chills, has symptom fever, has symptom sore throat, has symptom runny nose, has symptom muscle pains, has symptom severe headache, has symptom cough, and has symptom weakness. (DO)PMC10458903 , PMC8537670
Parkinsonian DisordersNot AvailableNot AvailableNot AvailablePMC9330545
Refractory drug responseAssociated With?Not AvailableNot AvailablePMC11889636
Exposure Sources
Source IDSourceSectorReference
CEDs000003Irrigation water?Irrigation water can serve as a vector for synthetic chemical contamination due to its potential exposure to agricultural inputs such as fertilizers, pesticides, and herbicides.Agriculture & land managementNot Available
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000027Water Coolers?Water coolers can be a source of synthetic chemical contamination due to various materials used in their construction and operation.Appliances, HVAC & refrigerantsNot Available
CEDs000043Water heaters?Water heaters can be a source of synthetic chemical contamination primarily through the materials and coatings used in their construction.Appliances, HVAC & refrigerantsNot Available
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC7598030
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsNot Available
CEDs000052Seawater?Seawater can serve as a significant reservoir for synthetic chemical contamination due to various industrial activities, including shipping, oil drilling, and coastal manufacturing.Aquatic systems & sedimentsNot Available
CEDs000053Freshwater?Freshwater bodies, including rivers, lakes, and reservoirs, can serve as significant sources of synthetic chemical contamination due to various anthropogenic activities.Aquatic systems & sedimentsNot Available
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 infrastructureNot Available
CEDs000088Waterproofing sprays?Waterproofing sprays are synthetic chemical formulations designed to create a protective barrier against moisture on various surfaces, including fabrics, wood, and masonry.Building & ConstructionNot Available
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
CEDs000116Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.Drinking water & water supplyNot Available
CEDs000117Bottled water?Bottled water, while perceived as a safe and convenient alternative to tap water, can be a source of synthetic chemical contamination.Drinking water & water supplyNot Available
CEDs000118Desalinated water?Desalinated water, produced through processes such as reverse osmosis or distillation, is increasingly utilized to meet freshwater demands in various regions.Drinking water & water supplyNot Available
CEDs000181Ballast 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 & aquacultureNot Available
CEDs000182Bilge 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 & aquacultureNot 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
CEDs000373Dopaminergic agents?Dopaminergic agents are compounds that influence the dopamine system, primarily through agonistic or antagonistic actions at dopamine receptors.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000468Industrial wastewater?Industrial wastewater is a byproduct generated during various manufacturing and processing activities, which often contains a complex mixture of organic and inorganic synthetic chemicals.Wastewater, sanitation & biosolidsNot Available
CEDs000470Wastewater treatment effluent?Wastewater treatment effluent is the liquid byproduct discharged from the treatment processes designed to remove contaminants from wastewater.Wastewater, sanitation & biosolidsNot Available
CEDs000475Mine wastewater?Mine wastewater refers to the liquid waste generated during the extraction and processing of minerals.Wastewater, sanitation & biosolidsNot Available
CEDs000477Wastewater, unspecified?Wastewater refers to water that has been adversely affected in quality by anthropogenic influence, typically through domestic, industrial, or agricultural activities.Wastewater, sanitation & biosolidsNot Available
CEDs000483WWTP effluent?Wastewater treatment plant (WWTP) effluent can serve as a significant source of synthetic chemical contamination in the environment.Wastewater, sanitation & biosolidsPMC9943555
CEDs000499Roofs?Roofs can be a significant source of synthetic chemical contamination due to the materials used in their construction and maintenance.Building & ConstructionPubChem
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.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
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.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
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid 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 EquipmentPubChem
CEDs000527Magnets?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 EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000531Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000538Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
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
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
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
CEDs000560Other 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 productsPubChem
CEDs000561Perfumes 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 productsPubChem
CEDs000562Pipe Accessories?Pipe accessories, such as fittings, connectors, and seals, are components used in plumbing systems to facilitate the flow of liquids and gases.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
CEDs000580Manufacture 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 processingPubChem
CEDs000595Ships?Ships, as vehicles for international trade and transportation, can be significant sources of synthetic chemical contamination in marine environments.Marine, shipping & aquaculturePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000602Molluscicides?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 managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
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
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000612Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.Personal care & cosmeticsPubChem
CEDs000613Depilatories?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 & cosmeticsPubChem
CEDs000614Essential 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 & cosmeticsPubChem
CEDs000615Eye 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 & cosmeticsPubChem
CEDs000617Lip 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 & cosmeticsPubChem
CEDs000618Lip 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 & cosmeticsPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000634Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.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
CEDs000650Purses 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 & furnishingsPubChem
CEDs000652Ropes?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 & furnishingsPubChem
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.Textiles, leather & furnishingsPubChem
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000661Umbrellas?Umbrellas are commonly manufactured using synthetic materials such as polyester, nylon, and polyvinyl chloride (PVC), which can contribute to synthetic chemical contamination.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
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
CEDs000678Nitrogenous 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 managementPubChem
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
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.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
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.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
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000701Ventilation Of Mines Or Tunnels?Ventilation in mines or tunnels is essential for maintaining air quality and ensuring the safety of workers.Mining & metal processingPubChem
CEDs000702Blackboard Eraser?Blackboard erasers are commonly used tools for removing chalk from blackboards, and they often contain synthetic materials such as rubber, plastics, and adhesives.Paper, pulp & fiber productsPubChem
CEDs000704Blotters?Blotters are absorbent paper products commonly used in various applications, including ink absorption, oil removal, and moisture control.Paper, pulp & fiber productsPubChem
CEDs000714Embossing Machines?Embossing machines are industrial devices used to create raised patterns or designs on materials, including paper and fiber products.Paper, pulp & fiber productsPubChem
CEDs000716Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.Paper, pulp & fiber productsPubChem
CEDs000717Fountain Pens?Fountain pens utilize a liquid ink that often contains synthetic chemicals, including dyes, pigments, and solvents, which can contribute to environmental contamination.Paper, pulp & fiber productsPubChem
CEDs000720Ink Reservoir Pens2?Ink reservoir pens are writing instruments that utilize a reservoir to store ink, which is often composed of synthetic dyes, solvents, and additives.Paper, pulp & fiber productsPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000730Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.Healthcare, pharmaceuticals & veterinary productsPubChem
CEDs000734Coating 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 & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
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
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.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 & sedimentsPMC12903914
CEDs02260Aquatic SystemsAquatic systems & sedimentsPMC13366171
CEDs03079Secondary EffluentWastewater, sanitation & biosolidsPMC9943555
CEDs03175DetergentHousehold cleaning & consumer productsPMC4965473
CEDs03184Detergent MicellesHousehold cleaning & consumer productsPMC4965473
Pathways
3 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Matrix protein 2 structureClick to view 3D structureMatrix protein 2P06821Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.392
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
4
E-value
0.0778492
Click to view 3D structureMatrix protein 2P0DOF8Influenza A virus (A/Udorn/307/1972(H3N2))Predicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
4
E-value
0.0778492
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
1.0
Statistical Significance
0.052
Supporting Reference Compounds
562
E-value
405.127
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.267 Low confidence
Statistical Significance
0.0564
Supporting Reference Compounds
85
E-value
439.303
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.267 Low confidence
Statistical Significance
0.025
Supporting Reference Compounds
39
E-value
195.012
Envelope phospholipase OPG057 structureClick to view 3D structureEnvelope phospholipase OPG057P04021Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))Predicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.216 Low confidence
Statistical Significance
0.0152
Supporting Reference Compounds
1
E-value
118.487
Metabotropic glutamate receptor 1 structureClick to view 3D structureMetabotropic glutamate receptor 1Q13255HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.267 Low confidence
Statistical Significance
0.0797
Supporting Reference Compounds
68
E-value
620.692
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3Q14832HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.267 Low confidence
Statistical Significance
0.0838
Supporting Reference Compounds
40
E-value
652.143
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.257 Low confidence
Statistical Significance
0.4301
Supporting Reference Compounds
229
E-value
3348.61
Bifunctional epoxide hydrolase 2 structureClick to view 3D structureBifunctional epoxide hydrolase 2P34913HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.242 Low confidence
Statistical Significance
0.4174
Supporting Reference Compounds
93
E-value
3249.27
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.257 Low confidence
Statistical Significance
0.8464
Supporting Reference Compounds
532
E-value
6588.92
Metabotropic glutamate receptor 5 structureClick to view 3D structureMetabotropic glutamate receptor 5P41594HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.267 Low confidence
Statistical Significance
0.4438
Supporting Reference Compounds
89
E-value
3455.1
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.205 Low confidence
Statistical Significance
0.8739
Supporting Reference Compounds
553
E-value
6803.63
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.205 Low confidence
Statistical Significance
0.8442
Supporting Reference Compounds
497
E-value
6571.72
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.205 Low confidence
Statistical Significance
0.7251
Supporting Reference Compounds
257
E-value
5645.0
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.257 Low confidence
Statistical Significance
0.8519
Supporting Reference Compounds
507
E-value
6631.98
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P28845HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.222 Low confidence
Statistical Significance
0.3044
Supporting Reference Compounds
76
E-value
2369.5
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.205 Low confidence
Statistical Significance
0.8038
Supporting Reference Compounds
317
E-value
6257.21
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.205 Low confidence
Statistical Significance
0.7537
Supporting Reference Compounds
175
E-value
5867.42
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)
Prediction Confidence Score
0.181
Applicability Domain
0.231 Low confidence
Statistical Significance
0.2428
Supporting Reference Compounds
48
E-value
1890.33
Hemagglutinin structureClick to view 3D structureHemagglutininP03438Influenza A virus (strain A/X-31 H3N2)Predicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.178 Low confidence
Statistical Significance
0.0043
Supporting Reference Compounds
1
E-value
33.8644
11-beta-hydroxysteroid dehydrogenase 1 structureClick to view 3D structure11-beta-hydroxysteroid dehydrogenase 1P50172Mus musculusPredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.222 Low confidence
Statistical Significance
0.2284
Supporting Reference Compounds
41
E-value
1778.0
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.214 Low confidence
Statistical Significance
0.9186
Supporting Reference Compounds
451
E-value
7151.31
Nuclear receptor subfamily 0 group B member 2 structureClick to view 3D structureNuclear receptor subfamily 0 group B member 2Q15466HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.176 Low confidence
Statistical Significance
0.0163
Supporting Reference Compounds
1
E-value
126.972
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.455
Statistical Significance
0.7418
Supporting Reference Compounds
206
E-value
5774.7
Glutamate receptor ionotropic, NMDA 3A structureClick to view 3D structureGlutamate receptor ionotropic, NMDA 3AQ8TCU5HumansKnownNot Available
Click to view 3D structureMultidrug and toxin extrusion protein 1Q96FL8HumansKnownNot Available
Solute carrier family 22 member 2 structureClick to view 3D structureSolute carrier family 22 member 2O15244HumansKnownNot Available
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansKnownThe mechanism of its antiparkinsonic effect is not fully understood, but it appears to be releasing dopamine from the nerve endings of the brain cells, together with stimulation of norepinephrine response. The antiviral mechanism seems to be unrelated. The drug interferes with a viral protein, M2 (an ion channel), which is needed for the viral particle to become "uncoated" once it is taken inside the cell by endocytosis.
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansKnownThe mechanism of its antiparkinsonic effect is not fully understood, but it appears to be releasing dopamine from the nerve endings of the brain cells, together with stimulation of norepinephrine response. The antiviral mechanism seems to be unrelated. The drug interferes with a viral protein, M2 (an ion channel), which is needed for the viral particle to become "uncoated" once it is taken inside the cell by endocytosis.
Concentrations
Not Available
External Links
DrugBank IDDB00915
HMDB IDHMDB0015051
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkAmantadine
Chemspider ID2045
ChEBI ID2618
PubChem Compound ID2130
Kegg Compound IDC06818
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis Reference

Haaf, W.; U.S. Patent 3,152,180; October 6, 1964; assigned to Studiengesellschaft Kohle mbH, Germany.

MSDSLink
General References
  1. 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]
  2. Segura-Aguilar J: Peroxidase activity of liver microsomal vitamin D 25-hydroxylase and cytochrome P450 1A2 catalyzes 25-hydroxylation of vitamin D3 and oxidation of dopamine to aminochrome. Biochem Mol Med. 1996 Jun;58(1):122-9. [PubMed: 8809353]
  3. RxList: The Internet Drug Index (2009). - http://www.rxlist.com/symmetrel-drug.htm
  4. Budavari, S (ed) (1989). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc.
  5. McEvoy GK (ed) (2005). American Hospital Formulary Service - Drug Information 2005. Bethesda, MD: American Society of Health-System Pharmacists, Inc.