Target type: molecularfunction
Binding to acetylcholine, an acetic acid ester of the organic base choline that functions as a neurotransmitter, released at the synapses of parasympathetic nerves and at neuromuscular junctions. [GOC:ai]
Acetylcholine binding is a crucial process in neuronal signaling. It involves the interaction of acetylcholine, a neurotransmitter, with specific receptors located on the surface of cells. These receptors, known as acetylcholine receptors, are transmembrane proteins that possess a binding site for acetylcholine. Upon binding, acetylcholine triggers a series of events that ultimately lead to changes in the activity of the target cell. The molecular function of acetylcholine binding can be summarized as follows:
1. **Ligand Binding:** Acetylcholine, acting as a ligand, binds to its specific receptor site on the acetylcholine receptor. This binding event initiates a conformational change in the receptor protein.
2. **Conformational Change:** The binding of acetylcholine causes a change in the three-dimensional structure of the receptor, transitioning it from an inactive to an active state. This conformational change alters the permeability of the receptor to ions, specifically sodium and potassium.
3. **Ion Channel Opening:** The activated acetylcholine receptor becomes permeable to ions, allowing sodium ions to flow into the cell and potassium ions to flow out. This movement of ions creates an electrochemical gradient, depolarizing the membrane potential of the target cell.
4. **Signal Transduction:** The depolarization of the membrane potential triggers a cascade of intracellular signaling events. These signals can lead to various cellular responses, including muscle contraction, glandular secretion, and the modulation of neuronal activity.
5. **Ligand Dissociation:** After a brief period, acetylcholine detaches from the receptor, allowing the receptor to return to its inactive state. This process ensures that the signal is transient and controlled. The acetylcholine molecule is then rapidly hydrolyzed by the enzyme acetylcholinesterase, terminating the signal.
6. **Regulation:** The process of acetylcholine binding is tightly regulated by various factors, including the concentration of acetylcholine, the availability of receptors, and the activity of acetylcholinesterase. This regulation ensures that the signaling pathway is finely tuned and responsive to changes in neuronal activity.'
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| Protein | Definition | Taxonomy |
|---|---|---|
| Acetylcholine receptor subunit delta | An acetylcholine receptor subunit delta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q07001] | Homo sapiens (human) |
| Neuronal acetylcholine receptor subunit beta-3 | A neuronal acetylcholine receptor subunit beta-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05901] | Homo sapiens (human) |
| Neuronal acetylcholine receptor subunit alpha-4 | A neuronal acetylcholine receptor subunit alpha-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43681] | Homo sapiens (human) |
| Neuronal acetylcholine receptor subunit alpha-7 | A neuronal acetylcholine receptor subunit alpha-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36544] | Homo sapiens (human) |
| Neuronal acetylcholine receptor subunit alpha-3 | A neuronal acetylcholine receptor subunit alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P32297] | Homo sapiens (human) |
| Acetylcholinesterase | An acetylcholinesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22303] | Homo sapiens (human) |
| Muscarinic acetylcholine receptor M3 | A muscarinic acetylcholine receptor M3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P20309] | Homo sapiens (human) |
| Neuronal acetylcholine receptor subunit beta-2 | A neuronal acetylcholine receptor subunit beta-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17787] | Homo sapiens (human) |
| Acetylcholine receptor subunit beta | An acetylcholine receptor subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11230] | Homo sapiens (human) |
| Acetylcholine receptor subunit alpha | An acetylcholine receptor subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02708] | Homo sapiens (human) |
| Compound | Definition | Classes | Roles |
|---|---|---|---|
| quinacrine | quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9. Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2. | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| carbamic acid | carbamic acid : A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. | carbon oxoacid; one-carbon compound; organonitrogen compound | Escherichia coli metabolite |
| choline | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite | |
| coumarin | 2H-chromen-2-one: coumarin derivative | coumarins | fluorescent dye; human metabolite; plant metabolite |
| salicylic acid | Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
| 3-cresol | 3-cresol: RN given refers to parent cpd m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. | cresol | human xenobiotic metabolite |
| nornicotine | nornicotine: agricultural or horticultural insecticide; RN given refers to (+-)-isomer; structure | ||
| bupropion | bupropion : An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. Bupropion: A propiophenone-derived antidepressant and antismoking agent that inhibits the uptake of DOPAMINE. | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
| diacetyl | butane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
| thioctic acid | Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS. | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
| melatonin | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger | |
| 3-(1-methylpyrrolidin-2-yl)pyridine | 3-(1-methylpyrrolidin-2-yl)pyridine : An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2. | N-alkylpyrrolidine; pyridine alkaloid; pyrrolidine alkaloid | |
| toluene | methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
| xanthine | 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. | xanthine | Saccharomyces cerevisiae metabolite |
| epibatidine | alkaloid | ||
| huperzine a | huperzine A : A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It is also an effective inhibitor of acetylcholinesterase and has attracted interest as a therapeutic candidate for Alzheimer's disease. huperzine A: RN given refers to 5R-(5alpha,9beta,11E)-isomer; structure given in first source | quinolone | |
| dimethylphenylpiperazinium iodide | piperazines | ||
| 1,3-dipropyl-8-(4-sulfophenyl)xanthine | 1,3-dipropyl-8-(4-sulfophenyl)xanthine: adenosine receptor antagonist | ||
| bw 284 c 51 | |||
| 3-methylcholanthrene | 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position. Methylcholanthrene: A carcinogen that is often used in experimental cancer studies. | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
| 6,7-dichloroquinoxaline-2,3-dione | quinoxaline derivative | ||
| 6-methoxytryptoline | 6-methoxytryptoline: RN given refers to parent cpd; structure | ||
| oxyquinoline | Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
| tacrine | tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders. | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| ethacridine | Ethacridine: A topically applied anti-infective agent. | acridines | |
| alendronate | alendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
| alfuzosin | alfuzosin: structure given in first source | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
| ambenonium | ambenonium : A symmetrical oxalamide-based bis-quaternary ammonium ion having ethyl and 2-chlorobenzyl groups attached to the nitrogens. | quaternary ammonium ion | EC 3.1.1.8 (cholinesterase) inhibitor |
| amiodarone | amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance. | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
| amitriptyline | amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5. Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines. | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
| amoxapine | amoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position. Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression. | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
| anabasine | piperidine alkaloid; pyridine alkaloid | nicotinic acetylcholine receptor agonist; plant metabolite; teratogenic agent | |
| 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid prop-2-ynyl ester | dihydropyridine | ||
| arecoline | arecoline : A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. Arecoline: An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands. | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
| astemizole | astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects. | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
| benextramine | benextramine: RN given refers to parent cpd | ||
| benzo(a)pyrene | Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
| berberine | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker | |
| bethanechol | bethanechol : The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention. Bethanechol: A slowly hydrolyzing muscarinic agonist with no nicotinic effects. Bethanechol is generally used to increase smooth muscle tone, as in the GI tract following abdominal surgery or in urinary retention in the absence of obstruction. It may cause hypotension, HEART RATE changes, and BRONCHIAL SPASM. | carbamate ester; quaternary ammonium ion | muscarinic agonist |
| biperiden | biperiden : A member of the class of piperidines that is N-propylpiperidine in which the methyl hydrogens have been replaced by hydroxy, phenyl, and 5-norbornen-2-yl groups. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease. Biperiden: A muscarinic antagonist that has effects in both the central and peripheral nervous systems. It has been used in the treatment of arteriosclerotic, idiopathic, and postencephalitic parkinsonism. It has also been used to alleviate extrapyramidal symptoms induced by phenothiazine derivatives and reserpine. | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
| butenafine | butenafine : Trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections. butenafine: studied on experimental dermatophytosis | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
| caffeine | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic | |
| carbamylcholine | |||
| chelerythrine | chelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
| chloroquine | chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses. | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
| chlorpromazine | chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup. | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
| ciglitazone | ciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist. ciglitazone: structure given in second source; PPAR agonist used for type II diabetes | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
| citalopram | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group. citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active. Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia. | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
| clebopride | clebopride: antidopaminergic; RN given refers to parent cpd; structure | piperidines | |
| clomipramine | clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias. Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine. | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
| clotrimazole | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic | |
| 4-cresol | 4-cresol: RN given refers to parent cpd p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
| cyproheptadine | cyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia. Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc. | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
| decamethonium | decamethonium : A quaternary ammonium ion that is a depolarising muscle relaxant whose structure comprises a decane-1,10-diamine core in which each amino group carries three methyl substituents. decamethonium: RN given refers to parent cpd | quaternary ammonium ion | muscle relaxant; nicotinic acetylcholine receptor agonist |
| diazinon | diazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4. Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide. | organic thiophosphate; pyrimidines | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic |
| dichlorvos | dichlorvos : An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate. Dichlorvos: An organophosphorus insecticide that inhibits ACETYLCHOLINESTERASE. | alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide | anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
| dicyclomine | dicyclomine : The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome. Dicyclomine: A muscarinic antagonist used as an antispasmodic and in urinary incontinence. It has little effect on glandular secretion or the cardiovascular system. It does have some local anesthetic properties and is used in gastrointestinal, biliary, and urinary tract spasms. | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic |
| diphenidol | diphenidol : A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4. diphenidol: shows anti-arrhythmic activity; RN given refers to unlabeled parent cpd | benzenes; piperidines; tertiary alcohol | antiemetic |
| diphenhydramine | antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug. Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects. | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
| benzophenone | benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. | benzophenones | photosensitizing agent; plant metabolite |
| donepezil | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE. | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
| doxepin | doxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug. Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors. | dibenzooxepine; tertiary amino compound | antidepressant |
| dyclonine | aromatic ketone; piperidines | topical anaesthetic | |
| ebastine | organic molecular entity | ||
| ebselen | ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase. | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
| econazole | 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group. econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. Econazole: An imidazole derivative that is commonly used as a topical antifungal agent. | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
| edrophonium | edrophonium : A quaternary ammonium ion that is N-ethyl-N,N-dimethylanilinium in which one of the meta positions is substituted by a hydroxy group. It is a reversible inhibitor of cholinesterase, with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes). The chloride salt is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. Edrophonium: A rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles. | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
| profenamine | profenamine : A member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease. profenamine: was heading 1972-94 (see under PHENOTHIAZINES 1972-90); use PHENOTHIAZINES to search ETHOPROPAZINE 1972-94 | phenothiazines; tertiary amino compound | adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist |
| fenofibrate | Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
| fluphenazine | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug | |
| fluoxetine | fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder. Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group. | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
| gallamine triethiodide | aromatic ether | ||
| 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | benzenes | ||
| granisetron | aromatic amide; indazoles | ||
| haloperidol | haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279) | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
| harmaline | harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM. | harmala alkaloid | oneirogen |
| hexachlorophene | hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union. Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797) | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
| huprine x | huprine X: structure in first source | ||
| hydroxychloroquine | hydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions. Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970) | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
| velnacrine | velnacrine: RN given refers to (+-)-isomer; RN for cpd without isomeric designation not available 8/88; structure in first source; potential Alzheimer's disease drug but trial halted due to abnormal liver tests | acridines | |
| ibuprofen | Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
| isoflurane | Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects. | organofluorine compound | inhalation anaesthetic |
| ketotifen | ketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect. Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis. | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
| kynurenic acid | kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool. | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
| maprotiline | Maprotiline: A bridged-ring tetracyclic antidepressant that is both mechanistically and functionally similar to the tricyclic antidepressants, including side effects associated with its use. | anthracenes | |
| mecamylamine | Mecamylamine: A nicotinic antagonist that is well absorbed from the gastrointestinal tract and crosses the blood-brain barrier. Mecamylamine has been used as a ganglionic blocker in treating hypertension, but, like most ganglionic blockers, is more often used now as a research tool. | primary aliphatic amine | |
| memantine | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist | |
| methoctramine | aromatic ether; tetramine | muscarinic antagonist | |
| methoxsalen | methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation. | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
| n-methylcarbamylcholine | N-methylcarbamylcholine: structure given in first source | ||
| 3,7-bis(dimethylamino)phenothiazin-5-ium | 3,7-bis(dimethylamino)phenothiazin-5-ium : An organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'. | organic cation | |
| 5-methylfurtrethonium | 5-methylfurtrethonium: RN given refers to parent cpd; structure | aralkylamine | |
| metoclopramide | metoclopramide : A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine. Metoclopramide: A dopamine D2 antagonist that is used as an antiemetic. | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
| mianserin | mianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere. Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors. | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
| miconazole | 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes. Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion. | dichlorobenzene; ether; imidazoles | |
| minaprine | minaprine: Agr 1240 refers to di-HCl; short-acting type A MAO inhibitor (MAOI) of mild potency; structure | morpholines; pyridazines; secondary amine | antidepressant; antiparkinson drug; cholinergic drug; dopamine uptake inhibitor; serotonin uptake inhibitor |
| clorgyline | clorgyline : An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant. Clorgyline: An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE. | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
| nefazodone | nefazodone: may be useful as an opiate adjunct | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
| neostigmine | neostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor. Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier. | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| nifedipine | Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure. | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
| nizatidine | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist | |
| nortriptyline | nortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline. Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions. | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
| ondansetron | Ondansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties. | carbazoles | |
| orphenadrine | orphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol. Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm. | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
| oxotremorine | Oxotremorine: A non-hydrolyzed muscarinic agonist used as a research tool. | N-alkylpyrrolidine | |
| oxybutynin | oxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder. oxybutynin: RN given refers to parent cpd | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
| quinone | 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene. benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
| papaverine | papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum. Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels. | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
| pentoxifylline | oxopurine | ||
| perhexiline | Perhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis. | piperidines | cardiovascular drug |
| 1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | pyrroloindole | ||
| pirenzepine | Pirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients. | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
| duodote | duodote: consists of atropine and pralidoxime chloride; for treating those exposed to organophosphorus-containing nerve agents | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
| primaquine | primaquine : An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia. Primaquine: An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404) | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
| procainamide | procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE. | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
| prochlorperazine | prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position. Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612) | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
| promazine | promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position. Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic. | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
| promethazine | promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety. Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals. | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
| propentofylline | oxopurine | ||
| propidium | Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits. | phenanthridines; quaternary ammonium ion | fluorochrome; intercalator |
| propoxur | propoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group. Propoxur: A carbamate insecticide. | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| propranolol | propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs. | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
| protopine | dibenzazecine alkaloid | plant metabolite | |
| pyridostigmine | pyridinium ion | ||
| quetiapine | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist | |
| raloxifene | raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| ranitidine | aralkylamine | ||
| risperidone | risperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2. Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA. | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
| sanguinarine | benzophenanthridine alkaloid : A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family. | alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent | |
| sb 206553 | SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first source | pyrroloindole | |
| spiperone | spiperone : An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively. Spiperone: A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA. | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
| sulconazole | 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group. sulconazole : A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections. sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
| sulfanilamide | substituted aniline; sulfonamide; sulfonamide antibiotic | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor | |
| tetraisopropylpyrophosphamide | Tetraisopropylpyrophosphamide: N,N',N'',N'''-Tetraisopropylpyrophosphamide. A specific inhibitor of pseudocholinesterases. It is commonly used experimentally to determine whether pseudo- or acetylcholinesterases are involved in an enzymatic process. | phosphoramide | |
| thioridazine | thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position. Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA. | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
| tilorone | tilorone : A member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug. Tilorone: An antiviral agent used as its hydrochloride. It is the first recognized synthetic, low-molecular-weight compound that is an orally active interferon inducer, and is also reported to have antineoplastic and anti-inflammatory actions. | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
| trihexyphenidyl | Trihexyphenidyl: One of the centrally acting MUSCARINIC ANTAGONISTS used for treatment of PARKINSONIAN DISORDERS and drug-induced extrapyramidal movement disorders and as an antispasmodic. | amine | |
| tropicamide | Tropicamide: One of the MUSCARINIC ANTAGONISTS with pharmacologic action similar to ATROPINE and used mainly as an ophthalmic parasympatholytic or mydriatic. | acetamides | |
| donepezil hydrochloride | donepezil hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)- donepezil hydrochloride. Its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. | ||
| isoproterenol hydrochloride | catechols | ||
| neostigmine methylsulfate | arylammonium sulfate salt | EC 3.1.1.8 (cholinesterase) inhibitor | |
| carbachol | Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS. | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
| (4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride: A drug that selectively activates certain subclasses of muscarinic receptors and also activates postganglionic nicotinic receptors. It is commonly used experimentally to distinguish muscarinic receptor subtypes. | ||
| isoflurophate | Isoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM. | dialkyl phosphate | |
| physostigmine | Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
| acetylcholine chloride | acetylcholine chloride : The chloride salt of acetylcholine, and a parasympatomimetic drug. | quaternary ammonium salt | |
| mepazine | mepazine: major descriptor (66-85); on-line search PHENOTHIAZINES (66-85); Index Medicus search MEPAZINE (66-85); RN given refers to parent cpd pacatal : A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position. | phenothiazines | |
| n,n-dimethyltryptamine | N,N-dimethyltryptamine : A tryptamine derivative having two N-methyl substituents on the side-chain. N,N-Dimethyltryptamine: An N-methylated indoleamine derivative and serotonergic hallucinogen which occurs naturally and ubiquitously in several plant species including Psychotria veridis. It also occurs in trace amounts in mammalian brain, blood, and urine, and is known to act as an agonist or antagonist of certain SEROTONIN RECEPTORS. | tryptamine alkaloid; tryptamines | |
| berlition | (R)-lipoic acid : The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties. berlition: antioxidant preparation containing alpha-lipoic acid, used in the neuroprotective therapy of chronic brain ischemia for correction of free-radical processes lipoic acid : A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position. | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group |
| ficusin | Ficusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking. psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. | psoralens | plant metabolite |
| tetramethylammonium | tetramethylammonium : The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups. tetramethylammonium: RN given refers to parent cpd | quaternary ammonium ion | |
| mepenzolate bromide | diarylmethane | ||
| tabun | tabun: proposed as military nerve gas and exptl cholinesterase inhibitor; extremely poisonous; structure | ||
| acenaphthenequinone | acenaphthoquinone : An orthoquinone that is the 1,2-dioxo derivative of acenaphthene. | orthoquinones | chain carrier; epitope |
| cyclizine | cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group. Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935) | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
| 9,10-phenanthrenequinone | 9,10-phenanthrenequinone: structure | phenanthrenes | |
| 5-bromoisatin | indoles | anticoronaviral agent | |
| isatin | tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal; | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| 2-xylene | 2-xylene: RN given refers to parent cpd o-xylene : A xylene substituted by methyl groups at positions 1 and 2. | xylene | |
| 3-nitrotoluene | mononitrotoluene | ||
| 4-nitrotoluene | 4-nitrotoluene : A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position. 4-nitrotoluene: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6470 mononitrotoluene : A nitrotoluene bearing a single nitro substituent at any position. A "closed class". | mononitrotoluene | |
| pyridostigmine bromide | Pyridostigmine Bromide: A cholinesterase inhibitor with a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants. | pyridinium salt | |
| 4-methyl anisole | methoxybenzenes | ||
| 4-xylene | p-xylene : A xylene with methyl groups at positions 1 and 4. | xylene | |
| 4-toluidine | 4-toluidine: RN given refers to parent cpd p-toluidine : An aminotoluene in which the amino substituent is para to the methyl group. | aminotoluene | |
| 3-xylene | m-xylene : A xylene carrying methyl groups at positions 1 and 3. | xylene | |
| neostigmine bromide | neostigmine bromide : The bromide salt of neostigmine. | bromide salt | |
| edrophonium chloride | edrophonium chloride : The chloride salt of edrophonium. A reversible inhibitor of cholinesterase with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes), it is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
| chloranil | Chloranil: A quinone fungicide used for treatment of seeds and foliage. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
| benzoin | benzoins; secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor | |
| dibenzoylmethane | dibenzoylmethane : A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. | aromatic ketone; beta-diketone | antimutagen; antineoplastic agent; metabolite |
| benzethonium chloride | benzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses. | aromatic ether; chloride salt; quaternary ammonium salt | antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant |
| benzil | benzil : An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively. benzil: structure | alpha-diketone; aromatic ketone | |
| sterogenol | cetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. hexadecylpyridinium bromide: structure in first source | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
| acridines | acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom. Acridines: Compounds that include the structure of acridine. | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
| indopan | alpha-methyltryptamine : A tryptamine derivative having a methyl substituent at the alpha-position. indopan: RN given refers to parent cpd without isomeric designation | tryptamines | |
| edrophonium bromide | |||
| paraoxon | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite | |
| galantamine | Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils. | benzazepine alkaloid; benzazepine alkaloid fundamental parent; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
| benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-), Dibromide: Proposed cholinesterase inhibitor. | ||
| boldine | aporphine alkaloid | ||
| rhein | dihydroxyanthraquinone | ||
| cytisine | alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound | nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite | |
| vasicinone | vasicinone: isolated from Adhatoda vasica; structure given in first source | ||
| carvacrol | carvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
| 1,3-cyclohexanedione | 1,3-cyclohexanedione: structure cyclohexane-1,3-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 3. | beta-diketone; cyclohexanedione | |
| dimenhydrinate | gravinol: has antioxidant and ant-inflammatory activities; structure in first source | diarylmethane | |
| dibromsalicil | dibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic | ||
| 1,2-naphthoquinone | 1,2-naphthoquinone : The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles. naphthalene-1,2-dione: structure given in first source | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist; carcinogenic agent |
| decamethonium dibromide | |||
| gentian violet | crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain. Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties. | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
| jkl 1073a | 8-oxoberberine: structure given in first source | ||
| 1-acetylisatin | 1-acetylisatin: structure in first source | indoledione | |
| 1-phenyl-1,2-propanedione | 1-phenyl-1,2-propanedione : An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee. 1-phenyl-1,2-propanedione: an oxoglutarate carrier antagonist | alpha-diketone; aromatic ketone | plant metabolite |
| anatabine | anatabine: alkaloid found in tobacco; structure | bipyridines | |
| glycopyrrolate | Glycopyrrolate: A muscarinic antagonist used as an antispasmodic, in some disorders of the gastrointestinal tract, and to reduce salivation with some anesthetics. glycopyrronium bromide : A quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and bromide ions in a 1:1 ratio. | organic bromide salt; quaternary ammonium salt | |
| 2,3-pentanedione | pentane-2,3-dione : An alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. | alpha-diketone; methyl ketone | flavouring agent |
| 5-methylisatin | 5-methylisatin: structure in first source | ||
| Berberine chloride (TN) | organic molecular entity | ||
| 1,2-cyclohexanedione | cyclohexane-1,2-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 2. cyclohexanedione : Cyclohexanones carrying two oxo substituents. | cyclohexanedione | |
| ethylestrenol | ethylestrenol : A 17beta-hydroxy steroid that is estrane containing a double bond between positions 4 and 5 and substituted by an ethyl group and a hydroxy group at the 17alpha and 17beta positions, respectively. It is an anabolic steroid that has little androgenic effect and only slight progestational activity. It has been used to promote growth in boys with delayed bone growth. Ethylestrenol: An anabolic steroid with some progestational activity and little androgenic effect. | 17beta-hydroxy steroid; tertiary alcohol | anabolic agent |
| chlormequat | chlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants. Chlormequat: A plant growth regulator that is commonly used on ornamental plants. | quaternary ammonium ion | plant growth retardant |
| 3-hydroxyphenyltrimethylammonium | 3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure | ||
| laudanosine | laudanosine: opium alkaloid | isoquinolines | |
| 4-octylphenol | 4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. 4-octylphenol: xenoestrogen | phenols | metabolite; surfactant; xenoestrogen |
| 5-hydroxyindole | hydroxyindoles | human metabolite | |
| n-methylisatin | N-methylisatin: structure given in first source | ||
| muscarine | |||
| thioflavin t | thioflavin T cation : A benzothiazolium ion obtained by methylation of the thiazole nitrogen of 2-[4-(dimethylamino)phenyl]-6-methyl-1,3-benzothiazole; the cationic component of thioflavin T. | benzothiazolium ion | |
| butyrylcholine | butyrylcholine: RN given refers to parent cpd | acylcholine | |
| anabaseine | anabaseine: structure given in first source | bipyridines | |
| palmatine | burasaine: structure in first source | berberine alkaloid; organic heterotetracyclic compound | plant metabolite |
| 9-amino-6-chloro-2-methoxyacridine | |||
| butyrylthiocholine | butyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity. Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity. | quaternary ammonium ion | |
| imidocarb | Imidocarb: One of ANTIPROTOZOAL AGENTS used especially against BABESIA in livestock. Toxicity has been reported. | ureas | antiprotozoal drug |
| benzetimide | piperidines | ||
| dimethindene | Dimethindene: A histamine H1 antagonist. It is used in hypersensitivity reactions, in rhinitis, for pruritus, and in some common cold remedies. | indene | |
| n-methylacridine | N-methylacridine: RN given refers to acridinium parent cpd | ||
| quinuclidinyl benzilate | |||
| selegiline | Selegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl. | selegiline; terminal acetylenic compound | geroprotector |
| clemastine | clemastine : 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions. Clemastine: A histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness. | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
| danazol | Danazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders. | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
| metergoline | metergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7. Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy. | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
| acetylacetone | acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. | beta-diketone | |
| dihydro-beta-erythroidine | dihydro-beta-erythroidine : An organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene. Dihydro-beta-Erythroidine: Dihydro analog of beta-erythroidine, which is isolated from the seeds and other plant parts of Erythrina sp. Leguminosae. It is an alkaloid with curarimimetic properties. | delta-lactone; organic heterotetracyclic compound; tertiary amino compound | nicotinic antagonist |
| dexchlorpheniramine | dexchlorpheniramine: RN given refers to parent cpd(S)-isomer | chlorphenamine | |
| butaclamol | amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound | dopaminergic antagonist | |
| thiocholine | Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain. | ||
| 5-Methoxyisatin | indoles | anticoronaviral agent | |
| 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor | |
| closantel | closantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections. closantel: structure N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively. | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
| paroxetine | paroxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression. | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
| bambuterol | bambuterol : A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline. bambuterol: selective inhibitor of butyrylcholinesterase & acetylcholinesterase | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
| n-methyl-n-(1-methyl-4-pyrrolidino-2-butynyl)acetamide | N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide: RN given refers to parent cpd without isomeric designation | N-alkylpyrrolidine | |
| sertindole | sertindole : A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group. | heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole | alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist |
| aripiprazole | aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression. | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
| xanomeline | xanomeline: a cholinergic agonist; used in the treatment of Alzheimer's disease; structure given in first source | tetrahydropyridine; thiadiazoles | muscarinic agonist; serotonergic agonist |
| zifrosilone | zifrosilone: an acetylcholinesterase inhibitor; being developed as a possible treatment of Alzheimer's disease; structure given in first source | ||
| irinotecan | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug | |
| ziprasidone | ziprasidone : A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms. ziprasidone: a benzisothiazoylpiperazine derivative; has combined dopamine and serotonin receptor antagonist activity; structurally related to tiospirone | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
| 3-methyl-1,2-cyclopentanedione | 3-methyl-1,2-cyclopentanedione: a peroxynitrite scavenger isolated from coffee extract; structure in first source | cyclic ketone | |
| xanthyletine | xanthyletine: structure | coumarins | |
| pralidoxime iodide | organic iodide salt; pyridinium salt | cholinergic drug; cholinesterase reactivator | |
| geneserine | geneserine: structure given in first source | indoles | |
| physostigmine heptyl | physostigmine heptyl: RN given for (3aS-cis)-isomer; structure given in first source; possible use in therapy of Alzheimer's disease | ||
| trihexyphenidyl hydrochloride | aralkylamine | ||
| diphenidol hydrochloride | diarylmethane | ||
| isoimperatorin | isoimperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. isoimperatorin: tumor necrosis factor antagonist isolated from Glehniae root | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
| alpha-furil | alpha-furil: structure in first source | ||
| 3,4-dimethoxytoluene | 3,4-dimethoxytoluene: structure given in first source | ||
| 2,3-trimethylene-4-quinazolone | 2,3-trimethylene-4-quinazolone: structure in first source | quinazolines | |
| esaprazole | esaprazole: RN given refers to parent cpd; structure in first source | ||
| 4-benzoylbenzoic acid | 4-carboxybenzophenone: a photosensitizer agent | ||
| adrenoglomerulotropin | adrenoglomerulotropin: aldosterone stimulating hormone found in extracts of pineal gland; structure | ||
| aprofen | aprofen: RN given refers to parent cpd; structure | ||
| n-methylscopolamine | N-Methylscopolamine: A muscarinic antagonist used to study binding characteristics of muscarinic cholinergic receptors. | ||
| sr 95191 | SR 95191: structure given in first source | ||
| hesperetin | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite | |
| chelerythrine chloride | |||
| lycorine | lycorine : An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity. lycorine: from bulbs of LYCORIS & other plants; RN given refers to (1 alpha,2 beta)-isomer; structure in Merck Index, 9th ed, #5444 | indolizidine alkaloid | anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor |
| polygodial | aldehyde | ||
| 1,10-phenanthroline-5,6-dione | 1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source | ||
| 1,2,3,6-tetragalloylglucose | 1,2,3,6-tetragalloylglucose: structure given in first source 1,2,3,6-tetrakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. | gallate ester; galloyl beta-D-glucose | |
| nodakenin | nodakenin: RN given for (R)-isomer; has anti-inflammatory properties | furanocoumarin | |
| 2-chloranil | |||
| 3,5-di-tert-butyl-1,2-benzoquinone | |||
| enpiperate | enpiperate: RN given refers to parent cpd | ||
| rivastigmine | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent | |
| hexyltrimethylammonium | hexyltrimethylammonium: RN given refers to parent cpd | ||
| 5-Chloro-1H-indole-2,3-dione | indoles | anticoronaviral agent | |
| N-methyl-N-(3-pyridylmethyl)amine | aralkylamine | ||
| 5-iodoisatin | 5-iodoisatin: structure in first source | indoles | anticoronaviral agent |
| 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester | 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester: structure given in first source | ||
| nicotine | (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
| 2,2-dimethoxy-2-phenylacetophenone | |||
| trimethyl(4-oxopentyl)ammonium | N,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl. trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag | quaternary ammonium ion | |
| 1-phenazinecarboxylic acid | 1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. | aromatic carboxylic acid; monocarboxylic acid; phenazines | antifungal agent; antimicrobial agent; bacterial metabolite |
| anisoin | |||
| hydrobenzoin | hydrobenzoin: structure in first source | ethanediol | |
| malabaricone c | malabaricone C: from maize (Myristica fragrans); structure given in first source | butanone | metabolite |
| lobeline | (-)-lobeline : An optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position. | aromatic ketone; piperidine alkaloid; tertiary amine | nicotinic acetylcholine receptor agonist |
| rimonabant | |||
| propidium iodide | organic iodide salt | ||
| methoctramine | methoctramine : A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents. methoctramine tetrahydrochloride : A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid. methoctramine: structure given in first source | hydrochloride | muscarinic antagonist |
| gr 127935 | GR 127935 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration. GR 127935: a 5-HT 1D receptor antagonist | 1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine | |
| afdx 116 | otenzepad: cardioselective muscarinic receptor antagonist; structure given in first source | benzodiazepine | |
| deguelin | deguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source | aromatic ether; diether; organic heteropentacyclic compound; rotenones | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite |
| territrem b | territrem B: tremorgenic mycotoxin from Aspergillus terreus; RN given refers to (4aR-(4aalpha,6abeta,12aalpha,12bbeta))-isomer | ||
| tephrosin | tephrosin : A member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a and methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities. tephrosin: RN given for (7aR-cis)-isomer; has insecticidal activity; structure in first source | aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; pesticide |
| tanshinone | tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | abietane diterpenoid | anticoronaviral agent |
| thiacloprid | (Z)-thiacloprid : The (Z)-stereoisomer of thiacloprid. thiacloprid : A nitrile that is cyanamide in which the hydrogens are replaced by a 1,3-thiazolidin-2-ylidene group which in turn is substituted by a (6-chloropyridin-3-yl)methyl group at the ring nitrogen. thiacloprid: structure in first source | monochloropyridine; nitrile; thiazolidines | environmental contaminant; neonicotinoid insectide; xenobiotic |
| 7-methoxytacrine | |||
| afdx 384 | AF-DX 384 : A pyridobenzodiazepine that acts as a selective antagonist of the muscarinic acetylcholine receptors. | benzodiazepine | |
| 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole | 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole: structure in first source | ||
| pramipexole | pramipexole : A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively. Pramipexole: A benzothiazole derivative and dopamine agonist with antioxidant properties that is used in the treatment of PARKINSON DISEASE and RESTLESS LEGS SYNDROME. | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
| razadyne | Razadyne: Name of the FDA approved preparation from J&J. | ||
| profenamine hydrochloride | profenamine hydrochloride : The monohydrochloride salt of profenamine. An antimuscarinic, it is used for the symptomatic treatment of Parkinson's disease. | hydrochloride | adrenergic antagonist; antiparkinson drug; histamine antagonist; muscarinic antagonist |
| 1,3-indandione | 1,2-indanedione: use for detection of latent fingerprints on porous surfaces; structure in first source | ||
| glabranin | glabranin : A dihydroxyflavanone that is pinocembrin substituted by a prenyl group at position 8. | (2S)-flavan-4-one; dihydroxyflavanone | plant metabolite |
| dihydrosanguinarine | benzophenanthridine alkaloid | antifungal agent; metabolite | |
| desloratadine | desloratadine : Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. desloratadine: major metabolite of loratadine | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
| l 670548 | L 670548: structure given in first source; muscarinic receptor agonist | ||
| azaprophen | azaprophen: RN & structure given in first source; RN given refers to parent cpd | ||
| aq-ra 741 | AQ-RA 741: tricyclic cpd; structure given in first source | benzodiazepine | |
| gamma-carboline | gamma-carboline: RN given refers to parent cpd; structure given in first source | pyridoindole | |
| quilostigmine | quilostigmine: RN given for (3aS,cis)-isomer; structure in first source | pyrroloindole | |
| bibn 99 | BIBN 99: structure given in first source; a highly selective M2 antagonist | ||
| tripitramine | tripitramine: structure given in first source; preferentially binds to M2 receptors | ||
| 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester | 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester: structure given in first source | ||
| solifenacin | isoquinolines | ||
| hyoscyamine | (S)-atropine : An atropine with a 2S-configuration. Hyoscyamine: The 3(S)-endo isomer of atropine. | tropane alkaloid | |
| barbigerone | barbigerone: an antioxidant; structure in first source | ||
| philanthotoxin 343 | philanthotoxin 343: structure given in first source (see article's footnote); identical to philanthotoxin 433 except that the number of methylene groups between the respective amine moieties is 3,4,3 instead of 4,3,3 | N-acyl-amino acid | |
| miltirone | miltirone: from Salvis miltiorrhiza Bunge; central benzodiazepine receptor ligand; structure given in first source | abietane diterpenoid | |
| cryptotanshinone | cryptotanshinone: from Salvia miltiorrhiza | abietane diterpenoid | anticoronaviral agent |
| territrem c | territrem C: tremorgenic mycotoxin from Aspergillus terreus; MF C28-H32-O9; structure given in first source | ||
| harmalan | harmalan: structure given in first source | harmala alkaloid | |
| ar-turmerone | (+)-(S)-ar-turmerone : A sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis. ar-turmerone: potent antivenom against snake bites; isolated form Curcuma longa; structure given in first source | enone; sesquiterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
| asimilobine | asimilobine: from Nelumbro nucifera; RN given refers to (R)-isomer | aporphine alkaloid | metabolite |
| malabaricone b | malabaricone B: from maize (Myristica fragrans); structure given in first source | ||
| tanshinone ii a | tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source | abietane diterpenoid | |
| chonemorphine | chonemorphine: a steroidal alkaloid; antiparasitic agent from Chonemorpha fragrans | ||
| erysodine | erysodine : An erythrina alkaloid with formula C18H21NO3 isolated from several erythrina plant species. It is a competitive antagonist of nicotinic acetylcholine receptors and exhibits antiparasitic and insecticidal activities. erysodine: structure given in first source | aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols | antiparasitic agent; nicotinic antagonist; phytogenic insecticide |
| magnolin | magnolin: from flower buds of Magnolia biondii | ||
| varenicline | varenicline : An organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking. Varenicline: A benzazepine derivative that functions as an ALPHA4-BETA2 NICOTINIC RECEPTOR partial agonist. It is used for SMOKING CESSATION. | ||
| atropine | tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3. | ||
| pozanicline | |||
| nantenine, (+-)-isomer | |||
| rs 67333 | RS 67333: 5-HT(4) receptor agonist; structure in first source | aromatic ketone | |
| aflatoxin b1 | aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1. | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
| phenserine | phenserine: a carbamate analog of physostigmine; a long-acting inhibitor of cholinesterase | ||
| latrepirdine | latrepirdine: structure | methylpyridines; pyridoindole | geroprotector |
| zanapezil | piperidines | ||
| tv3326 | indanes | ||
| taspine | taspine: RN given refers to parent cpd; structure | ||
| solifenacin succinate | Solifenacin Succinate: A quinuclidine and tetrahydroisoquinoline derivative and selective M3 MUSCARINIC ANTAGONIST. It is used as a UROLOGIC AGENT in the treatment of URINARY INCONTINENCE. | isoquinolines | |
| ml 204 | ML 204: modulates both TRPC4 and TRPC5 channels; structure in first source | ||
| 5-Fluoroisatin | indoles | anticoronaviral agent | |
| berbamine | bisbenzylisoquinoline alkaloid; isoquinolines | ||
| papaverinol | papaverinol: degradation product of papaverine | ||
| N-butyl-1H-benzimidazol-2-amine | benzimidazoles | ||
| pnu 120596 | 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea: an alpha7nAChR agonist; structure in first source | ureas | |
| malabaricone a | malabaricone A: from Myristica malabarica (rampatri), has antipromastigote activity; structure in first source | ||
| marmesin | marmesin: RN given refers to (S)-isomer; nodakenetin is the (R)-isomer | marmesin | |
| aromoline | aromoline: from roots of Stephania cepharantha; structure given in first source | ||
| harmicine | harmicine: structure in first source | ||
| 5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one | 5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one: structure given in first source; a dibenzo derivative of AQ-RA 741; a m2-selective muscarinic antagonist | ||
| 3-(1-dimethylaminoethyl)phenol | 3-(1-dimethylaminoethyl)phenol: a rivastigmine metabolite; structure in first source | ||
| 1-methyl-6-methoxy-dihydro-beta-carboline | |||
| anatoxin a | anatoxin a: found in Anabaena; was indexed to cyanobacterial toxin (MARINE TOXINS) 1978-2006; also see anatoxin-a(s) | tropane alkaloid | |
| naringenin | (S)-naringenin : The (S)-enantiomer of naringenin. | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
| eriodictyol | eriodictyol : A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively. eriodictyol: structure | 3'-hydroxyflavanones; tetrahydroxyflavanone | |
| obamegine | obamegine: RN given refers to cpd without isomeric designation | bisbenzylisoquinoline alkaloid; isoquinolines | |
| terconazole | (2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively. terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida). terconazole: structure & RN for (cis)-isomer from first source | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
| hemanthamine | alkaloid | ||
| physovenine | physovenine: structure given in first source | indoles | |
| decursin | decursin: activates protein kinase C; isolated from the root of Angelica gigas; RN given for (S)-isomer; structure in first source | coumarins | |
| decursinol | decursinol : An organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). | cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol | analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
| bisabolol | Kamillosan: drug combination containing chamomile and bisabolol; used to treat dermatitis | sesquiterpenoid | |
| Girgensonine | nitrile | ||
| 3-deoxyvasicine | 3-deoxyvasicine: RN given refers to parent cpd | quinazolines | |
| yangambin | lignan | ||
| 1-O-Acetyllycorine | 1-acetyllycorine: has antiviral activity; structure in first source | alkaloid | |
| floxacillin | obliquine: obliquine is the (3S,4aS,11S,10bS)-isomer; isolated from Cyrtanthus obliquus; structure in first source; do not confuse with obliquin | isoquinolines | |
| pseudolycorine | pseudolycorine: alkaloid isolated from Narcissus tazetta var. chinensis Roem, N. papyraceus or Lycoris radiata Herb; structure in first source | phenanthridines | |
| sanguinine | sanguinine: from Amaryllidaceae; structure in first source | benzazepine | |
| lycoramine | lycoramine: structure in first source | benzazepine | |
| tolterodine | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant | |
| darifenacin | darifenacin : 2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence. | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
| e-z cinnamic acid | cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | cinnamic acid | plant metabolite |
| resveratrol | trans-resveratrol : A resveratrol in which the double bond has E configuration. | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
| ferulic acid | ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
| diethylstilbestrol | diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed) | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
| ganoderiol f | ganoderiol F: a ganoderma triterpene from Ganoderma amboinense; structure in first source | triterpenoid | |
| licoricidin | licoricidin : A member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2' and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 3'. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. licoricidin: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source | aromatic ether; hydroxyisoflavans; methoxyisoflavan | antibacterial agent; plant metabolite |
| deformylflustrabromine | deformylflustrabromine: has antineoplastic activity; isolated from Flustra folicea; structure in first source | tryptamines | |
| tropacocaine | tropacocaine: RN given refers to (exo)-isomer; structure | ||
| isoliquiritigenin | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist | |
| propolin c | nymphaeol A : A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity. propolin C: a PAK1 inhibitor; from Taiwanese propolis; structure in first source | 4'-hydroxyflavanones; tetrahydroxyflavanone | metabolite; radical scavenger |
| tropisetron | tropisetron : An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine. Tropisetron: An indole derivative and 5-HT3 RECEPTOR antagonist that is used for the prevention of nausea and vomiting. | indolyl carboxylic acid | |
| (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | alkylbenzene | ||
| ipratropium bromide anhydrous | |||
| ipratropium | |||
| methamilane methiodide | |||
| physostigmine salicylate | azaheterocycle salicylate salt; salicylates | ||
| quinuclidinyl benzilate | |||
| caffeic acid | trans-caffeic acid : The trans-isomer of caffeic acid. | caffeic acid | geroprotector; mouse metabolite |
| 3-(3,4-dimethoxyphenyl)propenoic acid | 3-(3,4-dimethoxyphenyl)propenoic acid: structure given in first source; RN given refers to parent cpd 3,4-dimethoxycinnamic acid : A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively. | methoxycinnamic acid | |
| lobeline | |||
| 4,4-dicarboxy-5-pyridoxylproline | |||
| epibatidine | |||
| huperzine a | organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite | |
| deltoin | deltoin: from Saposhnikovia divaricata (Fang Feng in Chinese); structure in first source | furanocoumarin | |
| flunarizine | Flunarizine: Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy. | diarylmethane | |
| curcumin | curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes. | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
| 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]thiourea | thioureas | ||
| benztropine | benzatropine : Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. Benztropine: A centrally active muscarinic antagonist that has been used in the symptomatic treatment of PARKINSON DISEASE. Benztropine also inhibits the uptake of dopamine. | diarylmethane | |
| 1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid: has been shown to exhibit unprecedented positive allosteric activity for ACh binding as well as inherent agonist activity at the M1 muscarinic receptor; structure in first source | ||
| cinnarizine | Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS. | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
| capsaicin | ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers. | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
| enclomiphene | Enclomiphene: The trans or (E)-isomer of clomiphene. | ||
| 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione | indoles | ||
| tacrine hydrochloride | |||
| tamoxifen | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator | |
| jnj-5207852 | |||
| Ganodermanontriol | triterpenoid | metabolite | |
| hmr 3647 | |||
| 4-diphenylacetoxy-n-methylpiperidine methiodide | 4-DAMP methiodide : A quaternary ammonium salt obtained by combining equimolar amounts of 4-diphenylacetoxy-N-methylpiperidine and iodomethane. | iodide salt; quaternary ammonium salt | cholinergic antagonist; muscarinic antagonist |
| anatoxin a | anatoxin I: found mainly in ANABAENA; was indexed to cyanobacterial toxin (MARINE TOXINS). isolated from many salt-tolerant freshwater cyanobacteria | ||
| n,n'-4-xylylenebis(pyridinium) | |||
| azilect | |||
| rasagiline | indanes; secondary amine; terminal acetylenic compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent | |
| abt 594 | |||
| 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide | sulfonamide | ||
| ungeremine | organic molecular entity | metabolite | |
| 5-Nitroisatin | indoles | anticoronaviral agent | |
| 5-(6-chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene | azepine | ||
| quercetin | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger | |
| apigenin | Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | trihydroxyflavone | antineoplastic agent; metabolite |
| luteolin | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist | |
| scopoletin | hydroxycoumarin | plant growth regulator; plant metabolite | |
| rutin | Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
| kaempferol | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite | |
| harmine | harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's. | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
| naringenin chalcone | 2',4,4',6'-tetrahydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' ,4, 4', and 6' respectively. naringenin chalcone: RN given refers to cpd with unspecified stereoisomer & from CA Vol 92 Form Index; RN for cpd not in Chemline 7/6/83; structure in first source | chalcones; polyphenol | anti-allergic agent; anti-inflammatory agent; metabolite |
| montelukast | montelukast: a leukotriene D4 receptor antagonist | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
| 7-hydroxycoumarin | 7-oxycoumarin: derivatives have anti-oxidant properties umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. | hydroxycoumarin | fluorescent probe; food component; plant metabolite |
| fisetin | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite | |
| galangin | 5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
| myricetin | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite | |
| 4'-hydroxychalcone | 4'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4'. 4'-hydroxychalcone: inhibits TNFalpha-induced NF-κB activation; structure in first source | chalcones; phenols | anti-inflammatory agent; antineoplastic agent |
| trospium chloride | trospium chloride : An organic chloride salt of trospium. It is an antispasmodic drug used for the treatment of overactive bladder. | ||
| trans-metanicotine | metanicotine: RN given refers to parent cpd with unspecified isomeric designation | ||
| a 85380 | A 85380: structure given in first source; A-85380 is the S-enantiomer; A-159470 is the R-enantiomer | ||
| ar-r 17779 | AR-R 17779: structure in first source | ||
| 3-(2,4-dimethoxybenzylidene)anabaseine | 3-(2,4-dimethoxybenzylidene)anabaseine: an alpha7nAChR nicotinic receptor agonist | dimethoxybenzene | |
| l 745870 | 3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first source | piperazines | |
| rosmarinic acid | rosemarinic acid: a dimer of caffeic acid isolated from rosemary rosmarinate : The conjugate base of rosmarinic acid; major species at pH 7.3. | carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor |
| 7-demethylsuberosin | 7-demethylsuberosin : A hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata. 7-demethylsuberosin: fucocoumarin derivative of Angelicae dahuricae | hydroxycoumarin | plant metabolite |
| 5,7-dihydroxy-4',6-dimethoxyflavone | 5,7-dihydroxy-4',6-dimethoxyflavone: from Cirsium japonicum D. C. pectolinarigenin : A dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein. | dihydroxyflavone; dimethoxyflavone | plant metabolite |
| su 11248 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist | |
| oxiconazole | oxiconazole : An oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections. oxiconazole: RN given refers to parent cpd(Z)-isomer; structure given in first source | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
| n-methylscopolamine bromide | scopolamine methobromide : A quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide. | ||
| huperzine b | huperzine B: Chinese drug isolated from Huperzia serrata; structure given in first source; also isolated from Phlegmariurus fordii | phenanthrol | |
| tiotropium bromide | tiotropium bromide : An organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. Tiotropium Bromide: A scopolamine derivative and CHOLINERGIC ANTAGONIST that functions as a BRONCHODILATOR AGENT. It is used in the treatment of CHRONIC OBSTRUCTIVE PULMONARY DISEASE. | ||
| tiotropium | tiotropium : A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. | ||
| mimulone | mimulone: structure in first source | ||
| 2,4,2'-trihydroxychalcone | 2,4,2'-trihydroxychalcone: structure in first source | ||
| 4-hydroxylonchocarpin | 4-hydroxylonchocarpin: structure in first source | ||
| isonitrosoacetone | 2-oxopropanal-1-oxime: structure given in first source | ||
| diacetylmonoxime | diacetylmonoxime : A ketoxime obtained via formal condensation of butane-2,3-dione with hydroxylamine. It is a reversible myosin ATPase inhibitor. diacetylmonoxime: used diagnostically for determining urea in blood; structure; myosin ATPase antagonist | ||
| homatropine hydrobromide, (endo-(+-)-isomer) | |||
| ciproxifan | aromatic ketone | ||
| mg 624 | triethyl-(beta-4-stilbenoxyethyl)ammonium: inhibits alpha7 nicotinic receptors; structure in first source | ||
| himbacine | himbacine : A piperidine alkaloid that is decahydronaphtho[2,3-c]furan-1(3H)-one substituted by a methyl group at position 3 and a 2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl group at position 4. It has been isolated from the bark of Australian magnolias. himbacine: muscarine receptor antagonist; RN given refers to (3S-(3alpha,3aalpha,4beta(1E,2(2R*,6S*)),4abeta,8aalpha,9aalpha))-isomer; structure given in first source | gamma-lactone; organic heterotricyclic compound; piperidine alkaloid | muscarinic antagonist |
| fm1 43 | FM1 43: labels motor nerve terminals in an activity-dependent fashion that involves dye uptake by synaptic vesicles that are recycling; structure given in second source | organic bromide salt; pyridinium salt; quaternary ammonium salt; tertiary amine | fluorochrome |
| 5-ia-85380 | aromatic ether | ||
| bis(7)-tacrine | secondary amino compound | apoptosis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent | |
| sabcomeline | sabcomeline: selective for M1 receptors; RN refers to (R,S)-isomer; structure in first source | quinuclidines | |
| cyclophostin | cyclophostin: from Streptomyces lavendulae; structure given in first source | ||
| a 84543 | |||
| azd 0328 | spiro(1-azabicyclo(2.2.2)octane-3,2'(3H)-furo(2,3-b)pyridine): AZD-0328 is the (2'R)-isomer and D-tartrate salt; an alpha7 neuronal nicotinic receptor agonist; structure in first source | ||
| radafaxine | radafaxine: a bupropion metabolite; radafaxine is a (+)-isomer of hydroxybupropion | ||
| pnu-282987 | carbonyl compound; organohalogen compound | ||
| ssr180711 | SSR180711: a selective alpha7 acetylcholine nicotinic receptor (n-AChRs) partial agonist; structure in first source | ||
| phenethylcymserine | phenethylcymserine: structure in first source | ||
| pd 144418 | |||
| ganstigmine | ganstigmine: structure in first source | ||
| ispronicline | ispronicline: a neuronal nicotinic acetylcholine receptor modulator; has antidepressant, neuroprotective, and cognitive effects; structure in first source | ||
| ap 2238 | |||
| cymserine | cymserine: butyrylcholinesterase inhibitor; structure in first source | ||
| memoquin | memoquin: structure in first source | ||
| ac 260584 | 4-(3-(4-butylpiperidin-1-yl)propyl)-7-fluoro-4H-benzo(1,4)oxazin-3-one: structure in first source | ||
| tolserine | tolserine: structure in first source | ||
| pf9601n | |||
| 4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride | |||
| endophenazine a | endophenazine A: a phenazine antibiotic from the arthropod; structure in first source | ||
| caproctamine | caproctamine: an M1 and M3 receptor antagonist; also inhibits acetylcholinesterase; structure in first source | ||
| tert-butyl peroxybenzoate | |||
| huprine y | huprine Y: structure in first source | ||
| pazopanib | pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer. pazopanib: a protein kinase inhibitor | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
| desnitroimidacloprid | desnitroimidacloprid: a nicotinic receptor agonist; structure in first source | ||
| dianicline | dianicline: an alpha4beta2 nicotinic receptor agonist; may be useful as an aid in quitting smoking; structure in first source | ||
| hupc protein, bacteria | hupC protein, Bacteria: from structural operon of Rhizobium leguminosarum bv. viciae; MW 27.9 kDa; has hydrogenase activity; amino acid sequence given in first source | ||
| 77-lh-28-1 | 77-LH-28-1: a CNS penetrant, selective M1 muscarinic receptor agonist, structure in first source | ||
| arisugacin | arisugacin A : An organic heterotetracyclic compound that is 4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione substituted by 3,4-dimethoxyphenyl group at position 9 (the 4aR,6aR,12aS,12bS steroisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase. arisugacin: isolated from Penicillium sp. FO-4259; structure given in first source | aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol | antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite |
| crispine a | crispine A: pyrrolo(2,1-a)isoquinoline alkaloid from Carduus crispus; structure in first source | ||
| batefenterol | batefenterol: a bronchodilator | ||
| 6-chlorotacrine | 6-chlorotacrine: structure given in first source | ||
| 4-Methoxylonchocarpin | chalcones | ||
| PB28 | PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities. | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
| xanthostigmine | xanthostigmine: structure in first source | ||
| montanine | montanine: has anxiolytic, antidepressant, and anticonvulsant activities | ||
| pnu-282987 | |||
| amd 070 | mavorixafor: a derivative of AMD3100; a CXCR4 blocker | aminoquinoline | |
| lipocrine | lipocrine: anti-Alzheimer's drug; structure in first source | ||
| Dihydrotanshinone I | dihydrotanshinone I: extracted from Radix Salviae | abietane diterpenoid | anticoronaviral agent |
| naluzotan | naluzotan: an antidepressant and anti-anxiety agent; structure in first source | ||
| tiotropium bromide | tiotropium bromide hydrate : A hydrate that is the monohydrate form of tiotropium bromide. Used for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. | ||
| aclidinium bromide | aclidinium bromide : A quaternary ammonium salt that is the bromide salt of aclidinium. A muscarinic acetylcholine M3 receptor antagonist, for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD). aclidinium bromide: a long-acting, inhaled antimuscarinic; in phase I trial 8/2008 | organic bromide salt; quaternary ammonium salt | bronchodilator agent; muscarinic antagonist |
| n-methylepibatidine | N-methylepibatidine: structure in first source | ||
| td-4208 | revefenacin: structure in first source | ||
| scopolamine hydrobromide | |||
| sazetidine-a | sazetidine-A: a ligand that desensitizes alpha4beta2 nicotinic acetylcholine receptors without activating them; structure in first source | ||
| ns 9283 | 3-(3-(pyridine-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile: an alpha4beta2 nAChR agonist | ||
| ganodermadiol | ganodermadiol: isolated from Ganoderma lucidum; structure given in first source ganoderol B : A tetracyclic triterpenoid that is lanosta-7,9(11),24-triene which is substituted by hydroxy groups at positions 3 and 27. It has been isolated from several Ganoderma species. | 3beta-sterol; primary allylic alcohol; tetracyclic triterpenoid | antiviral agent; fungal metabolite; hepatoprotective agent |
| lucidenic acid a | lucidenic acid A: isolated from fruiting bodies of Ganoderma lucidum; structure in first source | triterpenoid | |
| 6-methoxydihydrosanguinarine | 6-methoxydihydrosanguinarine: from Corydalis tashiroi (Fumariaceae); structure in first source | ||
| 3-bromocytisine | 3-bromocytisine: structure in first source | ||
| a 803467 | A 803467: an Nav1.8 sodium channel blocker; structure in first source | ||
| alamethicin | Alamethicin: A cyclic nonadecapeptide antibiotic that can act as an ionophore and is produced by strains of Trichoderma viride. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed) | ||
| sp 203 | 3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile: a radioligand for mGlu5 receptor; structure in first source | ||
| lucidenic acid n | lucidenic acid N : A tetracyclic triterpenoid that is 25,26,27-trinorlanost-8-en-24-oic acid substituted by hydroxy groups at positions 3 and 7 and oxo groups at positions 11 and 15 respectively (the 3beta,5alpha,7beta stereoisomer). Isolated from the fruiting bodies of Ganoderma lucidum, it exhibits cytotoxicity against tumour cells. lucidenic acid N: from the dried fruiting bodies of Ganoderma lucidum (polyporaceae); structure in first source | cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid | antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite |
| a 867744 | 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide: positive modulator of alpha7 nicotinic acetylcholine receptor; structure in first source | ||
| tanshinone ii a sodium sulfonate | tanshinone II A sodium sulfonate: has cardioprotective activity; water-soluble derivative of tanshinone II A; isolated from Salvia militiorrhiza; relieves anginal pain; structure | ||
| vu0357017 | |||
| pf 3246799 | |||
| 1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione | |||
| a-582941 | A-582941: nicotinic acetylcholine receptor (alpha7 nAChR) agonist | ||
| ml 137 | |||
| nitd 609 | NITD 609: an antimalarial and coccidiostat; structure in first source | ||
| azd9164 | AZD9164: structure in first source | ||
| evp-6124 | |||
| n,n-diallyl-5-methoxytryptamine | N,N-diallyl-5-methoxytryptamine: structure in first source | tryptamines | |
| ass234 | |||
| ml253 | ML253: structure in first source | ||
| entecavir | benzamides; N-acylpiperidine | ||
| vu0364572 | VU0364572: muscarinic agonist; structure in first source | ||
| ganoderic acid y | ganoderic acid Y: has antiviral activity; isolated from Ganoderma lucidum; structure in first source | triterpenoid | |
| vu0467154 | |||
| imidacloprid | (E)-imidacloprid : The E-isomer of imidacloprid. | imidacloprid; imidazolidines; monochloropyridine | environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
| donecopride | donecopride: a dual serotonin subtype 4 receptor agonist/acetylcholinesterase inhibitor with potential interest for Alzheimer's disease treatment; structure in first source | ||
| clozapine | clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent. | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
| olanzapine | olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4. Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy. | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
| pralidoxime | pralidoxime : A pyridinium ion that is 1-methylpyridinium substituted by a (hydroxyimino)methyl group at position 2. pralidoxime: RN given refers to parent cpd; chloride was minor descriptor (75-80); on-line & Index Medicus search PRALIDOXIME COMPOUNDS (66-80) | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
| norclozapine | N-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. norclozapine: structure given in first source | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
| pyridine-2-aldoxime | pyridine-2-aldoxime: RN given refers to parent cpd | ||
| 2-hydroxyphenazine | phenazines | ||
| asoxime chloride | |||
| pralidoxime chloride | organic chloride salt; pyridinium salt | cholinergic drug; cholinesterase reactivator | |
| discorhabdin l | discorhabdin L: cytotoxic alkaloid from the sponge Latrunculia brevis; structure in first source | ||
| 3-(4-hydroxy-2-methoxybenzylidene)anabaseine | |||
| trimedoxime bromide | Trimedoxime: Cholinesterase reactivator used as an antidote in alkyl phosphate poisoning. | ||
| obidoxime chloride |