Target type: molecularfunction
Catalysis of the hydrolysis of peptide bonds in a polypeptide chain by a catalytic mechanism that involves a catalytic triad consisting of a serine nucleophile that is activated by a proton relay involving an acidic residue (e.g. aspartate or glutamate) and a basic residue (usually histidine). [https://www.ebi.ac.uk/merops/about/glossary.shtml#CATTYPE]
Serine-type peptidase activity is a catalytic activity that involves the hydrolysis of peptide bonds. This type of enzymatic activity is crucial in a wide range of biological processes, including protein degradation, signal transduction, and immune responses. The mechanism of serine-type peptidase activity involves the formation of a tetrahedral intermediate, which is stabilized by the catalytic triad of amino acids, typically consisting of serine, histidine, and aspartate. The serine residue in the active site acts as a nucleophile, attacking the carbonyl carbon of the peptide bond. The histidine residue acts as a base, deprotonating the serine hydroxyl group, and the aspartate residue stabilizes the histidine residue. The resulting tetrahedral intermediate is then broken down, releasing the carboxyl-terminal portion of the peptide and leaving the amino-terminal portion bound to the enzyme. This process is repeated until the peptide is completely hydrolyzed. Serine peptidases are found in all living organisms and are classified into different families based on their structural features and catalytic mechanisms. Some examples of serine peptidases include chymotrypsin, trypsin, and elastase, which play important roles in digestion, and subtilisin, which is used in various industrial applications. Serine peptidases are also involved in disease processes, such as cancer and Alzheimer's disease, making them targets for drug development. '
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| Protein | Definition | Taxonomy |
|---|---|---|
| ATP-dependent Clp protease proteolytic subunit | An ATP-dependent Clp protease proteolytic subunit that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A6G7] | Escherichia coli K-12 |
| Rhomboid protease GlpG | A rhomboid protease GlpG that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P09391] | Escherichia coli K-12 |
| Dipeptidyl peptidase 9 | [no definition available] | Bos taurus (cattle) |
| Trypsin-3 | A trypsin-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35030] | Homo sapiens (human) |
| Chymase | A chymase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23946] | Homo sapiens (human) |
| Trypsin-2 | A trypsin-2 that is encoded in the genome of human. [PRO:DAN, UniProtKB:P07478] | Homo sapiens (human) |
| Suppressor of tumorigenicity 14 protein | A suppressor of tumorigenicity 14 protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y5Y6] | Homo sapiens (human) |
| Kallikrein-4 | A kallikrein-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y5K2] | Homo sapiens (human) |
| N-acetylated-alpha-linked acidic dipeptidase 2 | An N-acetylated-alpha-linked acidic dipeptidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y3Q0] | Homo sapiens (human) |
| Kallikrein-5 | A kallikrein-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y337] | Homo sapiens (human) |
| Dipeptidyl peptidase 2 | A dipeptidyl peptidase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UHL4] | Homo sapiens (human) |
| Transmembrane protease serine 4 | A transmembrane protease serine 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRS4] | Homo sapiens (human) |
| Tryptase gamma | A tryptase gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRR2] | Homo sapiens (human) |
| Tryptase delta | A tryptase delta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BZJ3] | Homo sapiens (human) |
| Dipeptidyl peptidase 9 | A dipeptidyl peptidase 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86TI2] | Homo sapiens (human) |
| Dipeptidyl peptidase 8 | A dipeptidyl peptidase 8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6V1X1] | Homo sapiens (human) |
| Tryptase alpha/beta-1 | A tryptase alpha/beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15661] | Homo sapiens (human) |
| Prolyl endopeptidase FAP | A prolyl endopeptidase FAP that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12884] | Homo sapiens (human) |
| Hepatocyte growth factor activator | A hepatocyte growth factor activator that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q04756] | Homo sapiens (human) |
| Kallikrein-7 | A kallikrein-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49862] | Homo sapiens (human) |
| Prolyl endopeptidase | A prolyl endopeptidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48147] | Homo sapiens (human) |
| Trypsin-3 | A trypsin-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35030] | Homo sapiens (human) |
| Dipeptidyl peptidase 4 | A dipeptidyl peptidase 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P27487] | Homo sapiens (human) |
| Myeloblastin | A myeloblastin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24158] | Homo sapiens (human) |
| Chymase | A chymase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23946] | Homo sapiens (human) |
| Tryptase beta-2 | A tryptase beta-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20231] | Homo sapiens (human) |
| Acrosin | An acrosin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10323] | Homo sapiens (human) |
| Furin | A furin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P09958] | Homo sapiens (human) |
| Coagulation factor VII | A coagulation factor VII that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08709] | Homo sapiens (human) |
| Cathepsin G | A cathepsin G that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08311] | Homo sapiens (human) |
| Trypsin-2 | A trypsin-2 that is encoded in the genome of human. [PRO:DAN, UniProtKB:P07478] | Homo sapiens (human) |
| Prostate-specific antigen | A prostate-specific antigen that is encoded in the genome of human. [PRO:CNA, UniProtKB:P07288] | Homo sapiens (human) |
| Serine protease hepsin | A serine protease hepsin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05981] | Homo sapiens (human) |
| Plasminogen | A plasminogen that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00747] | Homo sapiens (human) |
| Complement factor D | A complement factor D that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00746] | Homo sapiens (human) |
| Complement C1r subcomponent | A complement C1r subcomponent that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00736] | Homo sapiens (human) |
| Transmembrane protease serine 2 | A transmembrane protease serine 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15393] | Homo sapiens (human) |
| Compound | Definition | Classes | Roles |
|---|---|---|---|
| gallic acid | gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
| aminocaproic acid | 6-aminohexanoic acid : An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator. Aminocaproic Acid: An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties. | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
| niacinamide | nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
| 3,4-dichloroisocoumarin | 3,4-dichloroisocoumarin : A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor. | isocoumarins; organochlorine compound | geroprotector; serine protease inhibitor |
| 3-nitrobenzeneboronic acid | |||
| 5-(n,n-hexamethylene)amiloride | 5-(N,N-hexamethylene)amiloride : A member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring. 5-(N,N-hexamethylene)amiloride: inhibitor of Na+-H+ exchange; has anti-HIV-1 activity | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
| acetazolamide | Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337) | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| amodiaquine | amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties. | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
| 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 |
| benzamide | benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. | benzamides | |
| benzamidine | benzamidine : A carboxamidine that is benzene carrying an amidino group. benzamidine: RN given refers to parent cpd | benzenes; carboxamidine | serine protease inhibitor |
| 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 | |
| diminazene | diminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group. Diminazene: An effective trypanocidal agent. | carboxamidine; triazene derivative | antiparasitic agent; trypanocidal drug |
| benzo(b)thiophene-2-boronic acid | benzo(b)thiophene-2-boronic acid: inhibits AmpC beta-lactamase; structure in first source | ||
| bis(5-amidino-2-benzimidazolyl)methane | bis(5-amidino-2-benzimidazolyl)methane: aromatic diamidine which has a significant suppressive effect on the cytopathology & yield of respiratory synctial (RS) virus; RN given refers to parent cpd | ||
| camostat | camostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients. | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
| carmofur | organohalogen compound; pyrimidines | ||
| 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 |
| 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 |
| diazoxide | diazoxide : A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies. Diazoxide: A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group. | benzothiadiazine; organochlorine compound; sulfone | antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent |
| dichlorphenamide | Dichlorphenamide: A carbonic anhydrase inhibitor that is used in the treatment of glaucoma. diclofenamide : A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma. | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
| disulfiram | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor | |
| 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 |
| emodin | emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies. | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
| ethoxzolamide | ethoxzolamide : A sulfonamide that is 1,3-benzothiazole-2-sulfonamide which is substituted by an ethoxy group at position 6. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic. Ethoxzolamide: A carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia. | aromatic ether; benzothiazoles; sulfonamide | antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| fluphenazine | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug | |
| fluspirilene | Fluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia. | diarylmethane | |
| gabexate | Gabexate: A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin. | benzoate ester | |
| 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 |
| hydroxyzine | hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative. | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
| loperamide | loperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease. Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally. | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
| mefloquine hydrochloride | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4. | organofluorine compound; piperidines; quinolines; secondary alcohol | |
| metformin | metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289) | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
| methazolamide | Methazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma. | sulfonamide; thiadiazoles | |
| n(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide | N(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide: thrombin inhibitor; RN given refers to parent cpd without isomeric designation | ||
| nafamostat | nafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplastic | benzoic acids; guanidines | |
| netropsin | Netropsin: A basic polypeptide isolated from Streptomyces netropsis. It is cytotoxic and its strong, specific binding to A-T areas of DNA is useful to genetics research. | ||
| niclosamide | niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections. Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48) | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
| pentamidine | pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects. | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
| phenylmethylsulfonyl fluoride | phenylmethanesulfonyl fluoride : An acyl fluoride with phenylmethanesulfonyl as the acyl group. Phenylmethylsulfonyl Fluoride: An enzyme inhibitor that inactivates IRC-50 arvin, subtilisin, and the fatty acid synthetase complex. | acyl fluoride | serine proteinase inhibitor |
| 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 |
| pyrimethamine | Maloprim: contains above 2 cpds | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| imatinib | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor | |
| sulfaguanidine | sulfaguanidine : A sulfonamide incorporating a guanidine moiety used to block the synthesis of folic acid; mostly used in veterinary medicine Sulfaguanidine: A sulfanilamide antimicrobial agent that is used to treat enteric infections. | sulfonamide antibiotic | antiinfective agent |
| thiethylperazine | thiethylperazine : A member of the class of phenothiazines that is perazine substituted by a ethylsulfanyl group at position 2. Thiethylperazine: A dopamine antagonist that is particularly useful in treating the nausea and vomiting associated with anesthesia, mildly emetic cancer chemotherapy agents, radiation therapy, and toxins. This piperazine phenothiazine does not prevent vertigo or motion sickness. (From AMA Drug Evaluations Annual, 1994, p457) | N-methylpiperazine; phenothiazines | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
| tranexamic acid | Tranexamic Acid: Antifibrinolytic hemostatic used in severe hemorrhage. | amino acid | |
| triamterene | triamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema. Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. | pteridines | diuretic; sodium channel blocker |
| triflupromazine | triflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position. Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic. | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
| trimethoprim | trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported. | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
| trimetrexate | Trimetrexate: A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect. | ||
| wb 4101 | N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist. | aromatic ether; benzodioxine; secondary amino compound | alpha-adrenergic antagonist |
| cycloheximide | cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis. | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
| chlorphenoxamine | chlorphenoxamine: minor descriptor (66-84); on-line & Index Medicus search ETHYLAMINES (66-84); RN given refers to parent cpd | diarylmethane | anticoronaviral agent |
| triparanol | Triparanol: Antilipemic agent with high ophthalmic toxicity. According to Merck Index, 11th ed, the compound was withdrawn from the market in 1962 because of its association with the formation of irreversible cataracts. | stilbenoid | anticoronaviral agent |
| isatoic anhydride | isatoic anhydride: structure given in first source | ||
| 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 |
| emetine | emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS. | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
| isocarbostyril | isoquinolinone : An isoquinoline containing one or more oxo groups. | isoquinolines | |
| isoquinoline-1,3,4-trione | isoquinoline-1,3,4-trione: structure in first source | ||
| flavone | flavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. flavone: RN given refers to unlabeled cpd; structure given in first source | flavones | metabolite; nematicide |
| jkl 1073a | 8-oxoberberine: structure given in first source | ||
| 1,2-Dihydroquinolin-2-imine | aminoquinoline | ||
| dibrompropamidine | aromatic ether | ||
| Berberine chloride (TN) | organic molecular entity | ||
| 2-aminobenzimidazole | 2-aminobenzimidazole : A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. 2-aminobenzimidazole: metabolite of benomyl; RN given refers to parent cpd | benzimidazoles | marine xenobiotic metabolite |
| dichlorobenzyl alcohol | 2,4-dichlorobenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 2 and 4 are replaced by chlorines. | benzyl alcohols; dichlorobenzene | antiseptic drug |
| phenylguanidine | phenylguanidine: RN given refers to parent cpd | ||
| amiloride | amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid. Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705) | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
| acetophenazine | acetophenazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2. acetophenazine: major descriptor (73-85); minor descriptor (64-72); on-line search PHENOTHIAZINES (64-85); Index Medicus search PHENOTHIAZINES (64-72); ACETOPHENAZINE (73-85); RN given refers to parent cpd | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines | phenothiazine antipsychotic drug |
| palmatine | burasaine: structure in first source | berberine alkaloid; organic heterotetracyclic compound | plant metabolite |
| vidarabine | adenine arabinoside : A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond. | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
| 4-nitrophenyl 4'-guanidinobenzoate | 4-nitrophenyl 4'-guanidinobenzoate: kallikrein substrate; acrosin antagonist in sperm; serine esterase inhibitor; RN given refers to parent cpd; structure | ||
| ribavirin | Rebetron: Rebetron is tradename | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| piritrexim | piritrexim: RN given refers to parent cpd; structure given in first source | ||
| quinpirole | quinpirole : A pyrazoloquinoline that is (4aR,8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline substituted by a propyl group at position 5. It acts as a dopamine agonist. Quinpirole: A dopamine D2/D3 receptor agonist. | pyrazoloquinoline | dopamine agonist |
| mifepristone | Mifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME. | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
| 2'-carbomethoxyphenyl 4-guanidinobenzoate | 2'-carbomethoxyphenyl 4-guanidinobenzoate: potent inhibitor of the sperm enzyme acrosin | ||
| gemcitabine | gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
| baicalin | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug | |
| epigallocatechin gallate | (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis) | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
| 2,4-diaminoquinazoline | |||
| hexamidine | hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol. | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
| aloxistatin | aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide. aloxistatin: a membrane-permeable cysteine protease inhibitor | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
| epiroprim | epiroprim: an analog of trimethoprim with improved antimicrobial and pharmacokinetic properties; structure given in first source | ||
| 4-hydroxyquinoline | 4-quinolone : A quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4. | monohydroxyquinoline; quinolone | |
| malvidin chloride | |||
| ubenimex | ubenimex: growth inhibitor | ||
| hesperetin | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite | |
| methotrimeprazine | methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively. Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604) | phenothiazines; tertiary amine | anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist |
| leupeptin | aldehyde; tripeptide | bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor | |
| sori 8895 | SoRI 8895: RN in first source | ||
| tosyllysine chloromethyl ketone | Tosyllysine Chloromethyl Ketone: An inhibitor of SERINE ENDOPEPTIDASES. Acts as an alkylating agent and is known to interfere with the translation process. | sulfonic acid derivative | |
| 2,6-dimethylphenylphthalimide | 2,6-dimethylphenylphthalimide: enhances alpha-tumor necrosis factor production; structure in first source | ||
| 1-aminoisoquinoline | |||
| 2-amino-1-methylbenzimidazole | 2-amino-1-methylbenzimidazole: structure in first source | benzimidazoles | |
| p-Aminobenzamidine dihydrochloride | organic molecular entity | ||
| benzamidine hydrochloride | |||
| 5-chloroindole-2-carboxylate | 5-chloroindole-2-carboxylate: N-methyl-D-aspartate glycine site antagonist | indolyl carboxylic acid | |
| eriocitrin | eriocitrin : A disaccharide derivative that consists of eriodictyol substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. eriocitrin: structure in first source | 3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone | antioxidant |
| 5-chloroindole | 5-chloroindole: a positive allosteric modulator of the 5-HT3 receptor | ||
| 6-chloroindole | indoles | ||
| mci 9038 | peptide | ||
| lopinavir | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor | |
| dehydropregnenolone acetate | dehydropregnenolone acetate: structure | steroid ester | |
| diprotin a | peptide | ||
| zpck | ZPCK: alkylates histidine residue at active center of bovine chymotrypsin | ||
| sivelestat | sivelestat: inhibitor of neutrophil elastase; structure given in first source | N-acylglycine; pivalate ester | |
| sepimostate mesilate | sepimostate mesilate: used in therapy of pancreatitis; structure given in first source | ||
| territrem b | territrem B: tremorgenic mycotoxin from Aspergillus terreus; RN given refers to (4aR-(4aalpha,6abeta,12aalpha,12bbeta))-isomer | ||
| dx 9065 | |||
| efegatran | efegatran: RN & structure given in first source; RN given refers to parent cpd (D)-isomer | ||
| n-benzyloxycarbonylprolylprolinal | N-benzyloxycarbonylprolylprolinal: inhibitor of prolyl endopeptidase | ||
| 5-amidinoindole | |||
| 4-amino-n-(2,6-dimethylphenyl)phthalimide | 4-amino-N-(2,6-dimethylphenyl)phthalimide: a potent anticonvulsant against maximal electroshock-induced seizures; structure given in first source | ||
| skullcapflavone ii | scullcapflavone II : A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7, 8 and 6' and hydroxy groups at positons 5 and 2' respectively. skullcapflavone II: cytotoxic principle from Scutellariae radix; structure given in first source | dihydroxyflavone; tetramethoxyflavone | anti-asthmatic drug; plant metabolite |
| 5-(4-piperidyl)isoxazol-3-ol | 5-(4-piperidyl)isoxazol-3-ol: structure given in first source; a partial agonist at the GABA-A receptor on cultured hippocampal neurones; antagonizes muscimol-stimulated benzodiazepine binding to rat cortical membranes | piperidines | |
| n-carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amide | N-carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amide: fluorogenic substrate for post-proline cleaving enzyme | ||
| n(alpha)-tosyl-(3-amidinophenyl)alanine piperidide | N(alpha)-(4-toluenesulfonyl)-3-amidinophenylalanylpiperidine: binds to thrombin & trypsin; structure given in first source | ||
| tertiary-butyloxycarbonyl-phenylalanyl-seryl-arginyl-4-methylcoumarin-7-amide | |||
| ono 3307 | ONO 3307: RN given refers to parent cpd; structure given in first source | ||
| foy 251 | 4-(4-guanidinobenzoyloxy)phenylacetic acid: RN given refers to monomethanesulfonate | ||
| n-dansyl-3-aminobenzeneboronic acid | N-dansyl-3-aminobenzeneboronic acid: potent serine protease inhibitor; fluorescent boronic acid which reversibly binds to bacterial cell walls; structure given in first source | ||
| 5-chlorooxindole | 5-chlorooxindole: structure in first source | ||
| 4-guanidinobenzoate | 4-guanidinobenzoate: RN given refers to parent cpd 4-guanidinobenzoic acid : Benzoic acid substituted at the para position by a guanidino group. | benzoic acids; guanidines | |
| territrem c | territrem C: tremorgenic mycotoxin from Aspergillus terreus; MF C28-H32-O9; structure given in first source | ||
| 1-hydroxy-2-methylanthraquinone | 1-hydroxy-2-methyl-9,10-anthraquinone : A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by a hydroxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. 1-hydroxy-2-methylanthraquinone: from root of Prismatomeris tetrandra | monohydroxyanthraquinone | plant metabolite |
| tanshinone ii a | tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source | abietane diterpenoid | |
| n-valyltryptophan | N-valyltryptophan: RN given refers to (L)-isomer | peptide | |
| boswellic acid | boswellic acid: ursane type; RN given refers to (3alpha,4beta)-isomer; active principle of salai guggal; see also record for salai guggal | triterpenoid | |
| carbobenzyloxyleucyl-tyrosine chloromethyl ketone | |||
| jtp 4819 | JTP 4819: a prolyl endopeptidase inhibitor; structure given in first source | ||
| melagatran | azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor | |
| pefabloc | |||
| beta-naphthamidine | beta-naphthamidine: RN given refers to parent cpd | ||
| razaxaban | razaxaban: structure in first source | ||
| 1-(1-phenylcyclopentyl)methylamine | cyclopentanes; primary aliphatic amine | ||
| dabigatran | dabigatran : An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism. Dabigatran: A THROMBIN inhibitor which acts by binding and blocking thrombogenic activity and the prevention of thrombus formation. It is used to reduce the risk of stroke and systemic EMBOLISM in patients with nonvalvular atrial fibrillation. | aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines | anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor |
| nutlin 3 | stilbenoid | ||
| n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide | indisulam : A chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development. N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide: structure in first source | chloroindole; organochlorine compound; sulfonamide | antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| 1-methylpropyl-2-imidazolyl disulfide | 1-methylpropyl-2-imidazolyl disulfide: a thioredoxin inhibitor with antineoplastic activity | imidazoles | |
| anisomycin | (-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
| berbamine | bisbenzylisoquinoline alkaloid; isoquinolines | ||
| homoharringtonine | Homoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC. omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia. | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
| 2-oxindole | 2-oxindole: RN given refers to parent cpd; structure indolin-2-one : An indolinone carrying an oxo group at position 2. | gamma-lactam; indolinone | |
| aromoline | aromoline: from roots of Stephania cepharantha; structure given in first source | ||
| bortezomib | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor | |
| naringenin | (S)-naringenin : The (S)-enantiomer of naringenin. | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
| tosylphenylalanyl chloromethyl ketone | N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone. Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process. | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
| 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 | |
| cyanidin 3-o-beta-d-glucopyranoside | cyanidin 3-O-beta-D-glucoside : An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3. | anthocyanin cation; beta-D-glucoside; monosaccharide derivative | metabolite |
| benzamidine | carboxamidinium ion | ||
| trichostatin a | trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
| arachidonic acid | arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid. icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14. | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
| resveratrol | trans-resveratrol : A resveratrol in which the double bond has E configuration. | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
| palmitoleic acid | hexadecenoate : A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | hexadec-9-enoic acid | algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite |
| oleic acid | oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed) | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
| eicosapentaenoic acid | all-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17. icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds. | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
| valine-pyrrolidide | valine-pyrrolidide: structure given in first source | ||
| 1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamide | indolecarboxamide | anticoronaviral agent | |
| hirsutanone | hirsutanone: from methanolic extract of the aerial parts of Viscum cruciatum (Viscaceae) | diarylheptanoid | |
| caffeic acid | trans-caffeic acid : The trans-isomer of caffeic acid. | caffeic acid | geroprotector; mouse metabolite |
| thiothixene | N-methylpiperazine | anticoronaviral agent | |
| 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 | |
| 2-(2,6-diisopropylphenyl)-5-amino-1h-isoindole-1,3-dione | 2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione: an antineoplastic agent; structure in first source | ||
| meso-1,2-diphenylethylenediamine, (r-(r*,s*))-isomer | diphenylethylenediamine: structure in first source | ||
| 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 | |
| 2-(4-chlorophenyl)guanidine | organochlorine compound | ||
| S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate | acetylenic compound; furans; organofluorine compound; thioester; triazoles | ||
| toremifene | Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue. | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| telaprevir | cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines | antiviral drug; hepatitis C protease inhibitor; peptidomimetic | |
| dasatinib | dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN). N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
| n-(n-(phenyl)butyryl-l-prolyl)pyrrolidine | N-(N-(phenyl)butyryl-L-prolyl)pyrrolidine: inhibits prolyl endopeptidase; structure given in first source | ||
| wogonoside | wogonin 7-O-beta-D-glucuronide : The glycosyloxyflavone which is the 7-O-glucuronide of wogonin. wogonoside: from Scutellaria baicalensis; structure in first source | beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative | |
| silybin | |||
| N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide | aromatic amide; furans | anticoronaviral agent | |
| sitagliptin | sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity. | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
| imd 0354 | N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first source | benzamides | |
| ganhuangenin | ganhuangenin: flavonoid from Scutellaria rehderiana; lipid peroxide antagonist | ||
| 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 | |
| 3,7-dimethoxy-5,3',4'-trihydroxyflavone | 3,7-dimethoxy-5,3',4'-trihydroxyflavone: isolated from Veronia eremophila; structure given in first source 3',4',5-trihydroxy-3,7-dimethoxyflavone : A dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin. | dimethoxyflavone; trihydroxyflavone | EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
| 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 | |
| linoleic acid | linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed) | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
| 8,11,14-eicosatrienoic acid | 8,11,14-Eicosatrienoic Acid: A 20-carbon-chain fatty acid, unsaturated at positions 8, 11, and 14. It differs from arachidonic acid, 5,8,11,14-eicosatetraenoic acid, only at position 5. all-cis-icosa-8,11,14-trienoic acid : An icosatrienoic acid having three cis double bonds at positions 8, 11 and 14. | fatty acid 20:3; long-chain fatty acid | fungal metabolite; human metabolite; nutraceutical |
| 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 | |
| gamma-linolenic acid | gamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12. gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed) | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
| alpha-linolenic acid | linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid. linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins. | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
| genistein | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor | |
| amentoflavone | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite | |
| baicalein | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger | |
| wogonin | wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. wogonin: structure in first source | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
| ginkgolic acid | hydroxybenzoic acid | ||
| savinin | savinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2. savinin: a lignan from Pterocarpus santalinus inhibits tumor necrosis factor-alpha production and T cell proliferation; structure in first source | benzodioxoles; gamma-lactone; lignan | anti-inflammatory agent; anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite; T-cell proliferation inhibitor |
| dothiepin hydrochloride | Dothiepin: A tricyclic antidepressant with some tranquilizing action. | dothiepin | |
| camostat mesylate | methanesulfonate salt | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor | |
| benzyloxycarbonyl-phe-ala-fluormethylketone | cathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1). | ||
| 11,14,17-eicosatrienoate | all-cis-icosa-11,14,17-trienoic acid : An icosatrienoic acid having three cis- double bonds at positions 11, 14 and 17. | fatty acid 20:3; omega-3 fatty acid | |
| hydroxygenkwanin | hydroxygenkwanin: isolated from leaves of Daphne genkwa | ether; flavonoids | |
| 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one: isolated from the Chinese herb Scutellariae radix oroxylin A : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6. | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| guttiferone a | guttiferone A: antibacterial from Clusiaceae family; structure in first source | ||
| 3,7-dihydroxyflavone | 3,7-dihydroxyflavone: structure in first source 7-hydroxyflavonol : Any flavonol carrying a 7-hydroxy substituent. | hydroxyflavan | |
| enalaprilat anhydrous | enalaprilat (anhydrous) : Enalapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid. Enalaprilat is an angiotensin-converting enzyme (ACE) inhibitor and is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is given by intravenous injection, usually as the dihydrate. enalaprilat dihydrate : The dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection. Enalaprilat: The active metabolite of ENALAPRIL and one of the potent, intravenously administered, ANGIOTENSIN-CONVERTING ENZYME INHIBITORS. It is an effective agent for the treatment of essential hypertension and has beneficial hemodynamic effects in heart failure. The drug produces renal vasodilation with an increase in sodium excretion. | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| paepalantine | paepalantine: an isocoumarin from Paepalanthus vellozioides; structure given in first source | ||
| broussochalcone a | broussochalcone A: RN given for (E)-isomer; inhibits neutrophil respiratory burst; structure in first source | ||
| eicosa-11,14-dienoic acid, (z,z)-isomer | (11Z,14Z)-icosadienoic acid : An icosadienoic acid with double bonds at positions 11 and 14 (both Z). icosadienoic acid : A 20-carbon, polyunsaturated fatty acid having two double bonds at unspecified positions. | icosadienoic acid | metabolite |
| rupintrivir | rupintrivir: a rhinovirus 3C protease inhibitor | ||
| manzamine a | manzamine A : An alkaloid of the class of beta-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). manzamine A: RN given refers to (1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*)-isomer; RN for cpd without isomeric designation not avail 12/92 | alkaloid; beta-carbolines; isoquinolines | animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite |
| gabexate methanesulfonate | benzoate ester; guanidines; methanesulfonate salt | ||
| bms 740808 | 1-(3-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-6-(2'-(3-hydroxy-N-pyrrolidinyl)methyl-(1,1')-biphen-4-yl)-1,4,5,6-tetrahydropyrazolo-(3,4-c)-pyridin-7-one: structure in first source | ||
| vildagliptin | amino acid amide | ||
| talabostat | talabostat: an antineoplastic agent; structure in first source | ||
| meso-1,2-diphenylethylenediamine | meso-1,2-diphenylethylenediamine: structure | ||
| 5-Chloro-3-pyridinyl 2-furoate | carboxylic ester | anticoronaviral agent | |
| n,n-(4-xylylidene)bisaminoguanidine | N,N-(4-xylylidene)bisaminoguanidine: RN in Chemline for di-HCl: 7044-24-8; RN for unspecified HCl: 62580-72-7 N,N'-(p-xylylidene)bis(aminoguanidine) : A guanidine derivative comprised of two carbamimidamido (guanidino) groups, each linked via one of their amino nitrogens to the imino nitrogens of 1,4-phenylenedimethanimine. | ||
| sulphostin | sulphostin: isolated from Streptomyces; structure in first source | ||
| nvp-dpp728 | |||
| bms-262084 | BMS-262084: an azetidinone-based tryptase inhibitor; structure in first source | ||
| 11-keto-boswellic acid | |||
| rivaroxaban | rivaroxaban : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery. Rivaroxaban: A morpholine and thiophene derivative that functions as a FACTOR XA INHIBITOR and is used in the treatment and prevention of DEEP-VEIN THROMBOSIS and PULMONARY EMBOLISM. It is also used for the prevention of STROKE and systemic embolization in patients with non-valvular ATRIAL FIBRILLATION, and for the prevention of atherothrombotic events in patients after an ACUTE CORONARY SYNDROME. | aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| uk-356,202 | UK-356,202: structure in first source | ||
| n-alpha-(2,4,6-triisopropyl-phenylsulfonyl)-3-amidino-(l)-phenyl-alanine-4-ethoxycarbonyl-piperazide hydrochloride | |||
| dpc 423 | |||
| gw 813893 | |||
| l 374087 | |||
| darexaban | |||
| l-873724 | L-873724: a selective inhibitor of cathepsin K; structure in first source | ||
| lb 30057 | |||
| (2s,3as,7as)-1-(((r,r)-2-phenylcyclopropyl)carbonyl)-2-((thiazolidin-3-yl)carbonyl)octahydro-1h-indole | S 17092-1: structure in first source; inhibits proline endopeptidase | ||
| pp-33 | |||
| linagliptin | linagliptin : A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes. Linagliptin: A purine and quinazoline derivative that functions as an INCRETIN and DIPEPTIDYL-PEPTIDASE IV INHIBTOR. It is used as a HYPOGLYCEMIC AGENT in the treatment of TYPE II DIABETES MELLITUS. | aminopiperidine; quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
| phenobarbital sodium | 2-(phosphonomethyl)pentanedioic acid: an N-acetylated alpha-linked acidic dipeptidase (NAALADase) antagonist | ||
| alanylpyrrolidine-boronic acid | |||
| darexaban glucuronide | darexaban glucuronide: structure in first source | ||
| apixaban | aromatic ether; lactam; piperidones; pyrazolopyridine | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor | |
| a-317567 | A-317567: acid sensing ion channel blocker; 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 |
| betrixaban | betrixaban : A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade. betrixaban: a highly potent, selective, and orally efficacious factor Xa inhibitor; structure in first source | benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| sotrastaurin | sotrastaurin : A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients. sotrastaurin: a potent protein kinase C-selective inhibitor; structure in first source | indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines | anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent |
| saracatinib | aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound | anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent | |
| rpr 120844 | |||
| n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide | boceprevir : A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection. | tripeptide; ureas | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
| m-chlorophenylguanidine | |||
| anabaenopeptin b | anabaenopeptin B: from cyanobacteria Planktothrix (Oscillatoria) rubescens | ||
| dysinosin a | dysinosin A: structure in first source | ||
| sclerotiamide | sclerotiamide: related to the paraherquamides; isolated from the sclerotia of Aspergillus sclerotiorum; structure given in first source | ||
| acetyl-11-ketoboswellic acid | acetyl-11-ketoboswellic acid: a 5-lipoxygenase inhibitor; structure given in first source | triterpenoid | |
| kyp 2047 | |||
| uamc00039 | UAMC00039: dipeptidyl peptidase II inhibitor; structure in first source | ||
| bms 477118 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent | |
| dutogliptin | |||
| np 031112 | tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy. tideglusib: an NSAID and neuroprotective agent | benzenes; naphthalenes; thiadiazolidine | anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| alogliptin | alogliptin : A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes. alogliptin: structure in first source | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
| gosogliptin | amino acid amide | ||
| carfilzomib | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor | |
| 2-(2,6-diisopropylphenyl)-5-hydroxy-1h-isoindole-1,3-dione | 2-(2,6-diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione: structure in first source | ||
| 5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine | 5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine: structure in first source halicin : A member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties. | 1,3-thiazoles; C-nitro compound; organic sulfide; primary amino compound; thiadiazoles | antibacterial agent; c-Jun N-terminal kinase inhibitor |
| teneligliptin | amino acid amide | ||
| mdv 3100 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent | |
| Benzotriazol-1-yl 1H-indole-5-carboxylate | indolyl carboxylic acid | anticoronaviral agent | |
| trelagliptin | trelagliptin: a dipeptidyl peptidase IV inhibitor | benzenes; nitrile | |
| 5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate | carboxylic ester | anticoronaviral agent | |
| (5-Chloropyridin-3-yl) 1H-indole-5-carboxylate | indolyl carboxylic acid | anticoronaviral agent | |
| 5-Chloropyridin-3-yl 1H-indole-2-carboxylate | indolyl carboxylic acid | anticoronaviral agent | |
| beta-Elemonic acid | beta-elemonic acid: extracted from Boswellia carterii | triterpenoid | |
| mk-7009 | vaniprevir : An azamacrocyclic compound that is a hepatitis C virus (HCV) NS3/4A protease inhibitor which is approved for the treatment of hepatitis C virus infections in Japan. vaniprevir: inhibits hepatitis C virus NS3/4a protease | azamacrocycle; carbamate ester; cyclopropanes; N-sulfonylcarboxamide; pyrrolidinecarboxamide | antiviral drug; hepatitis C protease inhibitor |
| delanzomib | C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative | antineoplastic agent; apoptosis inducer; proteasome inhibitor | |
| GRL-0617 | GRL-0617 : A benzamide resulting from the formal condensation of the carboxy group of 5-amino-2-methylbenzoic acid with the amino group of (1R)-1-(naphthalen-1-yl)ethan-1-amine. It is a potent noncovalent inhibitor (IC50 = 600 nM) of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro). | benzamides; naphthalenes; secondary carboxamide; substituted aniline | anticoronaviral agent; protease inhibitor |
| (5-Chloropyridin-3-yl) 1H-indole-4-carboxylate | indolyl carboxylic acid | anticoronaviral agent | |
| 6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile | 6-aminopurines | ||
| 6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)-2-purinecarbonitrile | 6-aminopurines | ||
| 9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile | imidazoles | ||
| KOM70144 | KOM70144 : A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively). | acetamides; benzamides; naphthalenes; secondary carboxamide | anticoronaviral agent; protease inhibitor |
| grassystatin a | grassystatin A: isolated from a cyanobacterium, identified as Lyngbya cf.; structure in first source | ||
| anagliptin | anagliptin: anagliptin hydrochloride salt is the active compound | amino acid amide | |
| mk-3102 | pyrrolopyrazole | ||
| N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| rpx7009 | RPX7009: a beta-lactamase inhibitor; structure in first source | ||
| s 8932 | aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine | anticoronaviral agent; antiviral drug; prodrug | |
| nn 414 | NN 414: a hypoglycemic agent with insulin release modulating and potassium channel activating activities; structure in first source | ||
| N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide | N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-cyclohexyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.53 muM). | aldehyde; indolecarboxamide; oligopeptide; pyrrolidin-2-ones; secondary carboxamide | anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| molnupiravir | molnupiravir : A nucleoside analogue that is N(4)-hydroxycytidine in which the 5'-hydroxy group is replaced by a (2-methylpropanoyl)oxy group. It is the prodrug of the active antiviral ribonucleoside analog N(4)-hydroxycytidine (EIDD-1931), has activity against a number of RNA viruses including SARS-CoV-2, MERS-CoV, and seasonal and pandemic influenza viruses. It is currently in phase III trials for the treatment of patients with COVID-19. molnupiravir: prodrug that’s metabolized into N4-hydroxycytidine (NHC), a ribonucleoside analog | isopropyl ester; ketoxime; nucleoside analogue | anticoronaviral agent; antiviral drug; prodrug |
| 3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | 3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-fluoro-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.72 muM). | aldehyde; indolecarboxamide; monofluorobenzenes; oligopeptide; pyrrolidin-2-ones; secondary carboxamide | anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |