Target type: biologicalprocess
Any process pertinent to the generation and maintenance of rhythms in the physiology of an organism. [GOC:jid]
Rhythmic processes are biological events that occur at regular intervals. These processes are driven by internal biological clocks, also known as circadian rhythms. These clocks are endogenous, meaning they are generated within the organism itself, and are synchronized with environmental cues like light and darkness. The most well-known example of a rhythmic process is the sleep-wake cycle, which is regulated by the circadian clock. However, rhythmic processes are not limited to sleep. Many other biological functions, including hormone secretion, body temperature, and cellular metabolism, also exhibit cyclical patterns. The biological basis of rhythmic processes lies in the intricate interplay of molecular feedback loops. These loops involve a network of genes, proteins, and signaling pathways that interact to create oscillating patterns of gene expression and protein activity. These oscillations drive the cyclical nature of rhythmic processes. The precise mechanisms underlying the regulation of different rhythmic processes can vary, but the basic principles of molecular feedback loops and synchronization with environmental cues remain consistent. Rhythmic processes are essential for maintaining homeostasis, optimizing physiological function, and adapting to environmental changes. Disruption of rhythmic processes, as seen in shift work or jet lag, can lead to various health problems.'
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| Protein | Definition | Taxonomy |
|---|---|---|
| Rho-associated protein kinase 2 | [no definition available] | Bos taurus (cattle) |
| Cyclin-dependent-like kinase 5 | [no definition available] | Bos taurus (cattle) |
| Casein kinase II subunit alpha | [no definition available] | Bos taurus (cattle) |
| Lysine-specific demethylase 5B | A lysine-specific demethylase 5B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UGL1] | Homo sapiens (human) |
| Ubiquitin carboxyl-terminal hydrolase 7 | A ubiquitin carboxyl-terminal hydrolase 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q93009] | Homo sapiens (human) |
| Probable ubiquitin carboxyl-terminal hydrolase FAF-X | A probable ubiquitin carboxyl-terminal hydrolase FAF-X that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q93008] | Homo sapiens (human) |
| Histone acetyltransferase KAT2B | A histone acetyltransferase KAT2B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92831] | Homo sapiens (human) |
| CREB-binding protein | A CREB-binding protein that is encoded in the genome of human. [PMID:11331617] | Homo sapiens (human) |
| Nuclear receptor ROR-beta | A nuclear receptor ROR-beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92753] | Homo sapiens (human) |
| Glutamate receptor ionotropic, NMDA 3A | A glutamate receptor ionotropic, NMDA 3A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TCU5] | Homo sapiens (human) |
| DNA damage-binding protein 1 | A DNA damage-binding protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16531] | Homo sapiens (human) |
| Histone-lysine N-methyltransferase EZH2 | A histone-lysine N-methyltransferase EZH2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15910] | Homo sapiens (human) |
| Cyclin-dependent kinase 5 activator 1 | A cyclin-dependent kinase 5 activator 1 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Cullin-4A | A cullin-4A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13619] | Homo sapiens (human) |
| TAR DNA-binding protein 43 | A TAR DNA-binding protein 43 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13148] | Homo sapiens (human) |
| 5'-AMP-activated protein kinase catalytic subunit alpha-1 | A 5-AMP-activated protein kinase catalytic subunit alpha-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13131] | Homo sapiens (human) |
| Nuclear factor NF-kappa-B p100 subunit | A nuclear factor NF-kappa-B p100 subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q00653] | Homo sapiens (human) |
| Cyclin-dependent-like kinase 5 | A cyclin-dependent kinase 5 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| DNA-dependent protein kinase catalytic subunit | A DNA-dependent protein kinase catalytic subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P78527] | Homo sapiens (human) |
| Casein kinase II subunit alpha | A casein kinase II subunit alpha that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
| Serine/threonine-protein kinase SIK1 | A serine/threonine-protein kinase SIK1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P57059] | Homo sapiens (human) |
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 | A 5-AMP-activated protein kinase catalytic subunit alpha-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54646] | Homo sapiens (human) |
| Mitogen-activated protein kinase 10 | A mitogen-activated protein kinase 10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53779] | Homo sapiens (human) |
| Mitogen-activated protein kinase 9 | A mitogen-activated protein kinase 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P45984] | Homo sapiens (human) |
| Mitogen-activated protein kinase 8 | A mitogen-activated protein kinase 8 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P45983] | Homo sapiens (human) |
| Serine/threonine-protein kinase mTOR | A serine/threonine-protein kinase mTOR that is encoded in the genome of human. [PRO:CL, UniProtKB:P42345] | Homo sapiens (human) |
| Hepatocyte nuclear factor 4-alpha | A hepatocyte nuclear factor 4-alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41235] | Homo sapiens (human) |
| Lysine-specific demethylase 5C | A lysine-specific demethylase 5C that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41229] | Homo sapiens (human) |
| Peroxisome proliferator-activated receptor gamma | A peroxisome proliferator-activated receptor gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:P37231] | Homo sapiens (human) |
| D(4) dopamine receptor | A D(4) dopamine receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P21917] | Homo sapiens (human) |
| DNA topoisomerase 2-alpha | A DNA topoisomerase 2-alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P11388] | Homo sapiens (human) |
| Cyclin-dependent kinase 1 | A cyclin-dependent kinase 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P06493] | Homo sapiens (human) |
| Protein kinase C gamma type | A protein kinase C gamma type that is encoded in the genome of human. [PRO:CNA, UniProtKB:P05129] | Homo sapiens (human) |
| Ubiquitin-like modifier-activating enzyme ATG7 | A ubiquitin-like modifier-activating enzyme ATG7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95352] | Homo sapiens (human) |
| Rho-associated protein kinase 2 | A Rho-associated protein kinase 2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:O75116] | Homo sapiens (human) |
| Compound | Definition | Classes | Roles |
|---|---|---|---|
| dinitrochlorobenzene | 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds. | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
| alpha-ketoglutaric acid | 2-oxoglutaric acid : An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle. | oxo dicarboxylic acid | fundamental metabolite |
| gamma-aminobutyric acid | gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system. | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
| adenine | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae 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 |
| 4-aminophenol | 4-aminophenol : An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. 4-aminophenol: RN given refers to parent cpd | aminophenol | allergen; metabolite |
| lipoamide | Lipozyme: lipase from Rhizomucor miehei immobilized on anion exchange resin | dithiolanes; monocarboxylic acid amide | Escherichia coli metabolite; human metabolite; mouse 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 |
| inositol | 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction. inositol : Any cyclohexane-1,2,3,4,5,6-hexol. Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration. | cyclitol; hexol | |
| pentachlorophenol | PENTA: structure given in first source | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
| sarcosine | cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis | N-alkylglycine; N-alkylglycine zwitterion; N-methyl-amino acid; N-methylglycines | Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite |
| spermidine | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector | |
| spermine | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent | |
| uracil | 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
| vanillin | Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
| alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies. | non-proteinogenic alpha-amino acid | |
| 2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin | 2-(N-phenethyl-N-propyl)amino-5-hydroxytetralin: potent, specific D2 dopamine receptor agonist; RN given refers to parent cpd | tetralins | |
| 2-(6-methoxy-2-naphthalenyl)propanoic acid | naphthalenes | ||
| 1,10-phenanthroline | 1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
| 1,3-dipropyl-8-(4-sulfophenyl)xanthine | 1,3-dipropyl-8-(4-sulfophenyl)xanthine: adenosine receptor antagonist | ||
| pk 11195 | PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
| edelfosine | 1-octadecyl-2-methylglycero-3-phosphocholine : A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively. edelfosine : A racemate comprising equimolar amounts of (R)- and (S)-edelfosine. edelfosine: RN given refers to parent cpd | glycerophosphocholine | |
| 2,4,6-tribromophenol | bromophenol | environmental contaminant; fungicide; marine metabolite | |
| 4-(2,4-dichlorophenoxy)butyric acid | 2,4-DB : A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide. 4-(2,4-dichlorophenoxy)butyric acid: structure | aromatic ether; monocarboxylic acid; organochlorine compound | agrochemical; phenoxy herbicide; synthetic auxin |
| 2,4-dinitrophenol | 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions. 2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed) dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents. | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
| gw 2433 | GW 2433: binds peroxisome proliferator-activated receptor alpha (PPARalpha); structure in first source | ||
| 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 |
| enprofylline | enprofylline : Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy. | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
| 3-nitropropionic acid | 3-nitropropanoic acid : A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. 3-nitropropionic acid: succinate dehydrogenase inactivator; biosynthesized by FABACEAE plants from ASPARAGINE | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
| 3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane | diarylmethane | ||
| 4,5,6,7-tetrabromo-2-azabenzimidazole | 4,5,6,7-tetrabromobenzotriazole: a CK2 kinase inhibitor | ||
| cgp 52411 | 4,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups. 4,5-dianilinophthalimide: structure given in first source | phthalimides | geroprotector; tyrosine kinase inhibitor |
| 5-fluoroindole-2-carboxylic acid | 5-fluoroindole-2-carboxylic acid: N-methyl-D-aspartate receptor antagonist | indolyl carboxylic acid | |
| 6,7-dichloroquinoxaline-2,3-dione | quinoxaline derivative | ||
| phenanthridone | phenanthridone : A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity. phenanthridone: coal tar derivative; structure given in first source | lactam; phenanthridines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen |
| 6-chloromelatonin | acetamides | ||
| 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 |
| acemetacin | acemetacin : A carboxylic ester that is the carboxymethyl ester of indometacin. A non-steroidal anti-inflammatory drug, it is used in the treatment of rheumatoid arthritis, osteoarthritis, and low back pain, as well as for postoperative pain and inflammation. Its activity is due to both acemetacin and its major metabolite, indometacin. | carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
| acridone | acridone : A member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9. | acridines; cyclic ketone | |
| altretamine | Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine. | triamino-1,3,5-triazine | |
| amantadine | amant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first source | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
| ambroxol | Ambroxol: A metabolite of BROMHEXINE that stimulates mucociliary action and clears the air passages in the respiratory tract. It is usually administered as the hydrochloride. | aromatic amine | |
| theophylline | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent | |
| 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 |
| 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 |
| amsacrine | amsacrine : A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity. Amsacrine: An aminoacridine derivative that intercalates into DNA and is used as an antineoplastic agent. | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| arcaine | 1,4-diguanidinobutane : A guanidine derivative consisting of butane having guanidino groups at the 1- and 4-positions. arcaine: RN given refers to parent cpd; structure | guanidines | |
| 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 |
| atenolol | atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect. | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
| atrazine | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic | |
| azelaic acid | nonanedioic acid : An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups. | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
| azinphosmethyl | azinphos-methyl : A member of the class of benzotriazines that is 1,2,3-benzotriazine substituted by an oxo group at position 4 and a [(dimethoxyphosphorothioyl)sulfanyl]methyl group at position 3. Azinphosmethyl: An organothiophosphorus cholinesterase inhibitor. It has been used as an acaricide and as an insecticide. | benzotriazines; organic thiophosphate; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
| 2,2-bis(4-glycidyloxyphenyl)propane | 2,2-bis(4-glycidyloxyphenyl)propane: structure | diarylmethane | |
| bendroflumethiazide | bendroflumethiazide : A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group. Bendroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810) | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
| benzbromarone | benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout. | 1-benzofurans; aromatic ketone | uricosuric drug |
| benzocaine | benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina. Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice. | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
| bay h 4502 | 1-[biphenyl-4-yl(phenyl)methyl]imidazole : A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1. bifonazole : A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections. | biphenyls; imidazoles | |
| bisbenzimidazole | Bisbenzimidazole: A benzimidazole antifilarial agent; it is fluorescent when it binds to certain nucleotides in DNA, thus providing a tool for the study of DNA replication; it also interferes with mitosis. | bibenzimidazole; N-methylpiperazine | anthelminthic drug; fluorochrome |
| bisindolylmaleimide i | bisindolylmaleimide I: a bis(indolyl)maleimide | ||
| bisindolylmaleimide iv | indoles; maleimides | ||
| ro 31-8425 | |||
| bohemine | bohemine : Purine substituted on C-2, C-6 and N-9 with (3-hydroxypropyl)amino, benzylamino and isopropyl groups respectively; a synthetic, cell-permeable, cyclin-dependent kinase (CDK) inhibitor that is structurally similar to olomoucine and roscovitine. | purines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| broxyquinoline | broxyquinoline: structure | organohalogen compound; quinolines | |
| bufexamac | bufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties. Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally. | aromatic ether; hydroxamic acid | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| butamben | butamben : An amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders. butamben: structure | amino acid ester; benzoate ester; primary amino compound; substituted aniline | local anaesthetic |
| 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 | |
| candesartan cilexetil | candesartan cilexetil: a prodrug which is metabolized to an active form candesartan to exert its biological effects | biphenyls | |
| cannabinol | Cannabinol: A physiologically inactive constituent of Cannabis sativa L. | dibenzopyran | |
| carprofen | carprofen : Propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs. carprofen: RN given refers to cpd without isomeric designation | carbazoles; organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent |
| cgs 15943 | 9-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine: non-xanthine triazoloquinazoline adenosine antagonist CGS 15943 : A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors. | aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline | adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant |
| 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 |
| chromone-2-carboxylic acid | chromones | ||
| 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 |
| aricine | cinchona alkaloid | ||
| ciprofloxacin | ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline. | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
| clebopride | clebopride: antidopaminergic; RN given refers to parent cpd; structure | piperidines | |
| clioquinol | 5-chloro-7-iodoquinolin-8-ol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by chlorine and iodine, respectively. It has antibacterial and atifungal properties, and is used in creams for the treatment of skin infections. It has also been investigated as a chelator of copper and zinc ions for the possible treatment of Alzheimer's disease. Clioquinol: A potentially neurotoxic 8-hydroxyquinoline derivative long used as a topical anti-infective, intestinal antiamebic, and vaginal trichomonacide. The oral preparation has been shown to cause subacute myelo-optic neuropathy and has been banned worldwide. | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
| clofibrate | angiokapsul: contains clofibrate & insoitolnicotinate | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
| clofibric acid | clofibric acid : A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. Clofibric Acid: An antilipemic agent that is the biologically active metabolite of CLOFIBRATE. | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
| clotrimazole | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic | |
| cloxyquin | cloxyquin: has antitubercular activity; structure in first source | organochlorine compound; quinolines | |
| coumaphos | Coumaphos: A organothiophosphorus cholinesterase inhibitor that is used as an anthelmintic, insecticide, and as a nematocide. | organic thiophosphate; organochlorine compound; organothiophosphate insecticide | acaricide; agrochemical; antinematodal drug; avicide; EC 3.1.1.8 (cholinesterase) inhibitor |
| danthron | chrysazin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8. danthron: structure | dihydroxyanthraquinone | apoptosis inducer; plant metabolite |
| decanoic acid | decanoate : A fatty acid anion 10:0 that is the conjugate base of decanoic acid. decanoic acid : A C10, straight-chain saturated fatty acid. | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component |
| deferiprone | deferiprone : A member of the class of 4-pyridones that is pyridin-4(1H)-one substituted at positions 1 and 2 by methyl groups and at position 3 by a hydroxy group. A lipid-soluble iron-chelator used for treatment of thalassaemia. Deferiprone: A pyridone derivative and iron chelator that is used in the treatment of IRON OVERLOAD in patients with THALASSEMIA. | 4-pyridones | iron chelator; protective agent |
| racemethorphan | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene : An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11. | aromatic ether; morphinane alkaloid; morphinane-like compound; organic heterotetracyclic compound | |
| dipyridamole | dipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots. Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752) | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
| 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 | |
| safingol | 2-aminooctadecane-1,3-diol : An aminodiol that is octadecane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2. | aminodiol; sphingoid | |
| 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 |
| nsc-526417 | |||
| 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 | |
| efavirenz | |||
| ellipticine | ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
| embelin | embelin : A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. embelin: from Embelia fruit (Myrsinaceae) | dihydroxy-1,4-benzoquinones | antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite |
| 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 |
| enoxacin | enoxacin : A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea. Enoxacin: A broad-spectrum 6-fluoronaphthyridinone antibacterial agent that is structurally related to NALIDIXIC ACID. | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
| etazolate | etazolate : A pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted at positions 1, 4, and 5 by ethyl, 2-isopropylidenehydrazino, and ethoxycarbonyl groups, respectively. A phosphodiesterase IV inhibitor with antidepressant and anxiolytic properties. Etazolate: A potent phosphodiesterase inhibitor proposed as an antipsychotic agent. | ethyl ester; hydrazone; pyrazolopyridine | alpha-secretase activator; antidepressant; antipsychotic agent; anxiolytic drug; GABA agent; neuroprotective agent; phosphodiesterase IV inhibitor |
| ethenzamide | ethenzamide: structure | organic molecular entity | |
| 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 |
| 4-biphenylylacetic acid | biphenyl-4-ylacetic acid : A monocarboxylic acid in which one of the alpha-hydrogens is substituted by a biphenyl-4-yl group. An active metabolite of fenbufen, it is used as a topical medicine to treat muscle inflammation and arthritis. | biphenyls; monocarboxylic acid | non-steroidal anti-inflammatory drug |
| felodipine | felodipine : The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris. Felodipine: A dihydropyridine calcium antagonist with positive inotropic effects. It lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
| 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 |
| fentanyl | fentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078) | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
| fluconazole | fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS. | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
| flufenamic acid | flufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders. Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16) | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| fluphenazine | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug | |
| flumazenil | flumazenil : An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose. Flumazenil: A potent benzodiazepine receptor antagonist. Since it reverses the sedative and other actions of benzodiazepines, it has been suggested as an antidote to benzodiazepine overdoses. | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
| flurbiprofen | flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain. Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE. | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| gemfibrozil | aromatic ether | antilipemic drug | |
| glyburide | glyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group. Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
| go 6976 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor | |
| gw8510 | GW8510: 3' substituted indolone as a scaffold for the development of neuroprotective drug; structure in first source | ||
| n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide | isoquinolines; sulfonamide | ||
| n-(2-aminoethyl)-5-isoquinolinesulfonamide | |||
| 1-(5-isoquinolinesulfonyl)piperazine | isoquinolines | ||
| fasudil | fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia. fasudil: intracellular calcium antagonist; structure in first source | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
| 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 |
| 2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether | 2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether: potent inhibitor of protein kinase C; structure given in first source | tannin | |
| 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 |
| miltefosine | miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine. miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
| hexestrol | stilbenoid | ||
| beta-thujaplicin | beta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. beta-thujaplicin: structure | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
| ibudilast | pyrazolopyridine | ||
| 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 |
| indirubin-3'-monoxime | indirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. indirubin-3'-monoxime: has antiangiogenic activity | ||
| indirubin-5-sulfonate | |||
| indomethacin | indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES. | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic; xenobiotic metabolite |
| iodoquinol | iodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis. Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide. | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
| iopanoic acid | Iopanoic Acid: Radiopaque medium used as diagnostic aid. | monocarboxylic acid | |
| ipriflavone | ipriflavone : A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. | aromatic ether; isoflavones | bone density conservation agent |
| isoconazole | 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1. isoconazole : A racemate comprising equimolar amounts of (R)- and (S)-isoconazole. A broad-spectrum antibacterial drug used (as its nitrate salt) for treatment of dermatomycoses. | dichlorobenzene; ether; imidazoles | |
| isoproterenol | isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders. Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant. | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
| itraconazole | piperazines | ||
| 4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | WHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration | ||
| jl 18 | JL 18: a pyridobenzodiazepine derivative bioisoster of clozapine | ||
| staurosporine aglycone | staurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor | ||
| nsc 664704 | kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). kenpaullone: inhibits CDK1/cyclin B; structure in first source | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
| ketamine | ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors. | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
| ketanserin | ketanserin : A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group. Ketanserin: A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients. | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic 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 |
| beta-lapachone | beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
| lg 100268 | LG 100268: a retinoid X receptor (RXR) selective compound; structure given in first source | ||
| 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 |
| loxapine | Loxapine: An antipsychotic agent used in SCHIZOPHRENIA. | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
| ly 171883 | LY 171883: structure in first source; leukotriene receptor antagonist tomelukast : A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity. | acetophenones; aromatic ether; phenols; tetrazoles | anti-asthmatic drug; leukotriene antagonist |
| 2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
| makaluvamine a | makaluvamine A: from fruiting bodies of Didymium bahiense; structure in first source | ||
| meclofenamate sodium anhydrous | organic sodium salt | ||
| memantine | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist | |
| vitamin k 3 | Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
| methadone | 6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4. methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction. Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3) | benzenes; diarylmethane; ketone; tertiary amino compound | |
| methocarbamol | 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate : A carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester. methocarbamol : A racemate comprising equimolar amounts of (R)- and (S)-methocarbamol. A centrally acting skeletal muscle relaxant, it is used as an adjunct in the short-term symptomatic treatment of painful muscle spasm. The (R)-enantiomer is more active than the (S)-enantiomer. Methocarbamol: A centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206) | aromatic ether; carbamate ester; secondary alcohol | |
| doxorubicin hydrochloride | folic acids | ||
| 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 |
| nocodazole | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator | |
| metronidazole | metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS. | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; 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 |
| minoxidil | minoxidil : A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6. Minoxidil: A potent direct-acting peripheral vasodilator (VASODILATOR AGENTS) that reduces peripheral resistance and produces a fall in BLOOD PRESSURE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371) | dialkylarylamine; tertiary amino compound | |
| mirtazapine | Mirtazapine: A piperazinoazepine tetracyclic compound that enhances the release of NOREPINEPHRINE and SEROTONIN through blockage of presynaptic ALPHA-2 ADRENERGIC RECEPTORS. It also blocks both 5-HT2 and 5-HT3 serotonin receptors and is a potent HISTAMINE H1 RECEPTOR antagonist. It is used for the treatment of depression, and may also be useful for the treatment of anxiety disorders. | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
| mitoxantrone | mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. Mitoxantrone: An anthracenedione-derived antineoplastic agent. | dihydroxyanthraquinone | analgesic; antineoplastic agent |
| modafinil | 2-[(diphenylmethyl)sulfinyl]acetamide : A sulfoxide that is dimethylsulfoxide in which two hydrogens attached to one of the methyl groups are replaced by phenyl groups, while one hydrogen attached to the other methyl group is replaced by a carbamoyl (aminocarbonyl) group. modafinil : A racemate comprising equimolar amounts of armodafinil and (S)-modafinil. A central nervous system stimulant, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The optical enantiomers of modafinil have similar pharmacological actions in animals. Modafinil: A benzhydryl acetamide compound, central nervous system stimulant, and CYP3A4 inducing agent that is used in the treatment of NARCOLEPSY and SLEEP WAKE DISORDERS. | monocarboxylic acid amide; sulfoxide | |
| mosapramine | 1'-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one : 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-(2-oxohexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-1'-yl)propyl group. mosapramine : A racemate comprising equimolar amounts of (R)- and (S)-mosapramine. It is a second-generation antipsychotic used for the treatment of schizophrenia. mosapramine: structure given in first source | azaspiro compound; dibenzoazepine; organochlorine compound; tertiary amino compound | |
| fg 7142 | FG 7142: benzodiazepine receptor agonist | beta-carbolines | |
| fenamic acid | fenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs. fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd | aminobenzoic acid; secondary amino compound | membrane transport modulator |
| nemonapride | N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide : A benzamide obtained by formal condensation of the carboxy group of 5-chloro-2-methoxy-4-(methylamino)benzoic acid with the amino group of 1-benzyl-2-methylpyrrolidin-3-amine. | benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline | |
| 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 |
| nimodipine | nimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm. Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure. | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
| nisoldipine | methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris. nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris. Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina. | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
| nitrendipine | nitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension. Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive. | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
| masoprocol | nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata) | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
| nu2058 | NU2058: structure in first source | ||
| nu6102 | NU6102: structure in first source | ||
| o(6)-benzylguanine | O(6)-benzylguanine: a suicide inhibitor of O(6)-methylguanine-DNA methyltransferase activity | ||
| olomoucine | olomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor. olomoucine: inhibits protein P34CDC2 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| 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 |
| oxybenzone | oxybenzone : A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively. | hydroxybenzophenone; monomethoxybenzene | dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic |
| oxyphenbutazone | oxyphenbutazone : A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. Oxyphenbutazone: A non-steroidal anti-inflammatory drug. Oxyphenbutazone eyedrops have been used abroad in the management of postoperative ocular inflammation, superficial eye injuries, and episcleritis. (From AMA, Drug Evaluations Annual, 1994, p2000) It had been used by mouth in rheumatic disorders such as ankylosing spondylitis, osteoarthritis, and rheumatoid arthritis but such use is no longer considered justified owing to the risk of severe hematological adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p27) | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
| 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 |
| parthenolide | germacranolide | ||
| pd 153035 | 4-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7. | aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
| phenazine | azaarene; heteranthrene; mancude organic heterotricyclic parent; phenazines; polycyclic heteroarene | ||
| phenylbutazone | phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS. | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
| phloretin | dihydrochalcones | antineoplastic agent; plant metabolite | |
| pioglitazone | pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity. Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS. | aromatic ether; pyridines; thiazolidinediones | antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic |
| pomiferin | pomiferin: structure in first source | isoflavanones | |
| 1-NA-PP1 | pyrazolopyrimidine | tyrosine kinase inhibitor | |
| ag 1879 | 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
| ppm 18 | naphthoquinone | ||
| prazosin | prazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively. Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION. | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| primidone | primidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures. Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite. | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
| 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 |
| procyclidine | procyclidine : A tertiary alcohol that consists of propan-1-ol substituted by a cyclohexyl and a phenyl group at position 1 and a pyrrolidin-1-yl group at position 3. Procyclidine: A muscarinic antagonist that crosses the blood-brain barrier and is used in the treatment of drug-induced extrapyramidal disorders and in parkinsonism. | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
| propanil | propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat. Propanil: A chlorinated anilide that is used as an herbicide. | anilide; dichlorobenzene | herbicide |
| quetiapine | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist | |
| 1,2,5,8-tetrahydroxy anthraquinone | 1,2,5,8-tetrahydroxy anthraquinone: structure in first source quinalizarin : A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions. | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| rbi 257 | RBI 257: ligand for dopamine D4 receptors; structure in first source | ||
| pf 5901 | alpha-pentyl-3-(2-quinolinylmethoxy)benzenemethanol: structure given in first source; platelet activating factor antagonist | quinolines | |
| riluzole | Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS. | benzothiazoles | |
| 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 |
| ropinirole | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist | |
| roxarsone | roxarsone : An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl. Roxarsone: An arsenic derivative which has anticoccidial action and promotes growth in animals. | 2-nitrophenols; organoarsonic acid | agrochemical; animal growth promotant; antibacterial drug; coccidiostat |
| 3-(3-cyanophenyl)-n-n-propylpiperidine | 3-(3-cyanophenyl)-N-n-propylpiperidine: a dopamine autoreceptor antagonist; RN given for (+-)-isomer | ||
| 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 239063 | SB 239063: structure in first source SB-239063 : A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively. | imidazoles | |
| sb 202190 | 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| 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 |
| sq 22536 | 9-(tetrahydrofuryl)adenine : A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor. | nucleoside analogue; oxolanes | EC 4.6.1.1 (adenylate cyclase) inhibitor |
| imatinib | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor | |
| streptonigrin | pyridines; quinolone | antimicrobial agent; antineoplastic agent | |
| succinylacetone | 4,6-dioxoheptanoic acid : A dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia. succinylacetone: inhibitor of heme biosynthesis | beta-diketone; dioxo monocarboxylic acid | human metabolite |
| sulfacetamide | sulfacetamide : A sulfonamide that is sulfanilamide acylated on the sulfonamide nitrogen. Sulfacetamide: An anti-bacterial agent that is used topically to treat skin infections and orally for urinary tract infections. | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfinpyrazone | Sulfinpyrazone: A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties. | pyrazolidines; sulfoxide | uricosuric drug |
| sulpiride | sulpiride : A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine. Sulpiride: A dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed) | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
| suramin | suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years. Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties. | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
| suxibuzone | suxibuzone : A pyrazolidine that is phenylbutazone which is substituted by a 3-carboxypropanoylmethyl group at the 4-position. Suxibuzone is a prodrug for phenylbutazone and is commonly used as an anti-inflammatory drug in horses. | hemisuccinate; monocarboxylic acid; pyrazolidines | antirheumatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; prodrug |
| gatifloxacin | gatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes. Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS. | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| thalidomide | 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide. Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action. | phthalimides; piperidones | |
| 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 |
| thiram | thiram : An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment. Thiram: A dithiocarbamate chemical, used commercially in the rubber processing industry and as a fungicide. In vivo studies indicate that it inactivates the enzyme GLUTATHIONE REDUCTASE. It has mutagenic activity and may induce chromosomal aberrations. | organic disulfide | antibacterial drug; antifungal agrochemical; antiseptic drug |
| tinidazole | tinidazole : 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group. It is used as an antiprotozoal, antibacterial agent. Tinidazole: A nitroimidazole alkylating agent that is used as an antitrichomonal agent against TRICHOMONAS VAGINALIS; ENTAMOEBA HISTOLYTICA; and GIARDIA LAMBLIA infections. It also acts as an antibacterial agent for the treatment of BACTERIAL VAGINOSIS and anaerobic bacterial infections. | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
| ici 136,753 | pyrazolopyridine | ||
| trichlormethiazide | trichlormethiazide : A benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension. Trichlormethiazide: A thiazide diuretic with properties similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830) | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
| triclosan | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic | |
| trifluoperazine | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug | |
| troglitazone | Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity. | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
| tyrphostin a9 | alkylbenzene | geroprotector | |
| vesamicol | vesamicol: RN given refers to parent cpd; structure | piperidines | |
| n-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-n-(2-pyridinyl)cyclohexanecarboxamide | piperazines | ||
| pirinixic acid | pirinixic acid: structure | aryl sulfide; organochlorine compound; pyrimidines | |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
| ici 204,219 | zafirlukast: a leukotriene D4 receptor antagonist | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
| zotepine | zotepine: structure | dibenzothiepine; tertiary amino compound | alpha-adrenergic drug; second generation antipsychotic; serotonergic drug |
| hydrocortisone acetate | hydrocortisone acetate: RN given refers to cpd without isomeric designation | cortisol ester; tertiary alpha-hydroxy ketone | |
| lysergic acid diethylamide | lysergic acid diethylamide : An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine. Lysergic Acid Diethylamide: Semisynthetic derivative of ergot (Claviceps purpurea). It has complex effects on serotonergic systems including antagonism at some peripheral serotonin receptors, both agonist and antagonist actions at central nervous system serotonin receptors, and possibly effects on serotonin turnover. It is a potent hallucinogen, but the mechanisms of that effect are not well understood. | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
| procaine hydrochloride | Gerovital H3: Contains mainly procaine & small amounts of benzoic acid, potassium metabisulfite & disodium phosphate | organic molecular entity | |
| 3,3',5-triiodothyroacetic acid | tiratricol : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)acetic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxy-3-iodophenoxy group. It is a thyroid hormone analogue that has been used in the treatment of thyroid hormone resistance syndrome. | ||
| 3,4-dichlorobenzoic acid | 3,4-dichlorobenzoic acid : A chlorobenzoic acid carrying chloro substituents at positions 3 and 4. 3,4-dichlorobenzoic acid: structure given in first source | chlorobenzoic acid | |
| thyroxine | thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism. | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine; thyroxine zwitterion | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
| estrone | Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
| androsterone | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone | |
| dehydroepiandrosterone | dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion. | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
| dichlororibofuranosylbenzimidazole | Dichlororibofuranosylbenzimidazole: An RNA polymerase II transcriptional inhibitor. This compound terminates transcription prematurely by selective inhibition of RNA synthesis. It is used in research to study underlying mechanisms of cellular regulation. | ||
| idoxuridine | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor | |
| triiodothyronine | 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3. | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
| ethinyl estradiol | 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration. Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES. | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
| testosterone propionate | androgen : A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors. Testosterone Propionate: An ester of TESTOSTERONE with a propionate substitution at the 17-beta position. | steroid ester | |
| apomorphine | Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
| methyltestosterone | methyltestosterone : A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position. Methyltestosterone: A synthetic hormone used for androgen replacement therapy and as an hormonal antineoplastic agent (ANTINEOPLASTIC AGENTS, HORMONAL). | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
| promethazine hydrochloride | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative | |
| acetylcholine chloride | acetylcholine chloride : The chloride salt of acetylcholine, and a parasympatomimetic drug. | quaternary ammonium salt | |
| adenosine monophosphate | Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
| methylene blue | methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN. | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
| zoxazolamine | Zoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood. | benzoxazole | |
| 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 |
| androstenedione | androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads. Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL. | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
| desoxycorticosterone | Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| colchicine | (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
| 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 |
| thiamine hydrochloride | thiamine hydrochloride : A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid. | hydrochloride; vitamin B1 | insect repellent |
| 17-alpha-hydroxyprogesterone | 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. | 17alpha-hydroxy steroid; 17alpha-hydroxy-C21-steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
| chlorpromazine hydrochloride | hydrochloride; phenothiazines | anticoronaviral agent; phenothiazine antipsychotic drug | |
| mannitol | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent | |
| alizarin | dihydroxyanthraquinone | chromophore; dye; plant metabolite | |
| chlorquinaldol | chlorquinaldol : A monohydroxyquinoline that is quinolin-8-ol which is substituted by a methyl group at position 2 and by chlorine at positions 5 and 7. An antifungal and antibacterial, it was formerly used for topical treatment of skin conditions and vaginal infections. Chlorquinaldol: Local anti-infective agent used for skin, gastrointestinal, and vaginal infections with fungi, protozoa, and certain bacteria. In animals, it causes central nervous system damage and is not administered parenterally. It is also used as antiseptic, fungistat, or deodorant. | monohydroxyquinoline; organochlorine compound | antibacterial drug; antiprotozoal drug; antiseptic drug |
| triamcinolone acetonide | triamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections. Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions. | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
| mepenzolate bromide | diarylmethane | ||
| phencyclidine | phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust. | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
| tetrabromobisphenol a | 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. tetrabromobisphenol A: a brominated flame retardant | brominated flame retardant; bromobisphenol | |
| purpurin | purpurin : A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. purpurin: from Rubiaceae plants; structure in first source | trihydroxyanthraquinone | biological pigment; histological dye; plant metabolite |
| 1,4-dihydroxyanthraquinone | 1,4-dihydroxyanthraquinone: structure given in first source quinizarin : A dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups | dihydroxyanthraquinone | dye |
| 1-amino-2-methylanthraquinone | anthraquinone | ||
| visnagin | visnagin : A furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. visnagin: from Musineon divaricatum | aromatic ether; furanochromone; polyketide | anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent |
| quinophthalone | quinoline yellow : A quinoline derivative with a 1,3-dioxoindan-2-yl substituent at C-2. quinophthalone: found in hair preparations; causes contact dermatitis | aromatic ketone; beta-diketone; quinolines | dye |
| diphenyl phthalate | diphenyl phthalate : The diphenyl ester of benzene-1,2-dicarboxylic acid. | diester; phthalate ester | |
| diethyl phthalate | diethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid. diethyl phthalate: structure | diester; ethyl ester; phthalate ester | neurotoxin; plasticiser; teratogenic agent |
| 1-phenylazo-2-naphthylamine | |||
| salicylanilide | salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. salicylanilide: RN given refers to parent cpd | benzanilide fungicide; salicylamides; salicylanilides | |
| 5-methylsalicylic acid | |||
| uvitex swn | Uvitex SWN: optical brightner from Ciba; structure | 7-aminocoumarins | fluorochrome |
| phenyltoloxamine | phenyltoloxamine: RN given refers to parent cpd; structure | diarylmethane | |
| pyronine | pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method. Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-. | iminium salt; organic chloride salt | histological dye |
| phenidone | phenidone: photographic developer; RN given refers to parent cpd; structure | ||
| 6-methylcoumarin | 6-methylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group. 6-methylcoumarin: synthetic fragrance causing contact photoallergy | coumarins | allergen; fragrance |
| methyleugenol | methyleugenol: structure | phenylpropanoid | |
| 2-methyl-4-chlorophenoxyacetic acid | (4-chloro-2-methylphenoxy)acetic acid : A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2. 2-Methyl-4-chlorophenoxyacetic Acid: A powerful herbicide used as a selective weed killer. | chlorophenoxyacetic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; synthetic auxin |
| benzothiazole | benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. benzothiazole: structure | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
| fentichlor | fentichlor: structure fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine. | aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol | antiinfective agent; drug allergen |
| p-tert-butyl catechol | |||
| 3-aminobenzoic acid | 3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3. 3-aminobenzoic acid: RN given refers to parent cpd | aminobenzoic acid | |
| dicloran | 2,6-dichloro-4-nitroaniline : A nitroaniline that is 4-nitroaniline in which the hydrogens at positions 2 and 6 are replaced by chlorines. An agricultural fungicide, it is not approved for use in the European Union. | aromatic fungicide; dichlorobenzene; nitroaniline | antifungal agrochemical |
| methylenebis(chloroaniline) | 4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms. | chloroaniline | metabolite |
| 3-hydroxydiphenylamine | substituted aniline | ||
| pelargonic acid | nonanoic acid : A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. pelargonic acid: K salt acts as cariostatic agent; RN given refers to parent cpd; structure | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite |
| 2-methylbutanoic acid | 2-methylbutanoic acid: RN given refers to parent cpd without isomeric designation 2-methylbutyric acid : A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. | methylbutyric acid | bacterial metabolite; human metabolite |
| benzoin | benzoins; secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor | |
| clorophene | |||
| 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 |
| isophthalate | isophthalic acid : A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids. | benzenedicarboxylic acid | |
| sulfan blue | sulfan blue: widely used to visualize lymph vessels for lymphography; structure | organic molecular entity | |
| pyrazolanthrone | anthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase. pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
| piperidolate hydrochloride | diarylmethane | ||
| dioxybenzone | dioxybenzone: structure | benzophenones | |
| 2,4-dihydroxybenzophenone | 2,4-dihydroxybenzophenone: structure in first source | benzophenones | |
| 2-Phenylethyl 2-aminobenzoate | benzoate ester | ||
| neozone | N-phenyl-2-naphthalenamine: structure in first source | naphthalenes | |
| 4'-(chloroacetyl)acetanilide | 4'-(chloroacetyl)acetanilide : An alpha-chloroketone that is acetanilide in the para- position is substituted by a chloroacetyl group. | acetamides; alpha-chloroketone; aromatic ketone | |
| 20-alpha-dihydroprogesterone | 20-alpha-Dihydroprogesterone: A biologically active 20-alpha-reduced metabolite of PROGESTERONE. It is converted from progesterone to 20-alpha-hydroxypregn-4-en-3-one by the 20-ALPHA-HYDROXYSTEROID DEHYDROGENASE in the CORPUS LUTEUM and the PLACENTA. | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
| diphenhydramine hydrochloride | Antitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally. diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine. | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
| benzo(e)pyrene | benzo(e)pyrene: RN given refers to parent cpd benzo[e]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC. | ortho- and peri-fused polycyclic arene | carcinogenic agent; mutagen |
| 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 |
| indazoles | Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES. | indazole | |
| 7-azaindole | pyrrolopyridine | ||
| 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 | |
| 3-phenylsalicylic acid | 3-phenylsalicylic acid: structure given in first source | ||
| 2,3-dimercaptosuccinic acid | |||
| aminoimidazole carboxamide | 5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4. Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases. | aminoimidazole; monocarboxylic acid amide | mouse metabolite |
| fluorometholone | fluorometholone : A member of the class of glucocorticoids that is Delta(1)-progesterone substituted at positions 11beta and 17 by hydroxy groups, at position 6alpha by a methyl group and at position 9 by a fluoro group. Used for the treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe. Fluorometholone: A glucocorticoid employed, usually as eye drops, in the treatment of allergic and inflammatory conditions of the eye. It has also been used topically in the treatment of various skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732) | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| 2-aminopurine | 2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position. 2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine). aminopurine : Any purine having at least one amino substituent. | 2-aminopurines; nucleobase analogue | antimetabolite |
| normethadone | normethadone: RN given refers to parent cpd | diarylmethane | |
| chenodeoxycholic acid | chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones. | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| boldine | aporphine alkaloid | ||
| indirubin | |||
| plumbagin | plumbagin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. plumbagin: a superoxide anion generator | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
| imperatorin | imperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. imperatorin: tumor necrosis factor antagonist; furanocoumarin from West African medicinal plant Clausena anisata; structure in Negwer, 5th ed, #3005 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
| indigo | hydroxyindoles | ||
| kokusaginine | kokusaginine: antimalarial alkaloid from Teclea afzelii; structure in first source | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
| flavanone | flavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source | flavanones | |
| 3,4-toluenediamine | 3,4-toluenediamine: structure | ||
| 2,4-pyridinedicarboxylic acid | lutidinic acid : A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 4. | pyridinedicarboxylic acid | |
| oleanolic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite | |
| dibromsalicil | dibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic | ||
| 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 |
| o-tolunitrile | o-tolunitrile: structure in first source | ||
| dazomet | dazomet : A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide. dazomet: fumigant for poultry litter & eggs to control salmonella; structure | dithiocarbamic ester; thiadiazinane | antibacterial agent; antifungal agrochemical; herbicide; nematicide |
| nitrophenide | nitrophenide: Structure in first source | ||
| myristic acid | Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed) tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat. | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
| 3-nitrophenol | 3-nitrophenols | ||
| formestane | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor | |
| betaine hydrochloride | |||
| 9-nitroanthracene | 9-nitroanthracene: RN given refers to cpd with locant for nitro moiety in 5 position | anthracenes | |
| alpha-naphthoflavone | alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14). alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor |
| ferrocin c | N-methyl-2-quinolone: structure in first source | ||
| pentabromophenol | |||
| 3,4,5-trichlorophenol | |||
| 2-anthramine | 2-anthramine: structure | anthracenamine | |
| n-phenylpyrrole | N-phenylpyrrole: structure in first source | ||
| clopamide | Clopamide: A sulfamoylbenzamide piperidine. It is considered a thiazide-like diuretic. | sulfonamide | |
| n-hydroxy-4-acetylaminostilbene | N-hydroxy-4-acetylaminostilbene: structure | ||
| n-methylpyrrolidone | 1-methylpyrrolidin-2-one: structure in first source N-methylpyrrolidin-2-one : A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group. | lactam; N-alkylpyrrolidine; pyrrolidin-2-ones | polar aprotic solvent |
| terbutryne | terbutryn : A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively. | diamino-1,3,5-triazine; methylthio-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
| 2-phenylindole | alpha-phenylindole: RN given refers to parent cpd | phenylindole | |
| estradiol valerate | steroid ester | ||
| metformin hydrochloride | metformin hydrochloride : A hydrochloride resulting from the reaction of metformin with one molar equivalent of hydrogen chloride. | hydrochloride | environmental contaminant; hypoglycemic agent; xenobiotic |
| 2,2'-diaminodiphenyldisulfide | 2,2'-diaminodiphenyldisulfide: resin hardener | ||
| 2-amino-7-nitrofluorene | 2-amino-7-nitrofluorene: structure in first source | ||
| dehydroepiandrosterone acetate | 3beta-acetoxyandrost-5-en-17-one: structure in first source | steroid ester | |
| pregnenolone carbonitrile | Pregnenolone Carbonitrile: A catatoxic steroid and microsomal enzyme inducer having significant effects on the induction of cytochrome P450. It has also demonstrated the potential for protective capability against acetaminophen-induced liver damage. | aliphatic nitrile | |
| 2-methyladenine | methyladenine : Any member of the class of 6-aminopurines that is adenine bearing a single methyl substituent. | ||
| daminozide | daminozide: induces tumors | straight-chain fatty acid | |
| azaperone | azaperone : An N-arylpiperazine that is 2-(piperazin-1-yl)pyridine in which the amino hydrogen is replaced by a 3-(4-fluobenzoyl)propyl group. Used mainly as a tranquiliser for pigs and elephants. Azaperone: A butyrophenone used in the treatment of PSYCHOSES. | aminopyridine; aromatic ketone; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist |
| 4-hydroxyazobenzene | 4-hydroxyazobenzene: structure in first source | ||
| azacyclonol | azacyclonol: major descriptor (65-84); on-line search PIPERIDINES (65-84); Index Medicus search AZACYCLONOL (65-84); RN given refers to parent cpd | diarylmethane | |
| 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 |
| 2-bromo-4,6-dinitroaniline | 2-bromo-4,6-dinitroaniline: used in synthesis of commercially significant monoazo dyes | ||
| 11-(4-methyl-1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepine | 11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine: structure given in first source | ||
| 2-chloro-11-(4-methyl-1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepine | 2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine: structure given in first source | ||
| 5,6-chrysenequinone | 5,6-chrysenequinone: structure in first source | ||
| pimozide | pimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group. Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403) | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
| benperidol | Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567) | aromatic ketone | |
| fluorenone oxime | |||
| 2,4-diacetylphloroglucinol | 2,4-diacetylphloroglucinol : A benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups. 2,4-diacetylphloroglucinol: produced by Pseudomonas aurantiaca | aromatic ketone; benzenetriol; diketone; methyl ketone | antifungal agent; bacterial metabolite |
| mofebutazone | mofebutazone : A pyrazolidine that is phenylbutazone lacking one of the phenyl substituents. It is used for treatment of joint and muscular pain. mofebutazone: RN given refers to parent cpd; structure | pyrazolidines | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| carvone, (s)-isomer | (+)-carvone : A carvone having (S) configuration. | carvone | |
| 2-methoxy-1,4-naphthoquinone | 2-methoxy-1,4-naphthoquinone : A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis. 2-methoxy-1,4-naphthoquinone: isolated from Swertia calycina; structure in first source | 1,4-naphthoquinones; enol ether | antimicrobial agent; metabolite; plant metabolite |
| ethyl violet | ethyl violet : An organic chloride salt that is the monochloride salt of ethyl violet cation. Used for inclusion in mixed dye solutions of the iron resorcin fuchsin type for demonstrating elastic fibres. ethyl violet: RN given refers to parent cpd | organic chloride salt | fluorochrome; histological dye |
| n-acetylimidazole | N-acylimidazole | ||
| 1,2-benzisothiazoline-3-one | 1,2-benzisothiazoline-3-one: a preservative in water-based solutions such as paints, cutting fluids, printing inks, cleaning agents, polyvinyl chloride gloves, etc. benzo[d]isothiazol-3-one : An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. | organic heterobicyclic compound; organonitrogen heterocyclic compound | disinfectant; drug allergen; environmental contaminant; platelet aggregation inhibitor; sensitiser; xenobiotic |
| 3-aminofluoranthene | 3-aminofluoranthene: structure given in first source | ||
| 2-amino-2',5-dichlorobenzophenone | 2-amino-2',5-dichlorobenzophenone: structure given in first source | ||
| n-(4-dimethylamino-3,5-dinitrophenyl)maleimide | |||
| 2-(alpha-thenoylamino)-2-nitro-5-thiazole | 1,3-thiazoles; C-nitro compound | ||
| 4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one | benzodiazepine | ||
| nitroxoline | nitroxoline : A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5. nitroxoline: structure in Merck Index, 9th ed, #6475; RN given refers to parent cpd | C-nitro compound; monohydroxyquinoline | antifungal agent; antiinfective agent; antimicrobial agent; renal agent |
| dideoxyadenosine | Dideoxyadenosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is an inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal side effect is nephrotoxicity. In vivo, dideoxyadenosine is rapidly metabolized to DIDANOSINE (ddI) by enzymatic deamination; ddI is then converted to dideoxyinosine monophosphate and ultimately to dideoxyadenosine triphosphate, the putative active metabolite. | adenosines; purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor |
| beclomethasone | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug | |
| trimetazidine | Trimetazidine: A vasodilator used in angina of effort or ischemic heart disease. | aromatic amine | |
| canadine, (s)-isomer | (S)-canadine : The (S)-enantiomer of canadine. | an (S)-7,8,13,14-tetrahydroprotoberberine; canadine | plant metabolite |
| cyclophosphamide | cyclophosphamide hydrate : The monohydrate of cyclophosphamide. | hydrate | alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent |
| nsc 520594 | |||
| 2-hydroxy-7-nitrofluorene | 2-hydroxy-7-nitrofluorene: structure in first source | ||
| helenalin | helenalin : A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). helenalin: toxic principle of Helenium microcephalum (smallhead sneezeweed); structure NF-kappaB inhibitor : An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA. | cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite |
| psoromic acid | psoromic acid: structure in first source | carbonyl compound | |
| 6-nitroindazole | |||
| camptothecin | NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
| 1-(2,6-dichlorophenyl)indolin-2-one | 1-(2,6-dichlorophenyl)indolin-2-one: structure in first source | ||
| 2,3-dihydroxyquinoxaline | 2,3-dihydroxyquinoxaline: fluorescent oxalic acid deriv. | ||
| iocetamic acid | iocetamic acid: was MH 1975-92 (see under IODOBENZENES 1975-90); use IODOBENZENES to search IOCETAMIC ACID 1975-92 | aromatic amide | |
| tetradecanoylphorbol acetate | phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C. Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA. | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
| 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 |
| n-(cyclohexylthio)phthalimide | N-(cyclohexylthio)phthalimide: water pollutant | ||
| lisuride | Lisuride: An ergot derivative that acts as an agonist at dopamine D2 receptors (DOPAMINE AGONISTS). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (SEROTONIN RECEPTOR AGONISTS). | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
| cannabichromene | 1-benzopyran | ||
| daunorubicin | anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine. daunorubicin : A natural product found in Actinomadura roseola. Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS. | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
| 2,6-diaminopurine | 9H-purine-2,6-diamine : A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups. | 2,6-diaminopurines; primary amino compound | antineoplastic agent |
| cetyldimethylethylammonium bromide | |||
| ursodeoxycholic acid | ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones. Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic. | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| rafoxanide | Rafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations. | ||
| bisbenzimidazole trihydrochloride | |||
| 1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine | N-alkylpiperazine; organic heterotricyclic compound | ||
| glutamic acid | glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM. | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
| frentizole | frentizole: RN given refers to parent cpd | ||
| halofenate | Halofenate: An antihyperlipoproteinemic agent and uricosuric agent. | ||
| penfluridol | Penfluridol: One of the long-acting ANTIPSYCHOTIC AGENTS used for maintenance or long-term therapy of SCHIZOPHRENIA and other PSYCHOTIC DISORDERS. | diarylmethane | |
| N-fluorenylacetamide | fluorenes | ||
| etoposide | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor | |
| propafenone hydrochloride | propafenone hydrochloride : A hydrochloride that is the monohydrochloride salt of propafenone. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used in the management of supraventricular and ventricular arrhythmias. | hydrochloride | anti-arrhythmia drug |
| enilconazole | 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group. enilconazole : A racemate comprising equimolar amounts of (R)- and (S)-enilconazole. A fungicide used to control a wide range of fungi including Tilletia and Helminthosporium spp. on fruit, vegetables and ornamentals. In veterinary medicine, it is used topically for the treatment of fungal skin infections in cattle, dogs, and horses; it is also used by inhalation for the treatment of aspergillosis in ostriches. enilconazole: RN given refers to parent cpd | dichlorobenzene; ether; imidazoles | |
| wr 171,699 | |||
| butaclamol | amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound | dopaminergic antagonist | |
| k 308 | K 308: structure | ||
| phorbol 12,13-dibutyrate | Phorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems. | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
| 10-carboxymethyl-9-acridanone | 10-carboxymethyl-9-acridanone: RN given refers to parent cpd | acridines | |
| pentafluorobenzoyl-n-phenylethylamine | |||
| ciclopirox olamine | ciclopirox olamine : The ethanolamine salt of ciclopirox. A broad spectrum antigfungal agent, it also exhibits antibacterial activity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections. | ||
| bezafibrate | aromatic ether; monocarboxylic acid; monocarboxylic acid amide; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic | |
| flunixin meglumine | flunixin meglumine : An organoammonium salt obtained by combining flunixin with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine for treatment of horses, cattle and pigs. | organoammonium salt | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| 2-Acetyl-7-methoxybenzofuran | benzofurans | ||
| triadimefon | 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one : A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group. | aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles | |
| dexibuprofen | dexibuprofen: structure in first source | ibuprofen | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| Nanaomycin | benzoisochromanequinone | ||
| triadimenol | triadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. | aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite |
| torsemide | torasemide : An N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. It is a potent loop diuretic used for the treatment of hypertension and edema in patients with congestive heart failure. Torsemide: A pyridine and sulfonamide derivative that acts as a sodium-potassium chloride symporter inhibitor (loop diuretic). It is used for the treatment of EDEMA associated with CONGESTIVE HEART FAILURE; CHRONIC RENAL INSUFFICIENCY; and LIVER DISEASES. It is also used for the management of HYPERTENSION. | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
| Flamprop | benzamides | ||
| clorsulon | clorsulon: potent fasciolicide; structure | benzenes; sulfonamide | |
| propiconazole | Orbit: Bony cavity that holds the eyeball and its associated tissues and appendages. | conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
| triciribine phosphate | |||
| captopril | captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin. | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| staurosporine | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector | |
| triclabendazole | aromatic ether | ||
| r 6597 | 2-nitronaphtho(2,1-b)furan: structure given in first source | ||
| haloperidol decanoate | organic molecular entity | ||
| cefotetan | cefotetan : A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms. Cefotetan: A semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms. | ||
| chaetochromin | chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A | ||
| 2-nitro-7-methoxynaphtho(2-1b)furan | 2-nitro-7-methoxynaphtho(2-1b)furan: structure given in first source | ||
| 2-nitro-8-methoxynaphtho(2,1-b)furan | |||
| levocabastine hydrochloride | |||
| castanospermine | castanospermine : A tetrahydroxyindolizidine alkaloid that consists of octahydroindolizine having four hydroxy substituents located at positions 1, 6, 7 and 8 (the 1S,6S,7R,8R,8aR-diastereomer). castanospermine: indolizidine alkaloid from seeds of Australian legume, Castanospermum australe | indolizidine alkaloid | anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite |
| simvastatin | simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug. Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL. | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
| remoxipride | Remoxipride: An antipsychotic agent that is specific for dopamine D2 receptors. It has been shown to be effective in the treatment of schizophrenia. | dimethoxybenzene | |
| 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 |
| preclamol | piperidines | ||
| ipsapirone | N-arylpiperazine | ||
| eticlopride | eticlopride: blocks dopamine-D2 binding sites; structure given in first source; RN given refers to (S)-isomer | salicylamides | |
| n 0437, (-)-isomer | rotigotine: Antiparkinson Agent and dopamine receptor agonist; structure given in first source; RN given refers to cpd without isomeric designation | tetralins | |
| piroxantrone | |||
| 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 |
| pioglitazone hydrochloride | aromatic ether | ||
| topotecan | topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks. Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I. | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| fananserin | fananserin: RN & structure given in first source | naphthalenes; sulfonic acid derivative | |
| 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 |
| 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 |
| mifobate | mifobate: has antiatherosclerotic properties | trialkyl phosphate | |
| 3-morpholinopropylamine | 3-morpholinopropylamine : A member of the class of morpholines that is morpholine substituted by a 3-aminopropyl group a the N atom. | morpholines; primary amino compound | |
| benzylaminopurine | benzylaminopurine: a plant growth regulator N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. | 6-aminopurines | cytokinin; plant metabolite |
| nelfinavir | nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
| fenofibric acid | fenofibric acid : A monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate. fenofibric acid: RN given refers to parent cpd without isomeric designation; structure | aromatic ketone; chlorobenzophenone; monocarboxylic acid | drug metabolite; marine xenobiotic metabolite |
| ursolic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite | |
| norharman | beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. norharman: RN given refers to parent cpd | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
| 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 | |
| nsc 624231 | 2'-nitrophenylphenylsulfone: inhibits HIV-1 reverse transcriptase; structure given in first source | ||
| 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 |
| gallocatechol | (+)-gallocatechin : A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas. gallocatechin : A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii. gallocatechol: structure give in first source; RN given for (trans-(+-))-omer; inhibits DNA-dependent DNA & RNA polymerases | gallocatechin | antioxidant; metabolite; radical scavenger |
| 2,2'-dipyridyl disulfide | 2,2'-dipyridyl disulfide: disulfide is an important moiety in this cpd aldrithiol : A member of the class of pyridines that is pyridine which is substituted by a pyridin-2-yldisulfanediyl group at position 2. It is a reagent used in molecular biology as an oxidizing agent. Also used in peptide synthesis and for detecting thiols. | organic disulfide; pyridines | oxidising agent |
| neocuproine | neocuproine : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9. neocuproine: Spectrophotometric determination of copper and ultramicro blood sugar determinations; structure; RN given refers to parent cpd | phenanthrolines | chelator; copper chelator |
| o-(6)-methylguanine | 6-O-methylguanine : A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. methylguanine : A 2-aminopurine that is guanine bearing a single methyl substituent. O-(6)-methylguanine: structure | methylguanine | mutagen |
| dopamine hydrochloride | P 498: structure in first source; do not confuse with dopamine chloride, also known as P 498 | catecholamine | |
| epirubicin hydrochloride | |||
| pyrrolidine dithiocarbamate | pyrrolidine dithiocarbamate : A member of the class of dithiocarbamic acids that is the N-dithiocarboxy derivative of pyrrolidine. pyrrolidine dithiocarbamic acid: spelled pyrolidine in J Nutr 1979 reference; RN given refers to parent cpd | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
| meptazinol hydrochloride | |||
| tetraiodothyroacetic acid | 3,3',5,5'-tetraiodothyroacetic acid : A monocarboxylic acid that is thyroacetic acid carrying four iodo substituents at positions 3, 3', 5 and 5'. tetraiodothyroacetic acid: RN given refers to parent cpd; structure | 2-halophenol; aromatic ether; iodophenol; monocarboxylic acid | apoptosis inducer; human metabolite; thyroid hormone |
| prenylamine lactate | prenylamine lactate: prenylamine compounded with lactic acid; not a salt | ||
| rutecarpine | rutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsules | beta-carbolines | |
| telmisartan | telmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension. Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION. | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
| mepivacaine hydrochloride | mepivacaine hydrochloride : The hydrochloride salt of mepivacaine. It is used as a local anaesthetic. | hydrochloride; piperidinecarboxamide | local anaesthetic |
| 2-methoxyestradiol | 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
| toxoflavin | toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. toxoflavin: azapteridine antibiotic; structure | carbonyl compound; pyrimidotriazine | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor |
| xanthoxyletin | xanthoxyletin: structure in first source | coumarins | metabolite |
| thionalide | thionalide: complexes with methylmercury cpds; transports these cpds from liver to bile | ||
| parabanic acid | parabanic acid : An imidazolidinone that is imidazolidine which is substituted by oxo groups at positions 2, 4 and 5. parabanic acid: structure | hydracid; imidazolidinone | human metabolite |
| caramiphen | |||
| dibenzthione | dibenzthione: structure | aromatic amine | |
| tangeretin | pentamethoxyflavone : A methoxyflavone that is flavone substituted by a five methoxy groups. tangeretin : A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8. tangeretin: structure given in first source; from citrus plants; inhibits invasion of MO4 mouse cells into embryonic chick heart in vitro | pentamethoxyflavone | antineoplastic agent; plant metabolite |
| isopimpinellin | isopimpinellin: from Ruta graveolens & Heracleum lanatum; structure | psoralens | |
| 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 |
| 5-hydroxyflavone | flavones | ||
| delphinidin | delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart. Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology. | anthocyanidin chloride | |
| prazosin hydrochloride | hydrochloride | ||
| econazole nitrate | econazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-econazole nitrate. Used to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. | ||
| fenspiride hydrochloride | |||
| mezilamine | mezilamine: RN given refers to parent cpd; synonym O 6553 refers to HCl; structure | ||
| clanfenur | clanfenur: a substituted benzoylphenyl urea; structure given in first source | ||
| budipine | budipine: RN given refers to parent cpd; structure in Negwer, 5th ed, #6541 | diarylmethane | |
| artemisinin | (+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
| bithionol sulfoxide | bithionol sulfoxide: RN given refers to parent cpd; structure | ||
| 5-aminovaleric acid hydrochloride | |||
| 4(5)-phenylimidazole | 4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist | ||
| 2-phenylimidazole | |||
| n-acetylhistamine | N-acetylhistamine : A member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function. | acetamides; imidazoles | human metabolite |
| 9-methyladenine | 9-methyladenine : Adenine substituted with a methyl group at position N-9. | methyladenine | metabolite |
| 2-Benzo[b]thiophen-3-ylacetic acid | 1-benzothiophenes | ||
| 2-(2'-pyridyl)benzimidazole | 2-(2'-pyridyl)benzimidazole: structure in first source | ||
| 4-hexyloxybenzoic acid | 4-hexyloxybenzoic acid: structure in first source | ||
| 2,3,4-trihydroxbenzophenone | 2,3,4-trihydroxbenzophenone : A benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator. | benzenetriol; hydroxybenzophenone | drug metabolite; EC 1.14.18.1 (tyrosinase) inhibitor; human urinary metabolite; quorum sensing inhibitor; rat metabolite |
| enrofloxacin | enrofloxacin : A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets. Enrofloxacin: A fluoroquinolone antibacterial and antimycoplasma agent that is used in veterinary practice. | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
| dexrazoxane | Dexrazoxane: The (+)-enantiomorph of razoxane. | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
| secnidazole | C-nitro compound; imidazoles; secondary alcohol | epitope | |
| (S)-flurbiprofen | flurbiprofen | ||
| losoxantrone | losoxantrone: structure given in first source | ||
| thioxolone | tioxolone : A 1,3-benzoxathiole having a hydroxy substituent at the 6-position. | benzoxathiole | antiseborrheic |
| 7-hydroxystaurosporine | |||
| epicatechin | (-)-epicatechin : A catechin with (2R,3R)-configuration. | catechin; polyphenol | antioxidant |
| hesperetin | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite | |
| magnolol | biphenyls | ||
| tetrahydropalmatine | an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound | adrenergic agent; dopaminergic antagonist; non-narcotic analgesic | |
| sesamin | (+)-sesamin : A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. | benzodioxoles; furofuran; lignan | antineoplastic agent; neuroprotective agent; plant metabolite |
| betulin | betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. betulin: isolated from various white birch bark (BETULA) | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
| nobiletin | nobiletin : A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively. | methoxyflavone | antineoplastic agent; plant metabolite |
| picropodophyllin | picropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
| 9-methoxyellipticine | 9-methoxyellipticine: RN given refers to parent cpd | ||
| methyl fluorone black | methyl fluorone black: structure | ||
| 1,10-phenanthroline-5,6-dione | 1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source | ||
| methylene violet | methylene violet: structure given in first source | ||
| 3-deazaneplanocin | 3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist | ||
| rebeccamycin | rebeccamycin : An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens. rebeccamycin: from actinomycete strain C-38,383; structure given in first source | indolocarbazole; N-glycosyl compound; organic heterohexacyclic compound; organochlorine compound | |
| alpha-amyrin | alpha-amyrin : A pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3beta position is substituted by a hydroxy group. alpha-amyrin: beta-amyrin is also available; a 5 ring triterpene derived from taraxasterol that differs from beta-amyrin in having the 29-carbon at the 19 position | pentacyclic triterpenoid; secondary alcohol | |
| xanthomicrol | xanthomicrol : A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 8 and hydroxy groups at positions 5 and 4'. xanthomicrol: structure in first source | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
| thianthrene 5-oxide | thianthrene 5-oxide: used as a probe of the electrophilicity of hemoprotein oxidizing species; structure given in first source | ||
| fascaplysine | fascaplysine: from tropic sea sponges | ||
| 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride | 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride. | hydrochloride | EC 2.7.11.13 (protein kinase C) inhibitor |
| dehydroleucodine | dehydroleucodine: has antimicrobial activity; RN given refers to (3aS-(3aalpha,9aalpha,9bbeta))-isomer | ||
| tryptanthrine | tryptanthrine: minor constituent of traditional Chinese medicine qing dai | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
| atovaquone | atovaquone : A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position. Atovaquone: A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols. | hydroxy-1,2-naphthoquinone | |
| 4-(2-thiazolylazo)resorcinol | 4-(2-thiazolylazo)resorcinol: sensitive indicator for metals | ||
| 4,4'-dipyridyl disulfide | 4,4'-dipyridyl disulfide : An organic disulfide obtained by formal oxidative dimerisation of 4-thiopyridine. | organic disulfide; pyridines | |
| butyrylcholine chloride | |||
| 1-(2,4-dihydroxyphenyl)-1-hexanone | aromatic ketone | ||
| moroxydine monohydrochloride | |||
| rosiglitazone | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug | |
| methyl 2,4-dihydroxy-3,6-dimethyl benzoate | atraric acid: structure in first source; from the stem barks of Newbouldia laevis | 4-hydroxybenzoate ester | |
| ortho-(1-naphthoyl)benzoic acid | ortho-(1-naphthoyl)benzoic acid: structure in first source | ||
| 6,7-dichloroquinoxaline-2,3-dione | |||
| 5-phenoxysulfonyl-1-methyl-4-nitroimidazole | 5-phenoxysulfonyl-1-methyl-4-nitroimidazole: structure given in first source | ||
| N,N'-bis(3-methylphenyl)ethane-1,2-diamine | aminotoluene | ||
| 1-phenylimidazole | 1-phenylimidazole: ligand for cytochrome P-450 & inhibitor of microsomal oxidation | ||
| 8-(4-tolylsulfonylamino)quinoline | 8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first source | sulfonamide | |
| 5-chloroindole-2-carboxylate | 5-chloroindole-2-carboxylate: N-methyl-D-aspartate glycine site antagonist | indolyl carboxylic acid | |
| coenzyme a | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite | |
| 5-aminoindazole | |||
| 4,5-dimethoxy-2-nitrobenzaldehyde | aromatic ether; C-nitro compound | ||
| 7-(diethylamino)-1-benzopyran-2-one | coumarins | ||
| 5,7-dimethoxyflavone | chrysin 5,7-dimethyl ether : A dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin. | dimethoxyflavone | plant metabolite |
| 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 |
| altersolanol a | altersolanol A: isolated from fermentation product of fungus Alternaria porri(Ellis) Ciferri;RN given refers to (1R-(1alpha,2beta,3beta,4alpha))-isomer; structure given in first source | pentahydroxyanthraquinone | |
| tandospirone | tandospirone : A dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT1A receptor partial agonist (Ki = 27 nM). tandospirone: structure given in first source | bridged compound; dicarboximide; N-alkylpiperazine; N-arylpiperazine; pyrimidines | antidepressant; anxiolytic drug |
| 1-(10-methyl-2-phenothiazinyl)ethanone | phenothiazines | ||
| phentolamine mesylate | |||
| totarol | totarol: structure given in first source; isolated from the bark of Podocarpus nagi | diterpenoid | metabolite |
| malic acid, (r)-isomer | (R)-malic acid : An optically active form of malic acid having (R)-configuration. | malic acid | |
| 21-deoxycortisol | 21-deoxycortisol : A deoxycortisol that is 17xi-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. 21-deoxycortisol: RN given refers to (11beta)-isomer; structure | 11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone | human blood serum metabolite; mouse metabolite |
| estrone 3-methyl ether | estrone 3-methyl ether: RN given refers to cpd with unspecified isomeric designation; structure | ||
| e-250 | |||
| Mexicanin I | sesquiterpene lactone | ||
| levcromakalim | 1-benzopyran | ||
| 1-(2-thiazolylazo)-2-naphthol | 1-(2-thiazolylazo)-2-naphthol: used to locate cadmium not bound to metallothionein | ||
| mansonone e | mansonone E: a potent anti-bacterial sesquiterpenoid isolated from the dried root bark of Ulmus pumila; structure in first source | ||
| methylene bis(methylanthranilate) | methylene bis(methylanthranilate): structure | diarylmethane | |
| efuamide | efuamide: same cpd is obtained from residue of ignited APC tablets; structure given in first source | ||
| 2-chloroadenine | 6-amino-2-chloropurine: RN & structure given in first source | ||
| osajin | osajin: from Maclura pomifera | isoflavanones | |
| o(6)-n-butylguanine | |||
| 4-n-butylaminobenzoic acid | 4-(butylamino)benzoic acid : 4-Aminobenzoic acid in which one of the hydrogens attached to the nitrogen is substituted by a butyl group. 4-n-butylaminobenzoic acid: degradation product of tetracaine | aromatic amino acid | |
| 4',5,6,7-tetramethoxyflavone | 4',5,6,7-tetramethoxyflavone : A tetramethoxyflavone that is the tetra-O-methyl derivative of scutellarein. 4',5,6,7-tetramethoxyflavone: structure given in first source; from plant Eupatorium odoratum | tetramethoxyflavone | antimutagen; plant metabolite |
| gardenin b | gardenin B : A tetramethoxyflavone that is tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group. gardenin B: has antineoplastic activity; structure in first source | monohydroxyflavone; tetramethoxyflavone | plant metabolite |
| girinimbine | girinimbine: carbazole alkaloid | carbazoles | metabolite |
| oxoglaucine | 1,2,9,10-tetramethoxy-7H-dibenzo(de,g)quinolin-7-one: a phosphatidylinositol 3-kinase p110alpha inhibitor that reactivates latent HIV-1; structure in first source | isoquinoline alkaloid | |
| allocryptopine | aromatic ether; cyclic acetal; cyclic ketone; dibenzazecine alkaloid; organic heterotetracyclic compound; tertiary amino compound | ||
| phellopterin | phellopterin: a naturally occurring furanocoumarin found in roots of Angelica dahurica; structure in first source | psoralens | |
| 4-hydroxyantipyrine | 4-hydroxyantipyrine: metabolite of antipyrine; structure in third source | pyrazoles; ring assembly | |
| zpck | ZPCK: alkylates histidine residue at active center of bovine chymotrypsin | ||
| 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione | 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source | ||
| n-benzyloxycarbonylphenylalanyl-valine | |||
| l 10503 | |||
| difenpiramide | biphenyls; monocarboxylic acid amide; pyridines | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
| n(6)-phenyladenosine | purine nucleoside | ||
| episesamin | 1-asarinine: structure; might this actually be asarinin?(sb) | ||
| Meprylcaine hydrochloride | benzoate ester | ||
| hedione | lipid | ||
| cp-55,940 | |||
| way 100635 | |||
| indolactam v | indolactam V: only the (-)-isomer of indolactam V showed carcinogenic activity; structure given in first source | indoles | |
| paxilline | paxilline : An indole diterpene alkaloid with formula C27H33NO4 isolated from Penicillium paxilli. It is a potent inhibitor of large conductance Ca2(+)- and voltage-activated K(+) (BK)-type channels. paxilline: structure given in first source; RN given refers to (2R-(2alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta))-isomer | diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol | anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker |
| 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 | |
| ecopipam | ecopipam: structure given in first source | benzazepine | |
| betaxolol hydrochloride | betaxolol hydrochloride : The hydrochloride salt of betaxolol. | hydrochloride | antihypertensive agent; beta-adrenergic antagonist |
| 3-iodo-2-hydroxy-6-methoxy-n-((1-ethyl-2-pyrrolidinyl)methyl)benzamide | 3-iodo-2-hydroxy-6-methoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide: a dopamine receptor imaging agent; RN refers to (S)-isomer; RN & structure given in first source | ||
| sphondin | sphondin: from Heracleum laciniatum; cause of phototoxicity in patient with vitiligo | furanocoumarin | |
| schizandrin b | schizandrin B: a phytogenic antineoplastic agent with anti-inflammatory activity; isolated from Schisandra plant | ||
| tanshinone | tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | abietane diterpenoid | anticoronaviral agent |
| icrf 193 | 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis-2,6-piperazinedione: structure given in first source; RN given refers to cpd without isomeric designation ICRF-193 : An N-alkylpiperazine that is butane which is substituted by a 3,5-dioxopiperazin-1-yl group at positions 2 and 3. The meso isomer. | ||
| n-(phenylthio)-epsilon-caprolactam | N-(phenylthio)-epsilon-caprolactam: used as promoter for activation of thioglycosides; structure in first source | ||
| cp 115953 | CP 115953: enhances topoisomerase II-mediated DNA cleavage; structure given 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 |
| aj 76 | (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin : A secondary amino compound that consists of tetralin bearing methyl, propylamino and methoxy groups at positions 1, 2 and 5 respectively. Dopamine receptor antagonist with preferential action at presynaptic receptors (pKi values are 6.95, 6.67, 6.37, 6.21 and 6.07 at hD3. hD4, hD2S, hD2L and rD2 receptors respectively). 5-methoxy-1-methyl-2-(n-propylamino)tetralin: RN given refers to cis-(+)-isomer; structure given in first source | secondary amino compound; tetralins | dopaminergic antagonist |
| 4'-demethylpodophyllotoxin | 4'-demethylpodophyllotoxin : An organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. | furonaphthodioxole; organic heterotetracyclic compound; phenols | metabolite |
| phacidin | phacidin: fungal growth inhibitor from Potebniamyces balsamicola var. boycei; also active against bacteria | ||
| pd-117596 | PD-117596: structure given in first source | ||
| 4'-demethylepipodophyllotoxin | 4'-demethylepipodophyllotoxin : An organic heterotetracyclic compound that is the 9- epimer of 4'-demethylpodophyllotoxin. 4'-demethylepipodophyllotoxin: structure in first source | furonaphthodioxole; organic heterotetracyclic compound; phenols | antineoplastic agent |
| xestoquinone | xestoquinone: structure given in first source; RN given refers to the (S)-isomer; RN for cpd without isomeric designation not available 5/91; isolated from the sea sponge Xestospongia sapra | ||
| npf-etoposide | NPF-etoposide: RN given refers to (5R-(5alpha,5abeta,8aalpha,9beta))-isomer; structure in first source | ||
| gefitinib | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist | |
| glabridin | hydroxyisoflavans | antiplasmodial drug | |
| tetrahydrocurcumin | tetrahydrocurcumin : A beta-diketone that is curcumin in which both of the double bonds have been reduced to single bonds. | beta-diketone; diarylheptanoid; polyphenol | metabolite |
| w 7 | |||
| przewaquinone d | przewaquinone D: isolated from root of Salvia przewalskii; structure given in first source; RN given refers to the trans- isomer, przewaquinone D | ||
| lestaurtinib | indolocarbazole | ||
| methotrexate | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent | |
| 3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine | |||
| 1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine | 1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine: RN refers to (R)-isomer; a dopamine autoreceptor agonist; structure given in first source | ||
| uk 1 | UK 1: a cytotoxic metabolite from Streptomyces sp. 517-02; structure given in first source | ||
| ly 293558 | tezampanel: structure given in first source; an AMPA receptor antagonist | ||
| n 0734 | N 0734: dopamine receptor agonist; structure given in first source | ||
| 1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole | 1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source | ||
| 3-(alpha,alpha-dimethylallyl)psoralen | 3-(alpha,alpha-dimethylallyl)psoralen: from oil from Ruta montana L.; structure | furanocoumarin | |
| rufinamide | rufinamide: for treatment of Lennox-Gastaut syndrome; structure in first source | aromatic amide; heteroarene | |
| cki 7 | N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide : A member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I. N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide: casein kinase I inhibitor; structure given in first source | isoquinolines; organochlorine compound; primary amino compound; sulfonamide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide | |||
| 2-(4-morpholinyl)-4h-1-benzopyran-4-one | 2-(4-morpholinyl)-4H-1-benzopyran-4-one: an aminochromone; exhibits both antiproliferative and antichemotactic activity in vitro | ||
| cercosporamide | cercosporamide : A member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii. cercosporamide: antineoplastic; RN refers to (S)-isomer | dibenzofurans; methyl ketone; monocarboxylic acid amide; polyphenol | antifungal agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite; phytotoxin |
| 3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | 3,5-bis(trifluoromethyl)benzyl N-acetyltryptophan: structure given in first source; substance P and neurokinin receptor antagonist | ||
| l 741742 | L 741742: selective toward D4 receptors; structure in first source | primary amine | |
| sonepiprazole | |||
| l 741626 | 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source | piperidines | |
| sk&f 89124 | SK&F 89124: structure given in first source | ||
| 5,11-dimethyl-5h-indolo(2,3-b)quinoline | |||
| pomalidomide | 3-aminophthalimidoglutarimide: structure in first source | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
| 3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | |||
| 5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone | 5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone: has antineoplastic activity; structure in first source | ether; flavonoids | |
| 7,4'-Di-O-methyldaidzein | methoxyisoflavone | ||
| 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane | secondary amino compound | ||
| amphethinile | amphethinile: structure given in first source | ||
| phyllodulcin, (r)-isomer | phyllodulcin: RN given refers to cpd without isomeric designation; structure | hydroxybenzoic acid | |
| gl 331 | GL 331: structure in first source | ||
| perifosine | ammonium betaine; phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
| nsc-141549 | |||
| mk 767 | 5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-N-((4-(trifluoromethyl)phenyl)methyl)benzamide: an antihyperlipidemic agent that also functions as an insulin sensitizer, PPARalpha agonist, and PPARgamma agonist; structure in first source | ||
| ptk 787 | vatalanib succinate : A succinate salt obtained by combining vatalanib with one molar equivalent of succinic acid. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. | succinate salt | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
| vatalanib | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist | |
| moxifloxacin | moxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents. Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent. | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic | antibacterial drug |
| ruboxistaurin | ruboxistaurin: inhibits protein kinase C beta; structure in first source | ||
| jtt 501 | JTT 501: an insulin sensitizer; structure in first source | ||
| 1,4-dimethyl-6-nitro-9H-carbazole | carbazoles | ||
| besonprodil | besonprodil: CI-1041 is also known as PD19680; NMDA receptor antagonist for treatment of Parkinson's disease; structure in first source | ||
| chloroethylnorapomorphine | chloroethylnorapomorphine: irreversible dopamine receptor antagonist; RN given refers to (R)-isomer; structure given in first source | ||
| canertinib | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
| birb 796 | aromatic ether; morpholines; naphthalenes; pyrazoles; ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator | |
| 7-octylindolactam v | 7-octylindolactam V: only (-)-isomer has carcinogenic activity | ||
| 4,8-dimethyl-5'-carboxypsoralen | 4,8-dimethyl-5'-carboxypsoralen: major metabolite of trioxsalen | ||
| sch 45752 | organic heterotricyclic compound; organooxygen compound | ||
| 2-chloroacetoacetanilide | 2-chloroacetoacetanilide: structure in first source | ||
| cyc 202 | seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| n-phthaloylglutamic acid | N-phthaloyl-L-glutamic acid : A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group. | L-glutamic acid derivative; phthalimides | |
| harmalan | harmalan: structure given in first source | harmala alkaloid | |
| nevadensin | nevadensin : A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 8 and 4' and hydroxy groups at positions 5 and 7 respectively. nevadensin: from Lysionotus pauceflora Maxim; RN & N1 from 9th CI | dihydroxyflavone; trimethoxyflavone | plant metabolite |
| 8-(4-benzenesulfonylamino)quinoline | 8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source | ||
| corydalmine | corydalmine: antagonizes dopamine receptors; structure given in first source; RN given refers to (S)-isomer | ||
| withanolide d | withanolide D : A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. withanolide D: structure | 20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide | antineoplastic agent |
| 2,4-dinitropyrimidinyl-2-thiophenol | |||
| fasudil hydrochloride | fasudil hydrochloride : A hydrochloride obtained by reaction of fasudil with one equivalent of hydrochloric acid. | hydrochloride | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; neuroprotective agent; nootropic agent; vasodilator agent |
| tanshinone ii a | tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source | abietane diterpenoid | |
| 2-phenyl-1,2-benzisothiazol-3-(2h)-one | 2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen | ||
| 4'-hydroxyflavanone | 4'-hydroxyflavanone: structure in first source 4'-hydroxyflavanones : Any hydroxyflavanone having a hydroxy substituent located at position 4'. | 4'-hydroxyflavanones; monohydroxyflavanone | |
| anacardic acid | anacardic acid : A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities. anacardic acid: isolated from Anacardium occidentale; monophenol monooxygenase inhibitor | hydroxy monocarboxylic acid; hydroxybenzoic acid | anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite |
| n-demethyllysergic acid diethylamide | N-demethyllysergic acid diethylamide: RN given refers to (betaa)-isomer | ||
| farglitazar | farglitazar: a non-thiazolidinedione insulin sensitiser and PPARgamma agonist | ||
| chrysomycin b | |||
| sb 203580 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent | |
| sb 216763 | indoles; maleimides | ||
| enzastaurin | indoles; maleimides | ||
| erlotinib | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor | |
| dizocilpine | secondary amino compound; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist | |
| 2,4-diamino-6-benzyloxy-5-nitrosopyrimidine | 2,4-diamino-6-benzyloxy-5-nitrosopyrimidine: inhibits O(6)-alkylguanine-DNA alkyltransferase; structure given in first source | ||
| nantenine, (+-)-isomer | |||
| arnicolide d | arnicolide D: cytotoxic; from Centipeda minima L.; structure in first source | sesquiterpene lactone | |
| l 158809 | L 158809: RN & structure given in first source; angiotensin receptor antagonist | ||
| santamarine | santamarin : A sesquiterpene lactone of the eudesmanolide group. santamarine: sesquiterpene derivative of costunolide | sesquiterpene lactone | |
| ngd 94-1 | NGD 94-1: D(4) receptor antagonist; structure in first source | ||
| cns 5161 | CNS 5161: structure in first source | ||
| ethyl n-phthalimidoxyacetate | |||
| 4-anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) | 4-anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid): structure given in first source | ||
| sb 205384 | SB 205384: structure in first source | thienopyridine | |
| hydrastine hydrochloride, (s-(r*,s*))-isomer | |||
| serc | |||
| muraglitazar | muraglitazar: has glucose- and lipid-lowering activities; structure in first source; molecule composed of benzyloxazole-phenoxy-oxybenzylglycine-phenoxyl having structural analogy to PHENOXYBENZAMINE | 1,3-oxazoles | |
| tesaglitazar | tesaglitazar: structure in first source | ||
| lapatinib | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
| 4-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid | pyrroles | ||
| sorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor | |
| lenalidomide | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator | |
| fonsecin | fonsecin : A naphtho-gamma-pyrone that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2, a methoxy substituent at position 6 and three hydroxy substituents at positions 2, 5 and 8. | aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols | Aspergillus metabolite; marine metabolite |
| roxindole | indoles | alpha-adrenergic antagonist; serotonergic drug | |
| cp 101,606 | traxoprodil mesylate: a selective NMDA antagonist; structure given in first source | ||
| 1-Anilino-9,10-dioxo-2-anthroic acid | anthracenes | ||
| deoxycholic acid | deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent. | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
| cortisone | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite | |
| 2-carbazol-9-ylbenzoic acid | carbazoles | ||
| equilin | Equilin: An estrogenic steroid produced by HORSES. It has a total of four double bonds in the A- and B-ring. High concentration of euilin is found in the URINE of pregnant mares. | 17-oxo steroid; 3-hydroxy steroid | |
| N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester | anilide | ||
| 1-keto-1,2,3,4-tetrahydrophenanthrene | 1-keto-1,2,3,4-tetrahydrophenanthrene: structure in first source | ||
| cortodoxone | 21-hydroxy steroid | ||
| N-(3-chlorophenyl)carbamic acid 2-pyridinylmethyl ester | carbamate ester | ||
| acetoxycycloheximide | acetoxycycloheximide: structure | ||
| epietiocholanolone | epietiocholanolone : A 3beta-hydroxy steroid that is 5beta-androstane substituted by a hydroxy group at position 3beta and an oxo group at position 17. It is a metabolite of testosterone. | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite |
| melengestrol acetate | Melengestrol Acetate: A 6-methyl PROGESTERONE acetate with reported glucocorticoid activity and effect on ESTRUS. | corticosteroid hormone | |
| 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 |
| nsc 83265 | 3-tritylthio-L-alanine: RN & NM given refers to (L)-isomer | benzenoid aromatic compound | |
| 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone | stilbenoid | ||
| lupeol | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory drug; plant metabolite | |
| N-cyclooctyl-4-methylbenzenesulfonamide | sulfonamide | ||
| 4-benzyloxy-2-nitroaniline | 4-benzyloxy-2-nitroaniline: structure in first source | ||
| nsc 95397 | 1,4-naphthoquinones | ||
| 1-phenyl-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one | chalcones | ||
| 1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one | 1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one: has antineoplastic activity; structure in first source | ||
| withaferin a | withaferin A : A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 27 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Physalis longifolia, it exhibits cytotoxic activity. withaferin A: an antiestrogen and phytogenic antineoplastic agent isolated from leaves of Withania somnifera Dun.; structure | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | antineoplastic agent; apoptosis inducer |
| 4-amino-1,2-dithiolane-4-carboxylic acid | 4-amino-1,2-dithiolane-4-carboxylic acid: structure in first source | ||
| dimethyl 2-(2-nitrobenzylidene)malonate | dimethyl 2-(2-nitrobenzylidene)malonate: inhibits TLR4 signaling; structure in first source | ||
| nsc-126771 | dichloroallyl lawsone: structure | ||
| diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate: structure in first source | ||
| u-29409 | |||
| 2-(3-nitrophenyl)-3,1-benzoxazin-4-one | benzoxazine | ||
| 2-quinolinecarboxylic acid (4-nitrophenyl) ester | quinolines | ||
| wortmannin | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent | |
| 1-phenylindolin-2-one | 1-phenylindolin-2-one: structure in first source | ||
| 1-(benzenesulfonyl)indole | sulfonamide | ||
| 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine | 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine: structure in first source | ||
| sirodesmin a | |||
| 2-methyl-3-(phenylmethylthio)-1H-indole | indoles | ||
| rocaglamide | rocaglamide : An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity. rocaglamide: RN refers to (1alpha,2alpha,3beta,3abeta,8bbeta)-isomer; isolated from stems of Aglaia elliptifolia; structure given in first source | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
| 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester | thienopyridine | ||
| medicarpin | (-)-medicarpin : The (-)-enantiomer of medicarpin. | medicarpin | plant metabolite |
| Diterpene deriv 329 | diterpenoid | ||
| 6-(2-chloroanilino)-4-oxo-2-(4-pyridyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile | substituted aniline | ||
| [4-(4-hydroxyphenyl)phenyl]-phenylmethanone | benzophenones | ||
| sakuranetin | |||
| 1,3(2h,4h)-isoquinolinedione | 1,3(2H,4H)-isoquinolinedione: structure in first source | ||
| 10H-[1]benzothiolo[3,2-b]indole | indoles | ||
| 7-Methoxy-2-methylisoflavone | methoxyisoflavone | ||
| 3H-benzo[e]indole-2-carboxylic acid | indolyl carboxylic acid | ||
| perillyl alcohol | (S)-(-)-perillyl alcohol : A perillyl alcohol in which the chiral centre has S configuration. | perillyl alcohol | |
| paullone | paullone : An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6. paullone: structure in first source | indolobenzazepine; lactam | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
| 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone | 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone: structure in first source | ||
| 3-(9-acridinylamino)-5-hydroxymethylaniline | 3-(9-acridinylamino)-5-hydroxymethylaniline: structure in first source | ||
| 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione | 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione : A spiro compound that consists of two units of 1,2,3,6,7,8-hexahydro-5H-cyclopenta[b]naphthalen-5-one fused together at position 2. It is an inhibitor of Hepatitis C virus E2 protein that exhibits inhibitory activity against hepatitis C virus infections. | carbopolycyclic compound; cyclic ketone; diketone; spiro compound | antiviral agent |
| nsc 674495 | NSC 674495: structure in first source | ||
| bortezomib | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor | |
| nsc689857 | |||
| mrs 1220 | 9-chloro-2-(2-furyl)-5-phenylacetylamino(1,2,4)triazolo(1,5-c)quinazoline: structure in first source | quinazolines | |
| nu 6027 | |||
| meridianin g | meridianin G: from the tunicate Aplidium meridianum; structure in first source | ||
| bardoxolone methyl | methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source | cyclohexenones | |
| 5-iodoindirubin-3'-monoxime | 5-iodoindirubin-3'-monoxime: inhibits GSK-3beta | ||
| mequindox | Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source | ||
| 1-methyl-6-methoxy-dihydro-beta-carboline | |||
| N-(2-phenylphenyl)-2-pyrazinecarboxamide | aromatic amide | ||
| 9-deazaadenosine | |||
| 2H-pyrazolo[4,3-b]quinoxalin-3-amine | quinoxaline derivative | ||
| s-adenosylhomocysteine | S-adenosyl-L-homocysteine : An organic sulfide that is the S-adenosyl derivative of L-homocysteine. S-Adenosylhomocysteine: 5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions. | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
| deoxyglucose | 2-deoxy-D-glucopyranose : A 2-deoxy-D-glucose that is D-glucopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen. | 2-deoxy-D-glucose | 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 |
| androstane-3,17-dione, (5beta)-isomer | 5beta-androstane-3,17-dione : An androstane-3,17-dione with a 5beta-configuration. | 3-oxo-5beta-steroid; androstane-3,17-dione | mouse metabolite |
| tetrahydrocolumbamine | (S)-tetrahydrocolumbamine : A berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration. tetrahydrocolumbamine: a dopamine receptor ligand; from Polygala tenuifolia; structure given in first source | berberine alkaloid; organic heterotetracyclic compound | |
| epiandrosterone | epiandrosterone : A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; human metabolite |
| 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 | |
| ginsenoside re | 12beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite | |
| 2-(2-phenylethyl)chromone | 2-(2-phenylethyl)chromone : A member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria. 2-(2-phenylethyl)chromone: from Aquilaria sinensis; structure given in first source | benzenes; chromones | plant metabolite |
| 11alpha,13-dihydrohelenalin | sesquiterpene lactone | ||
| naringin | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite | |
| sb 243213 | SB 243213: a 5-HT2c inverse agonist; structure in first source | indolyl carboxylic acid | |
| doxorubicin hydrochloride | anthracycline | ||
| tretinoin | all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE). | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
| resveratrol | trans-resveratrol : A resveratrol in which the double bond has E configuration. | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
| 3-(3-pyridyl)-1-propyl-(2s)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate | |||
| tacrolimus | tacrolimus (anhydrous) : A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis. Tacrolimus: A macrolide isolated from the culture broth of a strain of Streptomyces tsukubaensis that has strong immunosuppressive activity in vivo and prevents the activation of T-lymphocytes in response to antigenic or mitogenic stimulation in vitro. | macrolide lactam | bacterial metabolite; immunosuppressive agent |
| 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 |
| mycophenolic acid | mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION. | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
| mupirocin | mupirocin : An alpha,beta-unsaturated ester resulting from the formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with the carboxy group of (2E)-4-[(2S)-tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoic acid in which the tetrahydropyranyl ring is substituted at positions 3 and 4 by hydroxy groups and at position 5 by a {(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl group. Originally isolated from the Gram-negative bacterium Pseudomonas fluorescens, it is used as a topical antibiotic for the treatment of Gram-positive bacterial infections. Mupirocin: A topically used antibiotic from a strain of Pseudomonas fluorescens. It has shown excellent activity against gram-positive staphylococci and streptococci. The antibiotic is used primarily for the treatment of primary and secondary skin disorders, nasal infections, and wound healing. | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
| gw 409544 | GW 409544: a PPARalpha agonist; structure in first source | monocarboxylic acid | |
| 5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | (R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol : A carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-alpha and antagonist of ER-beta receptors. 5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol: estrogen receptor ligand; structure in first source | carbotetracyclic compound; polyphenol | estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent |
| zithromax | azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections. Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis. | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
| pd 173955 | PD 173955: inhibits src family-selective tyrosine kinase; structure in first source | aryl sulfide; dichlorobenzene; methyl sulfide; pyridopyrimidine | tyrosine kinase inhibitor |
| drf 2725 | ragaglitazar: a phenoxazine analogue of phenyl propanoic acid; Ragaglitazar is a coligand of PPARalpha and PPARgamma | ||
| t0901317 | T0901317: an LXRalpha and LXRbeta agonist | ||
| n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea | N-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea: structure in first source | ||
| y 27632 | Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. | aromatic amide | |
| h 1152 | (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane : A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane. | isoquinolines; N-sulfonyldiazepane | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| rolipram | (-)-rolipram : The (R)-enantiomer of rolipram. | rolipram | |
| 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 |
| 7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine | |||
| 6-bromoindirubin-3'-oxime | 6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. 6-bromoindirubin-3'-oxime: structure in first source | ||
| purvalanol b | purvalanol B: protein kinase inhibitor; structure in first source | purvalanol | protein kinase inhibitor |
| repsox | RepSox: inhibits TGF-beta signaling; structure in first source appears to be incorrect | pyrazolopyridine | |
| h 89 | (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration. N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor. | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
| 1,4-dideoxy-1,4-imino-d-arabinitol | |||
| teniposide | aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | |
| kt 5720 | KT 5720 : An organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of hexyl (3S)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2R,3S,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one. KT 5720: indolocarbazole; synthetic derivative of K 252a | carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor |
| 12-deoxyphorbol 13-acetate | phorbol ester | metabolite | |
| ketoconazole | (2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration. | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
| purvalanol a | 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer; | purvalanol | |
| 5-carboxy-8-hydroxyquinoline | 5-carboxy-8-hydroxyquinoline: a JmjC histone demethylase inhibitor; structure in first source | quinolines | |
| melphalan | melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring. Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen. | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
| 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
| pd 146626 | kb-NB165-09: inhibitor of protein kinase D; structure in first source | ||
| ganoderiol f | ganoderiol F: a ganoderma triterpene from Ganoderma amboinense; structure in first source | triterpenoid | |
| meso-dihydroguaiaretic acid | meso-dihydroguaiaretic acid : A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta. | guaiacols; lignan | plant metabolite |
| shikonin | shikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activities | hydroxy-1,4-naphthoquinone | |
| kazinol b | kazinol B: a natural isoprenylated flavan | ||
| 2-methyl-5-(4-methylanilino)-1,3-benzothiazole-4,7-dione | aminotoluene | ||
| 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one | psoralens | ||
| 3-Furan-3-yl-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one | 2-benzofurans | ||
| 8-isopentenylnaringenin | 8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first source | flavanones | |
| t-2 toxin | |||
| 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester | heteroarene | ||
| 2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one | organonitrogen heterocyclic compound; oxacycle | ||
| 6-ethoxy-2-[(4-fluorophenyl)methylthio]-1,3-benzothiazole | benzothiazoles | ||
| 4-[[7-bicyclo[4.1.0]heptanyl(oxo)methyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
| 8-prop-2-enylsulfonylquinoline | quinolines | ||
| methyl indole-3-carboxylate | methyl indole-3-carboxylate : The methyl ester of indole-3-carboxylic acid. | indoles; methyl ester | metabolite |
| 5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester | carboxylic ester | ||
| 4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-dithiazolimine | dimethoxybenzene | ||
| 5-methoxy-3-methyl-1H-indole-2-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
| 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester | quinolines | ||
| 4,5-diphenyl-1,2,3-triazole | 4,5-diphenyl-1,2,3-triazole : A member of the class of triazoles that is 2H-1,2,3-triazole carrying two phenyl substituents at positions 4 and 5. | benzenes; ring assembly; triazoles | |
| 2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one | organofluorine compound | ||
| N-benzylquinazolin-4-amine | N-benzylquinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4. | benzenes; quinazolines; secondary amino compound | |
| (5-methoxy-3-benzofuranyl)-phenylmethanone | aromatic ketone | ||
| 6-methyl-2-(methylthio)-N-phenyl-5-prop-2-enyl-4-pyrimidinamine | aryl sulfide | ||
| 4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine | aryl sulfide | ||
| 5-(4-nitrophenyl)-4-phenyl-2-thiazolamine | C-nitro compound | ||
| cabreuvin | cabreuvin: structure in first source | methoxyisoflavone | |
| 3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline | pyrimidines | ||
| idarubicin hydrochloride | anthracycline | ||
| 16-epivincamine | alkaloid | metabolite | |
| epipinoresinol | epipinoresinol : An enantiomer of pinoresinol having (+)-(1R,3aR,4S,6aR)-configuration. | pinoresinol | marine metabolite; plant metabolite |
| piplartine | piplartine: Antineoplastic Agent, Phytogenic; alkaloid from Piper; structure in first source | cinnamamides; dicarboximide | |
| 2'-hydroxychalcone | 2'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'. | chalcones; phenols | anti-inflammatory agent |
| isoliquiritigenin | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist | |
| xanthohumol | xanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. xanthohumol: from hop plant, Humulus lupulus | aromatic ether; chalcones; polyphenol | anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite |
| dibenzylidene acetone | dibenzylidene acetone: structure in first source | ||
| ilepcimide | ilepcimide: structure given in first source; RN given refers to compound with no isomeric designation | benzodioxoles | |
| xanthoangelol | xanthoangelol: from Angelica keiskei; structure given in first source; RN given refers to (E,E)-isomer | ||
| cannabidiol | cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. Cannabidiol: Compound isolated from Cannabis sativa extract. | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
| gw9662 | 2-chloro-5-nitrobenzanilide: pretreatment of peroxisome proliferator activated receptors with GW9662 results in the irreversible loss of ligand binding | benzamides | |
| cgp 60474 | substituted aniline | ||
| s 1033 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor | |
| calmidazolium | calmidazolium chloride : The organic choride salt of calmidazolium. | organic chloride salt | apoptosis inducer; calmodulin antagonist |
| triiodothyronine, reverse | 3,3',5'-triiodothyronine; amino acid zwitterion | ||
| 3,6-dimethoxy-9H-carbazole | carbazoles | ||
| 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one | benzothiazoles | ||
| 2-(2,5-dimethoxyphenyl)-5-(5-methyl-2-furanyl)-1,3,4-oxadiazole | dimethoxybenzene | ||
| 2-pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester | aromatic carboxylic acid; pyridines | ||
| N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide | anilide | ||
| 1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2,3-dimethylphenyl)piperazine | piperazines | ||
| 2-[[1-oxo-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]ethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
| 3-[3-(2-methoxyphenoxy)propyl]-1,3-benzothiazol-2-one | benzothiazoles | ||
| 9-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide | benzothiazine | ||
| 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide | benzothiazoles | ||
| 8-[(1-cyclohexyl-5-tetrazolyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol | azabicycloalkane | ||
| N-(1,3-benzothiazol-2-yl)-N-methylbenzamide | benzothiazoles | ||
| 2-(1-benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole | benzimidazoles | ||
| 2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-one | heteroarene | ||
| 3-[5-(4-ethylphenyl)-2-tetrazolyl]propanoic acid methyl ester | tetrazoles | ||
| 2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide | benzotriazoles | ||
| 1-methyl-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester | piperazines | ||
| 4-methyl-N-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]benzamide | benzamides | ||
| 5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid | indolyl carboxylic acid | ||
| N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4-triazolecarboxamide | benzodioxoles | ||
| 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 3-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydroisoxazole-5-carboxamide | anilide | ||
| 1-(ethylamino)-3-[3-(ethylamino)-2-hydroxypropoxy]-2-propanol | amino alcohol | ||
| 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine | piperazines | ||
| 2-furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone | N-arylpiperazine | ||
| 2-[(2-methoxy-1-oxoethyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester | thiophenecarboxylic acid | ||
| N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide | amidobenzoic acid | ||
| N-(2,5-diethoxyphenyl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide | imidazopyridine | ||
| N-(4-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide | anilide | ||
| 8-[2-(4-methoxyphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane | pyrimidines | ||
| N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide | anilide | ||
| 2-(ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole | methoxybenzenes | ||
| N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine | dialkylarylamine; tertiary amino compound | ||
| 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanone | piperazines | ||
| N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide | benzothiazoles | ||
| 2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone | piperazines | ||
| 1-[1-[[1-[(4-methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole | benzotriazoles | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide | benzodioxine | ||
| N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide | benzothiazoles | ||
| 2-[(2,5-dimethylphenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole | aryl sulfide | ||
| 1-phenyl-4-[[1-(phenylmethyl)-5-tetrazolyl]-(3-pyridinyl)methyl]piperazine | piperazines | ||
| 4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolamine | thiazoles | ||
| 6-methoxy-3-[[[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one | quinolines | ||
| 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone | quinazolines | ||
| 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester | aryl sulfide | ||
| 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenol | N-arylpiperazine | ||
| 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester | dichlorobenzene | ||
| N-(3-methyl-2-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide | benzofurans | ||
| N-[2-[(3-chloroanilino)-oxomethoxy]ethyl]carbamic acid propan-2-yl ester | carbamate ester | ||
| (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | alkylbenzene | ||
| dithizone | Dithizone: Chelating agent used for heavy metal poisoning and assay. It causes diabetes. | ||
| 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one | quinazolines | ||
| N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide | aromatic amide | ||
| LSM-19776 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid | quinolines | ||
| 5-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
| 3-(5-cycloheptylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl)propanoic acid | thiazolidines; thiocarbonyl compound | ||
| N-(3-methoxyphenyl)-2-(2-pyridinylthio)acetamide | anilide | ||
| 1-[(1,3-benzothiazol-2-ylthio)methyl]-2-azepanone | benzothiazoles | ||
| 2-[[2-(3-methoxyphenoxy)-1-oxoethyl]amino]benzamide | amidobenzoic acid | ||
| 2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
| N-[1-(1-hexyl-2-benzimidazolyl)ethyl]-2-furancarboxamide | benzimidazoles | ||
| 5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
| 1-phenyl-N-(3-propan-2-yloxypropyl)-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| 5-bromo-3-ethyl-1H-indole-2-carboxylic acid | indolyl carboxylic acid | ||
| 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine | pyrimidines | ||
| arachin | |||
| 5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine | dimethoxybenzene | ||
| 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester | pyrimidinecarboxylic acid | ||
| 3-[(2,6-dichlorophenyl)methylthio]-4-methyl-5-thiophen-2-yl-1,2,4-triazole | dichlorobenzene | ||
| 1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol | dichlorobenzene | ||
| N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide | quinolines | ||
| 6-(4-methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | triazolothiadiazole | ||
| 6-cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole | cardionogen-1 : A triazolothiadiazole that is [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole which is substituted at positions 3 and 6 by 2-furyl and cyclohexyl groups, respectively. A cardiomyocyte promoter and an inhibitor of Wnt/beta-catenin dependent transcriptional activity, it induces cardiac cell formation in murine stem cells and zebrafish embryos, expanding cardiac progenitor cells. A biphasic modulator of cardiogenesis, it can act as either a promotor or inhibitor of heart formation, depending on the stage of treatment. | furans; triazolothiadiazole | Wnt signalling inhibitor |
| 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furanyl)-4-oxazolecarbonitrile | isoquinolines | ||
| 1-(2,1,3-benzoxadiazol-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone | benzoxadiazole | ||
| 5-(1-azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile | 1,3-oxazoles | ||
| 4-(1H-benzimidazol-2-ylmethylthio)-2-methylbenzofuro[3,2-d]pyrimidine | benzimidazoles | ||
| 2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone | benzofurans | ||
| LSM-19719 | pyrazoles; ring assembly | ||
| (4-chloro-5-hydroxy-3-benzofuranyl)-phenylmethanone | aromatic ketone | ||
| 1-[1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide | pyrrolidines | ||
| 5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one | beta-carbolines | ||
| 4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile | triazoles | ||
| 3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 2-amino-4-(2-furanyl)-6-(2-pyridinyl)-3-pyridinecarbonitrile | bipyridines | ||
| N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide | aromatic amide; heteroarene | ||
| 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile | pyrazoles; ring assembly | ||
| 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid | 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid: structure given in first source | ||
| hl 725 | |||
| 7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione | piperazines | ||
| N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide | benzoxazine | ||
| (3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(2,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione | pyrrolidines | ||
| 3-methyl-6-(1-naphthalenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | naphthalenes; triazolothiadiazole | ||
| 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione | oxopurine | ||
| 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione | quinoxaline derivative | ||
| 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzodioxine; triazolothiadiazole | ||
| 4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione | aromatic ether | ||
| N-(3-acetamidophenyl)-3-chlorobenzamide | benzamides | ||
| N-(2-furanylmethyl)-2-benzofurancarboxamide | benzofurans | ||
| 7-[(3,5-dimethyl-4-isoxazolyl)methoxy]-1-benzopyran-2-one | coumarins | ||
| 1-(4-methyl-1,2,5-oxadiazol-3-yl)-3-(3-pyridinyl)urea | pyridines | ||
| te 5 | |||
| 5-(1,3-benzodioxol-5-yl)-2-[(2-chloro-6-fluorophenyl)methyl]tetrazole | benzodioxoles | ||
| 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea | thioureas | ||
| levosulpiride | (S)-(-)-sulpiride : An optically active form of sulpiride having (S)-configuration. The active enantiomer of the racemic drug sulpiride. Selective D2-like dopamine antagonist (Ki values are ~ 0.015. ~ 0.013, 1, ~ 45 and ~ 77 muM at D2, D3, D4, D1 and D5 receptors respectively). | sulpiride | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
| 2-(2-furanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 3-(4-methylbenzoyl)acrylic acid | carbonyl compound | ||
| 1-(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)ethanone | thienopyridine | ||
| 4-thiomorpholinecarbodithioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester | aromatic ketone | ||
| 4-methoxycinnamic acid | cinnamic acids | ||
| 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
| n-phenyl-n'-2-pyridylthiourea | N-phenyl-N'-2-pyridylthiourea: structure in first source | ||
| 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione | methoxybenzenes | ||
| 4-phenylbenzoic acid (propan-2-ylideneamino) ester | biphenyls | ||
| nitrofurylacrylic acid | |||
| 5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidine-4-thione | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| N-(2-furanylmethyl)-3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| ceefourin 1 | ceefourin 1: inhibits multidrug resistance protein 4; structure in first source | ||
| stf 62247 | STF 62247: has antineoplastic activity; structure in first source | substituted aniline | |
| 1-(2-methoxyphenyl)-3-(2-pyridinyl)thiourea | thioureas | ||
| 3-methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone | quinazolines | ||
| 5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidine-4-thione | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 3-[(2,4-dichlorophenyl)methylthio]-1,2,4-thiadiazol-5-amine | dichlorobenzene | ||
| 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one | pyrazoles; ring assembly | ||
| 4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile | benzenes; nitrile | ||
| 4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazolimine | methoxybenzenes; substituted aniline | ||
| phenylthiazolylthiourea | Phenylthiazolylthiourea: A dopamine-beta-hydroxylase inhibitor. | ||
| 3-(1-azepanyl)-4-chloro-1-(2-methylphenyl)pyrrole-2,5-dione | maleimides | ||
| vu0038882 | VU0038882: structure in first source | ||
| 2-[(3-methyl-2-thiophenyl)methylidene]indene-1,3-dione | cyclic ketone; indanones | ||
| 5-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| N-(2,5-dimethylphenyl)-2-benzofurancarboxamide | aromatic amide; furans | ||
| 4,5-dimethylaminobenzylidene-2-thiobarbituric acid | |||
| 2-(thiophen-2-ylmethylidene)indene-1,3-dione | cyclic ketone; indanones | ||
| 2-phenylmethoxy-1-naphthalenecarboxaldehyde | naphthalenes | ||
| 2-amino-4-(2-furanyl)-3-thiophenecarboxylic acid ethyl ester | thiophenecarboxylic acid | ||
| krm iii | |||
| 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea | ureas | ||
| 5-amino-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl ester | pyrazolopyridine | ||
| 8-(2,5-dimethylphenoxy)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione | oxopurine | ||
| 3-[(4,8-dimethyl-2-quinolinyl)thio]propanoic acid | quinolines | ||
| acetic acid [2-(2-methylphenyl)-4-oxo-3,1-benzoxazin-7-yl] ester | benzoxazine | ||
| 3-pyridinecarboxylic acid (5-chloro-8-quinolinyl) ester | organochlorine compound; quinolines | ||
| 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile | bipyridines | ||
| N-(4-methoxyphenyl)carbamic acid (9-fluorenylideneamino) ester | fluorenes | ||
| N-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide | aromatic amide | ||
| 4-methyl-2-(2-naphthalenyl)-1-phthalazinone | phthalazines | ||
| 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile | quinolines | ||
| vu0099704 | VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source | ||
| 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine | triazoles | ||
| 2-(5,7-dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl ester | pyrazoles; ring assembly | ||
| 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone | isoquinolines | ||
| N-(4-anilinophenyl)-2,2,2-trichloroacetamide | anilide | ||
| N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamide | triazoles | ||
| 3-(2-phenoxyethyl)-1H-benzimidazole-2-thione | benzimidazoles | ||
| N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide | aromatic amide | ||
| 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione | thioureas | ||
| 2-(2-phenylethyl)-1,3-benzoxazol-5-amine | benzoxazole | ||
| N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | naphthalenecarboxamide | ||
| N-(4-methyl-2-thiazolyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide | benzothiazoles | ||
| 1-(3-((2',4'-Dimethyl-[4,5'-bithiazol]-2-yl)amino)phenyl)ethanone | aromatic ketone | ||
| 3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione | benzimidazoles | ||
| N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzamide | benzamides | ||
| 4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazinecarboxaldehyde | pyrimidines | ||
| 6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine | diamino-1,3,5-triazine | ||
| 2-(8-quinolinylthio)acetic acid phenacyl ester | aromatic ketone | ||
| 1-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]thione | isoquinolines | ||
| 2-(1-methyl-2-phenyl-3-indolyl)ethanol | phenylindole | ||
| 3-(4-methylphenyl)sulfonyl-1,3-benzoxazol-2-one | benzoxazole | ||
| 4-chloro-N-(4-methyl-2-thiazolyl)-2-nitrobenzamide | carbonyl compound; organohalogen compound | ||
| N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide | imidazoles | ||
| 2-[[acetamido(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester | thiophenecarboxylic acid | ||
| 1-[[(1-methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenol | naphthols | ||
| 1-[[2-(3-methylanilino)-1-oxoethyl]amino]-3-phenylthiourea | organonitrogen compound; organooxygen compound | ||
| [5-(4-nitrophenyl)-2-furanyl]-(1-piperidinyl)methanone | N-acylpiperidine | ||
| N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine | dialkylarylamine; tertiary amino compound | ||
| 2-bromo-N-(3-methoxyphenyl)benzamide | benzamides | ||
| 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol | aromatic ether; C-nitro compound | ||
| 4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester | aromatic ether | ||
| 5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole | aromatic ether | ||
| [4-(2-methylphenyl)-1-piperazinyl]-(4-nitrophenyl)methanethione | piperazines | ||
| [4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione | aromatic ether | ||
| 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea | thioureas | ||
| 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole | benzimidazoles | ||
| 2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone | stilbenoid | ||
| 3-(4-chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione | thioureas | ||
| 2-[4-(4-fluorophenyl)-2-thiazolyl]-5-methyl-4H-pyrazol-3-one | thiazoles | ||
| 1-(4-bromophenyl)-3-(2-phenylethyl)thiourea | thioureas | ||
| 5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 5-(4-chlorophenyl)-2-furanpropionic acid | 5-(4-chlorophenyl)-2-furanpropionic acid: related to orpanoxin; structure given in first source | ||
| 2-[(1-oxo-2-phenoxyethyl)amino]benzoic acid methyl ester | amidobenzoic acid | ||
| 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine | benzoxazole | ||
| N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester | toluenes | ||
| 6-(4-chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester | phenylpyridine | ||
| 2-methyl-N-(2-naphthalenyl)-3-furancarboxamide | naphthalenes | ||
| N-[(4-fluoroanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide | thioureas | ||
| N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide | C-nitro compound; furans | ||
| 7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2h-(1,4)-benzodiazepine-2-thione | 7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione: structure given in first source | ||
| 1-(3-chlorophenyl)-3-(phenylmethyl)thiourea | thioureas | ||
| 2-tert-butyl-N-(phenylmethyl)-4-pyridinecarboxamide | pyridinecarboxamide | ||
| 5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole | aromatic ether | ||
| 3-ethoxy-N-[(3-pyridinylamino)-sulfanylidenemethyl]benzamide | benzoic acids | ||
| N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenoxy)acetamide | benzodioxoles | ||
| 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]benzoic acid | aromatic amide; furans | ||
| 2-ethoxy-N-(2-hydroxyphenyl)benzamide | benzamides | ||
| 2-phenyl-1H-quinazoline-4-thione | quinazolines | ||
| 3-amino-5-phenyl-2-thiophenecarboxylic acid ethyl ester | thiophenecarboxylic acid | ||
| N-[4-(4-chlorophenyl)-3,5-dimethyl-2-thiazolylidene]-2-furancarboxamide | furoic acid | ||
| 2-(ethylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | quinazolines | ||
| 1-azepanyl-(4-methoxyphenyl)methanethione | methoxybenzenes | ||
| N-(2-bromo-4-methylphenyl)-5-ethyl-3-thiophenecarboxamide | aromatic amide | ||
| 2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide | benzamides | ||
| 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione | benzenes | ||
| 1-(3-methylphenyl)-3-[[oxo-(5-propyl-3-thiophenyl)methyl]amino]thiourea | aromatic amide; thiophenes | ||
| 3-(1-benzothiophen-3-yl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 4-(3-methylphenyl)-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 3-(2-methyl-3-furanyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide | C-nitro compound; furans | ||
| N-(2-chlorophenyl)-5-nitro-2-furancarboxamide | aromatic amide; furans | ||
| 3-[[(4-methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester | benzamides | ||
| 1-(4-methoxyphenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea | methoxybenzenes; substituted aniline | ||
| 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide | sulfonamide | ||
| js 3 | |||
| 6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzenes; triazolothiadiazole | ||
| 2-(3-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole | (trifluoromethyl)benzenes | ||
| 5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester | pyrazoles; ring assembly | ||
| N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide | benzodioxine | ||
| 5-(4-methylphenyl)-2-phenyl-3-pyrazolamine | pyrazoles; ring assembly | ||
| 5-(4-fluorophenyl)-2-thiophen-2-yloxazole | 1,3-oxazoles | ||
| 4-[[[2-(3-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester | benzoate ester | ||
| 2-(4-methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole | methoxybenzenes | ||
| (4-(3-chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone | (4-(3-chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone: structure in first source | ||
| 4-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl ester | benzoate ester | ||
| 3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione | naphthofuran | ||
| 3-bromo-N-[(tert-butylamino)-sulfanylidenemethyl]-4-methoxybenzamide | carbonyl compound; organohalogen compound | ||
| 4-(3,4-dimethylphenyl)-5-phenyl-2-thiazolamine | thiazoles | ||
| N-(2,4-dichlorophenyl)-1-piperidinecarbothioamide | thioureas | ||
| 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone | aromatic ketone | ||
| 3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 2-(2-phenylethylthio)-3-pyridinecarboxylic acid | aromatic carboxylic acid; pyridines | ||
| 4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamide | N-arylpiperazine | ||
| N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide | thioureas | ||
| 4-(2,4-dimethylphenyl)-2H-phthalazin-1-one | pyridazines; ring assembly | ||
| 5-(2-furanylmethylamino)-2-(4-methoxyphenyl)-4-oxazolecarbonitrile | 1,3-oxazoles | ||
| 1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea | aromatic ether | ||
| N-[anilino(sulfanylidene)methyl]-5-bromo-2-furancarboxamide | thioureas | ||
| N-(3-methoxyphenyl)-3-[(4-methylphenyl)thio]propanamide | anilide | ||
| 3-[5-(4-fluorophenyl)-1-(2-furanylmethyl)-2-pyrrolyl]propanoic acid | pyrroles | ||
| 3-[5-(4-methoxyphenyl)-1-prop-2-enyl-2-pyrrolyl]propanoic acid | pyrroles | ||
| 3-[1-(4-acetylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid | aromatic ketone | ||
| N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide | acetamides | ||
| 4-acetamidobenzoic acid (2-chlorophenyl)methyl ester | amidobenzoic acid | ||
| N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide | thiazoles | ||
| 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-methyl-1-propanone | piperazines | ||
| N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine | diamino-1,3,5-triazine | ||
| 4-[[(2-methyl-1,3-benzothiazol-6-yl)-oxomethyl]amino]benzoic acid methyl ester | aromatic amide | ||
| 2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide | anilide | ||
| 2-(2-methoxyphenyl)-1H-indole | phenylindole | ||
| 1-(6,8-dimethyl-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl)ethanone | pyrroloquinoline | ||
| 2-(4-chloro-2-methylanilino)-3-pyridinecarboxamide | pyridinecarboxamide | ||
| 4-methoxy-6-phenyl-1H-pyrimidine-2-thione | pyrimidines | ||
| 4-(1-oxopropylamino)benzoic acid (2-chlorophenyl)methyl ester | amidobenzoic acid | ||
| N-(4,5-dimethyl-2-thiazolyl)cyclohexanecarboxamide | thiazoles | ||
| 5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide | aromatic ether | ||
| 3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid | psoralens | ||
| 5-hydroxy-2-[[(4-methylphenyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester | benzofurans | ||
| 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole | phenylpyridine | ||
| 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| N'-(1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide | carbonyl compound; organohalogen compound | ||
| 4-methoxy-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide | benzoic acids | ||
| parthenolide, (1ar-(1ar*,4e,7as*,10as*,10br*))-isomer | germacranolide | ||
| 2-(2-cyclohexylidenehydrazinyl)-1-cyclohepta-2,4,6-trienone | cyclic ketone | ||
| 4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamide | sulfonamide | ||
| 2-(2-fluorophenyl)-5-(4-methyl-1-piperidinyl)-4-oxazolecarbonitrile | 1,3-oxazoles | ||
| 2-(4-ethoxyanilino)-3-methoxynaphthalene-1,4-dione | 1,4-naphthoquinones | ||
| 3-[(2-chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole | aryl sulfide | ||
| 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidobenzofuro[3,2-c]pyridin-2-ium | phenylpyridine | ||
| thiothixene | N-methylpiperazine | anticoronaviral agent | |
| 1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole | aromatic ether | ||
| N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide | benzodioxoles | ||
| 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone | aromatic ketone | ||
| 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 |
| N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide | ||
| 3-[[(3-acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester | aromatic ketone | ||
| 1-(2,4-dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea | ureas | ||
| N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide | acetamides; anilide | ||
| 4-[2-(3-methoxyanilino)-4-thiazolyl]phenol | methoxybenzenes; substituted aniline | ||
| 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-2-thiazolamine | dimethoxybenzene | ||
| 3-chloro-4-[(1-ethyl-2-benzimidazolyl)thio]aniline | aryl sulfide | ||
| 1-(1-naphthalenylmethoxy)benzotriazole | naphthalenes | ||
| 2,2-dimethyl-N-[[2-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]propanamide | thioureas | ||
| N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide | anilide | ||
| 1-(1-pyrrolidinyl)-2-(8-quinolinylthio)ethanone | quinolines | ||
| N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine | methoxybenzenes; substituted aniline | ||
| 1-(4-bromophenyl)-3-(2-fluorophenyl)thiourea | thioureas | ||
| 4-[2-(9-methyl-6-indolo[3,2-b]quinoxalinyl)ethyl]morpholine | quinoxaline derivative | ||
| 1-(3,4-dichlorophenyl)-3-(3,5-dimethylphenyl)thiourea | thioureas | ||
| 5-(5-bromo-2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide | sulfonamide | ||
| 1-[[[2-(difluoromethoxy)phenyl]-oxomethyl]amino]-3-(3-methylphenyl)thiourea | benzoic acids | ||
| 6-(4-benzoyl-1-piperazinyl)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile | piperazines; pyridines | ||
| 1-[[[2-(2,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-3-phenylurea | quinolines | ||
| 2-[(5-bromo-2-thiophenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide | sulfonamide | ||
| 2-(3-bromophenyl)-N-(4,5-dihydrothiazol-2-yl)-4-quinolinecarboxamide | quinolines | ||
| 1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-fluorophenyl)thiourea | dichlorobenzene | ||
| 2-bromo-N-[2,3-dihydroindol-1-yl(sulfanylidene)methyl]benzamide | carbonyl compound; organohalogen compound | ||
| N-[3-chloro-2-(4-morpholinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide | aromatic amide | ||
| N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine | benzothiazoles | ||
| 6-chloro-4-phenyl-3-(1-phenyl-5-tetrazolyl)quinoline | quinolines | ||
| 8-[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane | pyrazoles; ring assembly | ||
| 5-amino-4-[anilino(oxo)methyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester | aromatic amide | ||
| N-[2-(2-pyridinyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide | benzimidazoles | ||
| 5-(3-chlorophenyl)-N-(2-propyl-5-tetrazolyl)-2-furancarboxamide | aromatic amide; heteroarene | ||
| 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide | naphthyridine derivative | ||
| 3-[2-(3-methylphenoxy)ethyl]-1,3-benzothiazol-2-one | benzothiazoles | ||
| 3-[2-(4-methylphenoxy)ethyl]-1,3-benzothiazol-2-one | benzothiazoles | ||
| N-(1,3-benzothiazol-2-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide | sulfonamide | ||
| [3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanone | piperazines | ||
| [4-(2-methoxyphenyl)-1-piperazinyl]-[5-(4-methylphenyl)-3-isoxazolyl]methanone | piperazines | ||
| [4-[[5-(2,4-dichlorophenyl)-3-isoxazolyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone | dichlorobenzene | ||
| 6-(4,5-dihydrothiazol-2-ylthio)-N2,N4-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine | diamino-1,3,5-triazine | ||
| N-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-diethoxyphenyl]benzamide | benzamides | ||
| (E)-4-Phenyl-2-(3-(thiophen-2-yl)acrylamido)thiophene-3-carboxylic acid | thiophenecarboxylic acid | anticoronaviral agent | |
| 5-chloro-4-(4-methylphenyl)sulfonyl-N-phenyl-2-thiazolamine | sulfonic acid derivative | ||
| 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone | pyrroles | ||
| 2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester | amino acid amide | ||
| 2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine | morpholines | ||
| 4-(5,6-dimethyl-1-benzimidazolyl)-5-phenylthieno[2,3-d]pyrimidine | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| 4-(4-ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester | quinazolines | ||
| 3-methoxy-4-(2-methoxy-3-methoxycarbonyl-1-naphthalenyl)-2-naphthalenecarboxylic acid methyl ester | naphthoic acid | ||
| 1-(2-chloro-10-phenothiazinyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone | phenothiazines | ||
| 4-(3-bromophenyl)-2-(4-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine | pyridazines; ring assembly | ||
| 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine | pyridazines; ring assembly | ||
| N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | aromatic amide | ||
| 5-bromo-2-furancarboxylic acid (3-benzamidophenyl) ester | benzamides | ||
| (4-phenyl-1-piperazinyl)-(9H-xanthen-9-yl)methanone | xanthenes | ||
| [4-(4-fluorophenyl)-1-piperazinyl]-(2-methyl-3-pyrazolyl)methanone | piperazines | ||
| N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazide | carbohydrazide; pyrazines | ||
| 2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide | aromatic ether | ||
| N-[[1-(benzenesulfonyl)-4-piperidinyl]methyl]benzenesulfonamide | sulfonamide | ||
| LSM-27108 | quinolines | ||
| 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide | benzisoxazole | ||
| 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(1-piperidinyl)oxazole | 1,3-oxazoles | ||
| N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamide | aromatic amide; thiophenes | ||
| 2-[[(2,3-dimethoxyphenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide | dimethoxybenzene | ||
| N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide | methoxybenzenes | ||
| [4-(2-methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanone | piperazines | ||
| N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamide | benzenes | ||
| 2-[(4-chlorophenyl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide | aryl sulfide | ||
| 5-[[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole | triazoles | ||
| 2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-phenylbenzamide | benzamides | ||
| LSM-28559 | pyridopyrimidine | ||
| 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine | piperazines | ||
| [4-(2,3-dimethylphenyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone | piperazines | ||
| 1-oxo-3-(1-piperidinyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]indole-2-carbonitrile | indoles | ||
| 2-(1-imidazolyl)-4-phenyl-6-(4-phenyl-1-piperazinyl)-1,3,5-triazine | piperazines | ||
| 4-(5-methyl-2-furanyl)-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester | amino acid amide | ||
| 2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone | aromatic ether | ||
| 2-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| 4,6-bis(1-pyrrolidinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine | (trifluoromethyl)benzenes | ||
| 2-(4-chlorophenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamide | thioureas | ||
| 4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide | benzamides | ||
| N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide | aromatic amide | ||
| 2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide | aromatic ether | ||
| vu0405601 | VU0405601: reduces sensitivity of hERG to inhibition by multiple blockers and prevents arrhythmias; structure in first source | ||
| N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide | coumarins | ||
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | aromatic ether | ||
| N-(2-methyl-5-nitrophenyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine | C-nitro compound | ||
| 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl ester | naphthyridine derivative | ||
| darunavir ethanolate | phenothiazines | ||
| 1-(4-bromophenyl)-3-(3-methylbutyl)thiourea | thioureas | ||
| 4-bromo-3-nitrobenzoic acid [2-[anilino(oxo)methyl]phenyl] ester | carbonyl compound | ||
| 2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzothiazole | benzothiazoles | ||
| N-(4-methylphenyl)-4-benzofuro[3,2-d]pyrimidinamine | benzofurans | ||
| N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | methoxybenzenes | ||
| 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione | benzothiazoles | ||
| (4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone | aromatic ketone | ||
| 2-furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone | N-arylpiperazine | ||
| [4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone | N-arylpiperazine | ||
| LSM-28273 | pyrazoles; ring assembly | ||
| N-[6-[[cyclohexyl(oxo)methyl]amino]-3-pyridinyl]-2-pyridinecarboxamide | pyridinecarboxamide | ||
| 7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile | piperazines; pyridines | ||
| 4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimine | organochlorine compound | ||
| 4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide | benzamides | ||
| 3-[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-(phenylmethyl)-2-pyridinone | aryl sulfide | ||
| 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 2-[2-[2-(3-fluorophenyl)-4-thiazolyl]ethyl]isoindole-1,3-dione | phthalimides | ||
| 4-[(4-chloro-1-naphthalenyl)oxy]-5-methoxy-2-(2-pyridinyl)pyrimidine | organonitrogen heterocyclic compound | ||
| 4-[2-[(3,4-dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholine | dichlorobenzene | ||
| 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine | pyrazoles; ring assembly | ||
| 4-[(2-chloro-5-thiazolyl)methylthio]benzoic acid | sulfanylbenzoic acid | ||
| 5-[3-[(2,4-dichlorophenyl)methoxy]-2-thiophenyl]-1,2-dihydro-1,2,4-triazole-3-thione | dichlorobenzene | ||
| 4-[2-[(2,4-dichlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]morpholine | dichlorobenzene | ||
| 5-[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-3-(methylthio)-1H-1,2,4-triazole | aryl sulfide | ||
| (4-chlorophenyl)-[5-(4-morpholinyl)-4-(2-pyridinyl)-2-thiophenyl]methanone | aromatic ketone | ||
| 2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile | aromatic ether | ||
| (4-chlorophenyl)-[4-[[(2,4-dichlorophenyl)thio]methyl]-4-hydroxy-1-piperidinyl]methanone | benzamides; N-acylpiperidine | ||
| N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester | carboxylic ester | ||
| 2-[(2,4-dichlorophenyl)methylthio]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-4-quinazolinimine | quinazolines | ||
| 6-fluoro-2-phenyl-1,2-benzothiazol-3-one | benzothiazoles | ||
| 6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| 4,6-bis(1-imidazolyl)-N,N-diphenyl-1,3,5-triazin-2-amine | substituted aniline | ||
| 4-[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]morpholine | pyrroles | ||
| 4-(1-benzimidazolyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| 2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone | aromatic ketone | ||
| sulindac | sulindac : A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions. Sulindac: A sulfinylindene derivative prodrug whose sulfinyl moiety is converted in vivo to an active NSAID analgesic. Specifically, the prodrug is converted by liver enzymes to a sulfide which is excreted in the bile and then reabsorbed from the intestine. This helps to maintain constant blood levels with reduced gastrointestinal side effects. | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
| aurapten | aurapten: RN refers to (E)-isomer; structure given in first source auraptene : A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties. | coumarins; monoterpenoid | antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary |
| 4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester | pyrimidinecarboxylic acid | ||
| 4-[[(3,6-dichloro-2-methoxyphenyl)-oxomethyl]amino]benzoic acid propyl ester | benzamides | ||
| 1-[[1-oxo-2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]-3-phenylthiourea | aryl sulfide | ||
| 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetic acid butyl ester | coumarins | ||
| 2-chloro-3-(prop-2-enylamino)naphthalene-1,4-dione | 1,4-naphthoquinones | ||
| 6-[4,6-bis(4-methoxyphenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one | phenylpyridine | ||
| 4-methyl-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide | benzoic acids | ||
| N-[(benzenesulfonylhydrazo)-sulfanylidenemethyl]-4-methylbenzamide | sulfonamide | ||
| 5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl ester | aromatic amide; thiophenes | ||
| 4-butyl-3-(5-ethyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acid | N-acyl-L-amino acid | ||
| N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide | benzoic acids | ||
| 2-methyl-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide | benzoic acids | ||
| 2-chloro-4,6-diphenylpyrimidine | pyrimidines | ||
| 1-[2-(2-methylphenoxy)ethyl]-3-phenylthiourea | thioureas | ||
| 2-butoxy-3-phenyl-4-quinazolinone | quinazolines | ||
| N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine | aromatic ether | ||
| 4-[4-(3-chlorophenyl)-1-piperazinyl]aniline | piperazines | ||
| zln024 | ZLN024: an AMP-activated protein kinase activator; structure in first source | ||
| 4-(1-benzotriazolyl)-3,5-dinitrobenzonitrile | triazoles | ||
| 4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione | pyrazoles; ring assembly | ||
| 5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine | pyrazoles; ring assembly | ||
| 5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester | benzofurans | ||
| 3-phenyl-2-propan-2-yl[1]benzopyrano[2,3-d]pyrimidine-4,5-dione | chromones | ||
| 1-[2-[(3-chloro-4-methoxyphenyl)methylthio]ethyl]-3-phenylthiourea | thioureas | ||
| xl147 | aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
| 6-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one | coumarins | ||
| N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide | naphthalenes; sulfonic acid derivative | ||
| 4-(2,4-dichlorophenoxy)-N-(3-pyridinyl)butanamide | dichlorobenzene | ||
| N-(4-fluorophenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide | diarylmethane | ||
| N,N-bis(2-methoxyethyl)-2-thieno[3,2-b][1]benzothiolecarboxamide | 1-benzothiophenes | ||
| N-(4,5-diphenyl-2-oxazolyl)-3-methoxybenzamide | 1,3-oxazoles | ||
| 3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide | aromatic amide | ||
| 4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole | aromatic ether | ||
| 2-(4-fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione | quinolines | ||
| 6-(2-chloro-1-oxoethyl)-3H-1,3-benzoxazol-2-one | benzoxazole | ||
| 2,4-dibromo-6-[(3-quinolinylamino)methyl]phenol | aminoquinoline | ||
| N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide | N-arylpiperazine | ||
| 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(2-methoxyphenyl)thiourea | thioureas | ||
| 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)thio]ethyl]thiourea | thioureas | ||
| 1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester | indolecarboxamide | ||
| 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
| 2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-one | aryl sulfide | ||
| (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine | benzothiazoles | ||
| N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide | sulfonamide | ||
| cuspin-1 | cuspin-1: cuspin-1 - Chemical Upregulator of SMN Protein-1; structure in first source | ||
| 5,6-dimethyl-N-(thiophen-2-ylmethyl)-4-thieno[2,3-d]pyrimidinamine | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone | stilbenoid | ||
| 4-(dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester | benzoate ester | ||
| 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester | benzothiazoles | ||
| N-(4,5-dihydrothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide | quinolines | ||
| 3-hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester | naphthoic acid | ||
| 4-(2,4-dichlorophenoxy)butanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester | dichlorobenzene | ||
| 4-[4-(phenylmethyl)-1-piperidinyl]thieno[2,3-d]pyrimidine | piperidines; thienopyrimidine | ||
| 2-chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone | aromatic ketone | ||
| 2,5-difluoro-N-[2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]benzenesulfonamide | sulfonamide | ||
| 2-[(6-chloro-1-benzotriazolyl)oxy]-N-(4-fluorophenyl)acetamide | benzotriazoles | ||
| 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| N-phenyl-5-(propan-2-ylthio)-1,3,4-thiadiazol-2-amine | aryl sulfide | ||
| 5-bromo-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3-pyridinecarboxamide | aromatic amide | ||
| 2-methyl-3-[oxo(thiophen-2-yl)methyl]-1-indolizinecarboxaldehyde | indolizines | ||
| 4,5-dimethoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester | methoxybenzoic acid | ||
| 2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester | monocarboxylic acid | ||
| 2,6-dichloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide | sulfonamide | ||
| N-[3-(6-methyl-4-phenyl-2-quinolinyl)phenyl]methanesulfonamide | quinolines | ||
| 4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide | quinazolines | ||
| N-[(4-methoxyphenyl)methyl]-2-methyl-4,9-dioxo-3-benzo[f]benzofurancarboxamide | naphthofuran | ||
| N-(4-acetylphenyl)-5-[(phenylthio)methyl]-2-furancarboxamide | aromatic amide; furans | ||
| N-(4-methoxyphenyl)-5-(phenoxymethyl)-2-furancarboxamide | aromatic amide; furans | ||
| 3-cyclohexyl-N-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)propanamide | aromatic amide | ||
| 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one | benzofurans | ||
| (4-tert-butylphenyl)-[2-(4-fluorophenyl)-8-methyl-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]methanone | azaspiro compound | ||
| 4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide | sulfonamide | ||
| 4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide | sulfonamide | ||
| 3-[[2-furanyl(oxo)methyl]amino]-1H-indole-2-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
| 3-[(3,3-dimethyl-1-oxobutyl)amino]-1H-indole-2-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
| 4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone | aromatic ether | ||
| 1-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-3-propylthiourea | quinoxaline derivative | ||
| 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone | quinolines | ||
| 5-bromo-N-(2-phenylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| 2-[2-(1-naphthalenyloxy)ethylthio]pyrimidine | naphthalenes | ||
| 1-(4-butylphenyl)-3-(4-morpholinyl)thiourea | morpholines | ||
| 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]acetic acid ethyl ester | aryl sulfide | ||
| 1-[3-(4-phenylphenoxy)propyl]-1,2,4-triazole | biphenyls | ||
| N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamide | aromatic amide; furans | ||
| 2,5-dimethoxybenzenesulfonic acid (1,3-dioxo-2-isoindolyl) ester | phthalimides | ||
| 2-(2-bromo-4-tert-butylphenoxy)-N-(2-furanylmethyl)acetamide | alkylbenzene | ||
| 1-(4-bromo-2-chlorophenyl)-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea | pyridinecarboxamide | ||
| 1-[5-(2-furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone | triazoles | ||
| 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione | triazoles | ||
| N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | alkylbenzene | ||
| N-(4-methyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide | xanthenes | ||
| N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 5-bromo-N-[2-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 1-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea | ureas | ||
| 3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone | aralkylamine | ||
| 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)benzamide | benzamides | ||
| 4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester | piperazinecarboxylic acid | ||
| 8-quinolinecarboxylic acid phenyl ester | quinolines | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamide | dibenzofurans | ||
| 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide | benzamides | ||
| 4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde | aromatic ether | ||
| 3-(2-bromophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | triazolothiadiazole | ||
| N-(4-chlorophenyl)-4-methyl-2-thiazolamine | substituted aniline | ||
| 2-(5-bromo-2-furanyl)-6-methyl-3,1-benzoxazin-4-one | benzoxazine | ||
| 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester | aromatic ether; C-nitro compound | ||
| N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-2-furancarboxamide | naphthols | ||
| N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2,2-dimethylpropanamide | carbonyl compound; organohalogen compound | ||
| 2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester | coumarins | ||
| 2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester | coumarins | ||
| 4-chloro-N-[(2-methylpropylamino)-sulfanylidenemethyl]benzamide | carbonyl compound; organohalogen compound | ||
| 2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
| 2-(2,4-dichloro-6-methylphenoxy)-N-(2-furanylmethyl)acetamide | dichlorobenzene | ||
| 3,4-dimethyl-N-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]benzamide | thioureas | ||
| 2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamide | acetamides | ||
| 3,4-dimethoxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide | benzamides | ||
| 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-4-methylbenzene | methoxybenzenes | ||
| 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline | quinolines | ||
| 1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | aromatic ether; C-nitro compound | ||
| N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]pentanamide | fatty amide | ||
| 5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinamine | pyrazolopyrimidine | ||
| 1-[(7-chloro-4-quinolinyl)amino]-3-(2,4-dichlorophenyl)thiourea | organochlorine compound; quinolines | ||
| 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester | benzamides | ||
| [[2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester | aromatic amide | ||
| 3-methyl-N,1-diphenyl-4-pyrazolecarbothioamide | pyrazoles; ring assembly | ||
| 2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-one | sulfonamide | ||
| 1-(2-chlorophenyl)-3-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]thiourea | benzimidazoles | ||
| 1-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide | pyrazoles; ring assembly | ||
| N2-(4-methylphenyl)benzene-1,2-diamine | aminotoluene | ||
| 2-(1H-benzimidazol-2-ylthio)-N-(2-methoxy-3-dibenzofuranyl)acetamide | dibenzofurans | ||
| 1-[4-(difluoromethylthio)phenyl]-3-(phenylmethyl)thiourea | thioureas | ||
| 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester | morpholines | ||
| N-(5-methyl-3-isoxazolyl)-2-(2-naphthalenylthio)acetamide | naphthalenes | ||
| 2-[4-(4-chlorophenyl)-2-thiazolyl]ethanethioamide | thiazoles | ||
| 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester | aromatic ether | ||
| 4-(dimethylamino)benzoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester | aromatic ketone | ||
| 2-[2-(4-fluoroanilino)-4-thiophen-2-yl-5-thiazolyl]acetic acid | thiazoles | ||
| 2-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-4-thiophen-2-ylthiazole | thiazoles | ||
| 4-(4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| N-[(1-adamantylamino)-oxomethyl]-2-chloroacetamide | N-acylurea | ||
| 2-(2-phenylanilino)-N-(phenylmethyl)acetamide | biphenyls | ||
| 6-methyl-12-indolo[1,2-c]quinazolinamine | organic heterotetracyclic compound; organonitrogen heterocyclic compound | ||
| 4-hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester | 4-hydroxybenzoate ester | ||
| 2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide | aromatic amine; tertiary amino compound | ||
| N-(2-phenylethyl)-1,3-benzothiazol-2-amine | benzothiazoles | ||
| thiocyanic acid [4-[(2-chloro-1-oxoethyl)amino]-3,5-dimethylphenyl] ester | anilide | ||
| 2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester | benzoate ester; phenols | ||
| 2-chloro-N-[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]acetamide | organochlorine compound | ||
| 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamide | aromatic amide | ||
| 3-[(4-chlorophenyl)thio]-1-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-propanone | piperazines | ||
| 1-(2-chlorophenyl)-3-(3-phenylpropyl)thiourea | thioureas | ||
| 4,6,8-trimethyl-1H-quinoline-2-thione | quinolines | ||
| 2-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]acetamide | aryl sulfide | ||
| N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamide | aromatic amide; thiophenes | ||
| N2-[5-(3-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine | pyrazoles; ring assembly | ||
| 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone | piperazines | ||
| 2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one | pyrazoles; ring assembly | ||
| 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1-piperidinyl)thieno[2,3-d]pyrimidine | dimethoxybenzene; thienopyrimidine | ||
| 2-chloro-N-[(5-chloro-2-thiophenyl)methyl]-N-methylacetamide | thiophenes | ||
| 5-methyl-2-(2-phenylethylamino)-4-thiazolecarboxylic acid ethyl ester | aromatic carboxylic acid; thiazoles | ||
| [2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone | N-arylpiperazine | ||
| 2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide | quinazolines | ||
| N-(3,4-dimethoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinamine | dimethoxybenzene; thienopyrimidine | ||
| N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide | benzimidazoles | ||
| 2-(4-chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole | aryl sulfide | ||
| 4-(3,4-dimethoxyphenyl)-2-thiophen-2-ylthiazole | dimethoxybenzene | ||
| 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxaldehyde | pyrazoles; ring assembly | ||
| N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide | aromatic amide | ||
| 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline | quinoxaline derivative | ||
| 2,4-dithiophen-2-ylthiazole | thiazoles | ||
| N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolamine | tetrazoles | ||
| N,N-diethyl-3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide | triazoles | ||
| 1,3-benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] ester | benzothiazoles | ||
| 5-(3-fluorophenoxy)-8-nitroisoquinoline | aromatic ether | ||
| N-[(4-fluorophenyl)methyl]-2-[4-[(4-fluorophenyl)-oxomethyl]phenoxy]acetamide | benzophenones | ||
| 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester | benzamides | ||
| N-(5-methyl-2-thiazolyl)cyclopentanecarboxamide | aromatic amide | ||
| [4-(3-chlorophenyl)-1-piperazinyl]-(2,5-dimethyl-3-furanyl)methanone | piperazines | ||
| N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]acetamide | benzodioxine | ||
| 1-[2-(4-methoxyphenoxy)ethylthio]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | triazolobenzothiazole | ||
| 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone | benzoxazole | ||
| 5-nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester | carboxylic ester | ||
| 2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide | aromatic ether | ||
| 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-3-dibenzofuranyl)acetamide | dibenzofurans | ||
| phenacylamine monohydrochloride | |||
| (1R,2S)-tranylcypromine hydrochloride | (1R,2S)-tranylcypromine hydrochloride : A hydrochloride obtained by combining (1R,2S)-tranylcypromine with one equivalent of hydrochloric acid. | hydrochloride | |
| tacrine hydrochloride | |||
| 5-chloro-2-mercaptobenzothiazole | |||
| benzoylarginine nitroanilide | |||
| 5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile | substituted aniline | ||
| N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamide | naphthothiazole | ||
| N-(4-bromophenyl)-4-(2-methoxyphenyl)-1-piperidinecarbothioamide | piperidines | ||
| 1-(3-chlorophenyl)biguanide hydrochloride | |||
| 5-(1-naphthalenylamino)-3H-1,3,4-thiadiazole-2-thione | naphthalenes | ||
| 4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer | |||
| capsazepine | capsazepine : A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist. capsazepine: modified capsaicin molecule; a capsaicin receptor antagonist | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
| 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 | |
| branigen | |||
| Methyl indole-5-carboxylate | indolyl carboxylic acid | ||
| 2-{1-[2-(1-benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl}acetic acid | 1-benzothiophenes | ||
| 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine | (trifluoromethyl)benzenes | ||
| N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide | ring assembly; thiophenes | ||
| 4-(2-fluorophenyl)-N-(2-methylbut-3-yn-2-yl)benzamide | biphenyls | ||
| Ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate | piperazines | ||
| N-(4-chlorophenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide | aromatic amide | ||
| N'-[(4-chlorophenyl)-oxomethyl]-2-thiophen-2-yl-4-thiazolecarbohydrazide | carbonyl compound; organohalogen compound | ||
| 4-[3-(2,4-dichlorophenyl)-5-isoxazolyl]-2-pyrimidinamine | dichlorobenzene | ||
| N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamide | anilide | ||
| bi-78d3 | aryl sulfide | ||
| 3-[5-[anilino(oxo)methyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester | aromatic amide; furans | ||
| 4-(3-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine | pyrazoles; ring assembly | ||
| 4-(dimethylamino)-3-[(phenylmethoxyamino)methylideneamino]-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester | thienopyridine | ||
| 2-[(2-methylphenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole | aryl sulfide | ||
| 3-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole | pyrazoles; ring assembly | ||
| 5-cyano-6-phenoxy-2-phenyl-3-pyridinecarboxylic acid ethyl ester | phenylpyridine | ||
| t 0070907 | T 0070907: a PPARgamma antagonist; structure in first source | carbonyl compound; organohalogen compound | |
| 2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine | quinazolines | ||
| 3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)pyrrole-2,5-dione | maleimides | ||
| cgp 74514a | |||
| gsk 3787 | |||
| 6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine | 6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine: inhibitor of SARS-CoV main protease; structure in first source | sulfonic acid derivative | anticoronaviral agent |
| ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate | ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate : The ethyl ester of 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid. | ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide | |
| jnj-1661010 | N-arylpiperazine | ||
| 5-tert-butyl-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide | aromatic amide | ||
| [4-(2-methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone | piperidines | ||
| N'-(3-chloro-4-methylphenyl)-5-isoxazolecarbohydrazide | phenylhydrazines | ||
| N'-(4-chloro-2-methylphenyl)-4-methyl-5-thiadiazolecarbohydrazide | phenylhydrazines | ||
| N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide | aromatic ether | ||
| 4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester | piperidines | ||
| (2-anilino-4-methyl-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone | aromatic ketone | ||
| 3-oxo-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]butanoic acid ethyl ester | pyrimidines | ||
| 2-(3,4-dimethoxyphenyl)quinoline | 2-(3,4-dimethoxyphenyl)quinoline: enhances ciprofloxacin activity; structure in first source | quinolines | |
| N-(2-chlorophenyl)-5-(2-pyridinyl)-2-thiophenecarboxamide | aromatic amide | ||
| p5091 | P5091: inhibits ubiquitin-specific protease 7; structure in first source | ||
| 3,3-dimethyl-1-[[9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]thio]-2-butanone | quinazolines | ||
| 1-(3,5-dichlorophenyl)-3-[2-(2-furanylmethylthio)ethyl]urea | ureas | ||
| olivetolic acid | olivetolic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively. olivetolic acid: structure in first source | benzoic acids; monocarboxylic acid; polyketide; resorcinols | metabolite |
| 2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol | benzenoid aromatic compound | ||
| 2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | monoterpenoid | ||
| N-[[1,3-dioxo-2-(phenylmethyl)-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-methoxybenzamide | isoindoles | ||
| N-[(2-chloroanilino)-sulfanylidenemethyl]-2-furancarboxamide | thioureas | ||
| 1-(4-ethoxyphenyl)-3-[methyl-(phenylmethyl)amino]pyrrolidine-2,5-dione | pyrrolidines | ||
| 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine | dialkylarylamine; tertiary amino compound | ||
| 3-benzylbenzothiazolium | 3-benzylbenzothiazolium: RN refers to bromide | ||
| 1-hexadecyl-3-methylimidazolium bromide | 1-hexadecyl-3-methylimidazolium bromide: structure in first source | ||
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester | methoxybenzenes; phenols | ||
| 1-(3,5-dichlorophenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dione | pyrrolidines | ||
| N-[2-(3-methylphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline | morpholines | ||
| N-[2-(4-methoxyphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline | morpholines | ||
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester | methoxybenzenes; phenols | ||
| 2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol | aromatic compound | ||
| 4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester | amidobenzoic acid | ||
| 1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea | thioureas | ||
| N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| 1-[8-chloro-4-(1-naphthalenyl)-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl]ethanone | quinolines | ||
| 1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione | pyrrolidines | ||
| LSM-19663 | quinazolines | ||
| 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one | benzimidazoles | ||
| N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide | monoterpenoid | ||
| N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide | monoterpenoid | ||
| 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone | aromatic ketone | ||
| [4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone | piperazines | ||
| 2-[[(1-butyl-2-benzimidazolyl)amino]methyl]phenol | benzimidazoles | ||
| N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-2-furancarboxamide | benzodioxine | ||
| N-cyclohexyl-4-(4-nitrophenyl)-1-piperazinecarbothioamide | piperazines | ||
| N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide | C-nitro compound | ||
| 4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one | C-nitro compound | ||
| N-[1-(4-bromophenyl)ethyl]cyclobutanecarboxamide | organobromine compound | ||
| 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile | methoxybenzenes; phenols | ||
| 5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
| 1-azepanyl-[2-(phenylmethyl)-1-benzimidazolyl]methanone | benzimidazoles | ||
| 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)-(2-pyridinyl)methyl]-1-methyl-2-sulfanylidene-4-pyrimidinone | hydroxypyrimidine | ||
| benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester | benzenesulfonate ester | ||
| N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamide | sulfonamide | ||
| 6-[[(2-methoxycarbonyl-3-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid | thiophenecarboxylic acid | ||
| 2,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide | dimethoxybenzene | ||
| 2-[[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetic acid methyl ester | alpha-amino acid ester | ||
| 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid | pyrazoles; ring assembly | ||
| 4-[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine | pyrazoles; ring assembly | ||
| 1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
| 2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid | pyrrolidines | ||
| N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1-piperidinecarbothioamide | thioureas | ||
| 4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-oxoethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide | aromatic ether | ||
| 3-(4-methoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide | methoxybenzenes | ||
| N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide | benzamides | ||
| N-[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide | benzamides | ||
| 1-(1,3-benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)urea | ureas | ||
| N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]propanamide | piperazines | ||
| 4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide | piperazines | ||
| 2-chloro-5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
| N-(4,5-dihydrothiazol-2-yl)-3,5-dimethyl-1-adamantanecarboxamide | thiazoles | ||
| 2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester | phthalate ester | ||
| 1-[1-(1-adamantyl)butyl]-3-(2-oxolanylmethyl)thiourea | oxolanes | ||
| 5-chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinol | organochlorine compound; quinolines | ||
| 1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)urea | piperazines | ||
| N-[4-[[4-(4-acetamidoanilino)-6-(4-ethyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide | N-arylpiperazine | ||
| 1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole | imidazoles | ||
| 2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-(2-methoxyphenyl)acetamide | indolyl carboxylic acid | ||
| cb 7969312 | organochlorine compound; quinolines | ||
| 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl ester | pyrimidines | ||
| LSM-18518 | quinolines | ||
| 3-methyl-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]benzamide | quinolines | ||
| 4-[(1-ethyl-6-methyl-4-pyrazolo[3,4-b]pyridinyl)oxymethyl]benzonitrile | pyrazolopyridine | ||
| 1-(2-furanyl)-3-(phenylthio)-3-thiophen-2-yl-1-propanone | aryl sulfide | ||
| 2-[[2-(4-ethyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide | imidazolidine-2,4-dione | ||
| 7-[[[1-(3-methylphenyl)-2-benzimidazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone | benzimidazoles | ||
| 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone | pyrroles | ||
| (2,5-dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone | aromatic ketone | ||
| 5-[4-(1-imidazolyl)phenoxy]-1-phenyltetrazole | tetrazoles | ||
| 2-ethoxy-3-pyridinecarboxylic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester | imidazopyridine | ||
| 2-(1,3-diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone | pyrazoles; ring assembly | ||
| N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide | aromatic amide | ||
| N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methoxy-3-benzofuranyl)-N-methylacetamide | benzodioxine | ||
| 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester | pyrazoles; ring assembly | ||
| 2-(4-chloro-2-methylphenoxy)-N-[2-(4-morpholinyl)phenyl]propanamide | morpholines | ||
| 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | phthalazines | ||
| 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester | quinolines | ||
| N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide | sulfonamide | ||
| 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione | pyrroles | ||
| 2-acetylpyridine-(4-phenylthiosemicarbazone) | 2-acetylpyridine-(4-phenylthiosemicarbazone): structure given in first source | ||
| nsc 336628 | |||
| 1,4-dimethoxy-10H-acridine-9-thione | acridines | ||
| bms 387032 | N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide: a CDK2 inhibitor with antineoplastic activity; structure in first source N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties. | 1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| p-201-1 | |||
| raclopride | Raclopride: A substituted benzamide that has antipsychotic properties. It is a dopamine D2 receptor (see RECEPTORS, DOPAMINE D2) antagonist. | salicylamides | |
| monooctanoin | 1-monooctanoylglycerol : A 1-monoglyceride that has octanoyl as the acyl group. monooctanoin: dissolution agent for retained cholesterol bile duct stones; RN in Chemline for octanoic acid, ester with 1,2,3-propanetriol, MF unknown: 11140-04-8; RN for octanoic acid, 2,3-dihydroxypropyl ester (1-monooctanoin): 502-54-5; RN in 9th CI Form Index for (+-)-1-monooctanoin: 19670-49-6 rac-1-monooctanoylglycerol : A rac-1-monoacylglycerol comprising equal amounts of 1-octanoyl-sn-glycerol and 3-octanoyl-sn-glycerol. | 1-monoglyceride; octanoate ester; rac-1-monoacylglycerol | |
| 7-deacetylgedunin | 7-deacetylgedunin : A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. | cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; antimalarial; metabolite; plant metabolite |
| omephine | omephine: do not confuse with omifin, synonym to clomiphene dihydrogen citrate; structure in Negwer, 5th ed, #2964 | ||
| 7-chloro-thiokynurenate | 7-chlorothiokynurenic acid: glycine site antagonist of NMDA receptor | ||
| win 33377 | WIN 33377: structure in first source | ||
| sf 2370 | K-252a : A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a SF 2370: indolocarbazole isolated from Actinomadura sp. SF-2370; structure given in first source | bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound | antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist |
| 2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | 2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source | ||
| u-50488 | 3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer: A non-peptide, kappa-opioid receptor agonist which has also been found to stimulate the release of adrenocorticotropin (ADRENOCORTICOTROPIC HORMONE) via the release of hypothalamic arginine vasopressin (ARGININE VASOPRESSIN) and CORTICOTROPIN-RELEASING HORMONE. (From J Pharmacol Exp Ther 1997;280(1):416-21) U50488 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine | dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine | analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist |
| bp 897 | BP 897: a dopamine D3 receptor agonist; structure in first source | naphthalenecarboxamide | |
| piribedil | |||
| tandutinib | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| vx-745 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | |
| rivoglitazone | rivoglitazone: structure in first source | ||
| 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 |
| ha 1100 | HA 1100: intracellular calcium antagonist | ||
| 7-epi-hydroxystaurosporine | |||
| oxalylglycine | N-oxalylglycine : An amino dicarboxylic acid that is iminodiacetic acid with an oxo substituent. It is used as an inhibitor of alpha-ketoglutarate dependent (EC 1.14.11.*) enzymes. oxalylglycine: structure given in first source | amino dicarboxylic acid; N-acylglycine | EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor |
| zd 6474 | CH 331: structure in first source | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
| mefexamide | |||
| bakuchicin | bakuchicin: a hepatoprotective compound of Psoralea corylifolia (Leguminosae); structure in first source | ||
| N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide | organonitrogen compound; organooxygen compound | ||
| 3-(4-fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazole | pyrazoles; ring assembly | ||
| phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone | aromatic ketone | ||
| 5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine | C-nitro compound | ||
| 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine | naphthalenes | ||
| 2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile | indoles | ||
| N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyaniline | triazoles | ||
| 3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide | C-nitro compound | ||
| 2-oxo-4-phenyl-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile | tetrahydropyridine | ||
| N-(2,5-dimethoxyphenyl)-4-(2,4-dimethyl-5-thiazolyl)-2-thiazolamine | dimethoxybenzene | ||
| 2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester | coumarins | ||
| 3-methyl-1-(3-propan-2-yloxypropylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile | pyridobenzimidazole | ||
| 2-methyl-N-[1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide | benzamides | ||
| N-(2-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide | ||
| 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide | benzoxazole | ||
| uccf-029 | organic heterotricyclic compound; organooxygen compound | ||
| [4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanone | N-arylpiperazine | ||
| 2-[4-[4-(4-fluorophenyl)-2-thiazolyl]-1-piperazinyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone | piperazines | ||
| N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide | indoles | ||
| 1-(1-tert-butyl-5-tetrazolyl)-N-(phenylmethyl)-1-(3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine | aromatic amine | ||
| 7-(2-ethyl-1-piperidinyl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine | pyrazoles; ring assembly | ||
| 4-[butan-2-yl-[(3,4-dichloroanilino)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester | ureas | ||
| 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one | quinazolines | ||
| 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester | quinolines | ||
| 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester | benzothiazoles | ||
| 5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide | indoles | ||
| 2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-(2-furanylmethyl)acetamide | 1,3-oxazoles | ||
| N-cyclohexyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide | methoxybenzenes | ||
| 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile | quinolines | ||
| 4-[(1-methyl-2-oxo-4-quinolinyl)oxy]-N-(4-methyl-2-pyridinyl)butanamide | quinolines | ||
| 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
| 2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone | aromatic amine; tertiary amino compound | ||
| 3-[[oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl ester | aromatic amide | ||
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide | oxadiazole; ring assembly | ||
| 5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamide | thiazoles | ||
| [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone | benzothiadiazole | ||
| 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid | pyrazoles | ||
| 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide | benzothiadiazole | ||
| 2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one | quinazolines | ||
| N-[3-(cyclohexylthio)propyl]-2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylsulfinyl]acetamide | 1,3-oxazoles | ||
| 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)-4-triazolecarboxamide | triazoles | ||
| N-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide | dimethoxybenzene | ||
| 5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamide | quinolines | ||
| 3-[(4-methoxyphenyl)sulfonylamino]-N-(phenylmethyl)propanamide | organonitrogen compound; organooxygen compound | ||
| 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid | organonitrogen compound; organooxygen compound | ||
| 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methoxyphenyl)-3-isoxazolyl]methanone | quinolines | ||
| 1-[(5-bromo-2-thiophenyl)sulfonyl]-3-methylpiperidine | thiophenes | ||
| acetic acid [3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester | benzoxazine | ||
| 3-(2,5-dioxo-1-pyrrolidinyl)-N-(5-methyl-3-isoxazolyl)benzamide | amidobenzoic acid | ||
| N-(5-methyl-1H-pyrazol-3-yl)-2-[[3-oxo-2-(phenylmethyl)-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetamide | quinazolines | ||
| 2-furancarboxylic acid [4-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester | 2-furoate ester; pyranopyrazole | ||
| 2-(3-phenyl-1-indazolyl)acetic acid methyl ester | alpha-amino acid ester | ||
| 2,5-dimethyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
| N4,N5-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide | aromatic amide | ||
| N-[2-(1-cyclohexenyl)ethyl]-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindole-5-sulfonamide | indoles | ||
| 3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide | pyrrolidines | ||
| 5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one | imidazoles | ||
| 1-methyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-3-[oxo(1-piperidinyl)methyl]-4-quinolinone | aromatic amide; quinolines | ||
| N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinamine | pyrimidines | ||
| 3-(3-methoxyphenyl)-N-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide | methoxybenzenes | ||
| 2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | quinazolines | ||
| N-(3-methoxyphenyl)-2-(1-methyl-3-indolyl)acetamide | indoles | ||
| N-[3-(cyclohexylthio)propyl]-1-[(4-methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]-3-piperidinecarboxamide | N-acylpiperidine | ||
| cyclobutyl-[5-[(2-ethyl-1-piperidinyl)sulfonyl]-2,3-dihydroindol-1-yl]methanone | indoles | ||
| 8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one | quinolines | ||
| 2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamide | naphthalenes | ||
| N-[(4-chlorophenyl)methyl]-4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinamine | aralkylamine | ||
| 1-pyrenebutylamine | 1-pyrenebutylamine: structure in first source | ||
| 5-hydroxy-2-methyl-4-[1-piperidinyl(3-pyridinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester | naphthofuran | ||
| 3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone | aryl sulfide | ||
| 4-(1-azepanyl)-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine | C-nitro compound | ||
| 5-tert-butyl-3-(phenylmethyl)-1,3,5-thiadiazinane-2-thione | thiadiazinane | ||
| 2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester | thiophenecarboxylic acid | ||
| 2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide | tetralins | ||
| sb 218078 | indolocarbazole | ||
| N4-(3-chlorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine | C-nitro compound | ||
| gw 7647 | GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group. GW 7647: a PPAR-alpha agonist; structure in first source | aryl sulfide; monocarboxylic acid; ureas | PPARalpha agonist |
| N-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)-4-thiazolecarboxamide | aromatic amide; thiazoles | ||
| N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester | organonitrogen compound; organosulfur compound | ||
| 4-[[7-methyl-4-(phenylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine | aryl sulfide | ||
| 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide | quinolines | ||
| 3-(3-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]-1-(3-pyridinylmethyl)thiourea | thioureas | ||
| 5-chloro-7-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinol | organochlorine compound; quinolines | ||
| 3-hydroxyflavanone | 3-hydroxyflavanone: structure in first source 3'-hydroxyflavanone : A monohydroxyflavanone in which the hydroxy group is located at position 3'. | 3'-hydroxyflavanones; monohydroxyflavanone | metabolite |
| 3-(4-benzoyl-1-piperazinyl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile | piperazines; pyridines | ||
| 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione | pyrrolidines | ||
| 1-(4-butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thiourea | sulfonamide | ||
| N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine | methoxybenzenes; substituted aniline | ||
| 8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione | quinazolines | ||
| Angolensin | ketone | ||
| 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile | diazepine | ||
| 4-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide | carbonyl compound; organohalogen compound | ||
| 2-phenylbutanoic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester | anilide | ||
| N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamide | C-nitro compound; thiophenes | ||
| n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide | N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide: dopamine D4 ligand; structure in first source | ||
| 2-thiophen-2-yl-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester | quinolines | ||
| 7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine | pyrroles | ||
| N-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1'-cyclohexane]imine | imidazolines | ||
| 2-[4-[(4-chlorophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid methyl ester | benzoxazine | ||
| pd 168,077 | N-((4-(2-cyanophenyl)-1-piperazinyl)methyl)-3-methylbenzamide: a D4 dopamine receptor agonist | piperazines | |
| 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester | benzimidazoles | ||
| 5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one | isoquinolines | ||
| 2-(1,3-benzothiazol-2-ylthio)-N-[2-hydroxy-5-(4-morpholinylsulfonyl)phenyl]acetamide | sulfonamide | ||
| 6-bromo-1-(dibromomethyl)-5,5-dimethyl-N-(6-methyl-2-pyridinyl)-4-bicyclo[2.1.1]hexanecarboxamide | aromatic amide | ||
| 2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide | benzothiazoles | ||
| 1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(2,4,6-trimethylphenyl)thiourea | pyrrolidines | ||
| 1-(phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea | tetralins | ||
| 2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester | alpha-amino acid ester | ||
| 3-methyl-2-methylene-1,5-diphenylpentane-1,5-dione | aromatic ketone | ||
| 3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one | ring assembly; thiophenes | ||
| 2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile | aromatic ketone | ||
| 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea | ureas | ||
| ungeremine | organic molecular entity | metabolite | |
| 2-(4-nitrophenyl)-4-thiazolecarboxylic acid ethyl ester | C-nitro compound | ||
| 5-methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine | pyrazoles; ring assembly | ||
| 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine | pyrazoles; ring assembly | ||
| N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine | C-nitro compound | ||
| 1-[(2-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxamide | pyridinecarboxamide | ||
| 4-acetyloxy-3-methoxybenzoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester | methoxybenzoic acid | ||
| 3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide | C-nitro compound | ||
| N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)acetamide | piperazines | ||
| 7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone | quinazolines | ||
| N-[(5-quinolinylamino)-sulfanylidenemethyl]benzamide | quinolines | ||
| 2-(4-phenyl-1-piperazinyl)quinoxaline | piperazines | ||
| 5-methyl-2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-4-thiazolecarboxylic acid ethyl ester | C-nitro compound | ||
| 2-amino-4-(2-fluorophenyl)-6-(3-pyridinyl)-3-pyridinecarbonitrile | bipyridines | ||
| 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3h)-quinazolinone | 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone: a mitochondrial division inhibitor | ||
| N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)-1-naphthalenecarboxamide | naphthalenecarboxamide | ||
| N-[[[(4-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | carbonyl compound; organohalogen compound | ||
| 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide | benzenes; sulfonamide | ||
| 6-nitro-3-phenyl-1H-benzimidazole-2-thione | benzimidazoles | ||
| 5-nitro-2-thiophenecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester | C-nitro compound; thiophenes | ||
| 4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine | benzodioxine; thienopyrimidine | ||
| 2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-one | benzimidazoles | ||
| 1-(2-fluorophenyl)-3-(N-(phenylmethyl)anilino)thiourea | phenylhydrazines | ||
| N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide | indoles | ||
| N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide | anthraquinone | ||
| N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyrazinecarboxamide | organonitrogen compound; organooxygen compound | ||
| butanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester | azobenzenes | ||
| 2-(1H-indol-3-yl)-8-methylimidazo[1,2-a]pyridine | imidazopyridine | ||
| N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide | tetralins | ||
| 3-[[(3-methoxyphenyl)-oxomethyl]amino]-2-benzofurancarboxamide | benzofurans | ||
| 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thiourea | indoles | ||
| (5,7-dibromo-2-benzofuranyl)-(3,5-dimethyl-1-piperidinyl)methanone | benzofurans | ||
| [4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone | piperazines | ||
| (6-bromo-5-methoxy-2-methyl-3-benzofuranyl)-[4-(2-methylphenyl)-1-piperazinyl]methanone | piperazines | ||
| 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazole | imidazoles | ||
| N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide | benzothiazoles | ||
| 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione: a GSK3beta inhibitor TDZD-8 : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl 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). An experimental compound which was being developed for the potential treatment of Alzheimer's disease. | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| 3-methoxy-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide | benzothiazoles | ||
| 1,8-dimethoxyphenazine | phenazines | ||
| hydroxypioglitazone | hydroxypioglitazone : A member of the class of thiazolidenediones that is the hydroxy derivative of pioglitazone. leriglitazone: PPAR gamma agonist | aromatic ether; pyridines; thiazolidinediones | human xenobiotic metabolite |
| N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-quinazolinylthio)acetamide | quinazolines | ||
| 1-(1-adamantyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone | aryl sulfide | ||
| 1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea | carbazoles | ||
| [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone | quinolines | ||
| 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide | benzamides | ||
| sb 415286 | 3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione: a glycogen synthase kinase-3 inhibitor; structure in first source | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| 5,5,7,7-tetramethyl-2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid methyl ester | thienopyridine | ||
| N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide | benzamides | ||
| 3-acetamido-N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[(4-methylphenyl)thio]benzamide | benzamides | ||
| 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4-thiazolidinone | dimethoxybenzene | ||
| LSM-26445 | organic heterotricyclic compound; organooxygen compound | ||
| 2-[[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole | triazoles | ||
| 6-benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone | aromatic ketone | ||
| N-(3,5-dichloro-2-pyridinyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide | benzimidazoles | ||
| jhw 015 | indolecarboxamide | ||
| N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide | sulfonamide | ||
| 1-(4-methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanone | aromatic ketone | ||
| N-(1,3-benzodioxol-5-yl)-6-chloro-2-(2-pyridinyl)-3-imidazo[1,2-a]pyridinamine | imidazopyridine | ||
| 3-[(4-bromophenoxy)methyl]benzohydrazide | benzoic acids | ||
| 5H-phenanthridine-6-thione | phenanthridines | ||
| 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester | quinolines | ||
| 2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester | thiophenecarboxylic acid | ||
| le 300 | indoles | ||
| 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone | C-nitro compound | ||
| pd 407824 | |||
| 2-[(2-nitro-3-pyridinyl)oxy]-N-[2-(phenylthio)phenyl]acetamide | aryl sulfide | ||
| 2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide | tetralins | ||
| 2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone | toluenes | anticoronaviral agent | |
| 2-(4-chlorophenoxy)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide | tetralins | ||
| 4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine | organochlorine compound | ||
| 2,5-dichloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophenecarboxamide | aromatic amide; thiophenes | ||
| N-(3-isoxazolyl)-3-nitro-4-(1-piperidinyl)benzamide | piperidines | ||
| 2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamide | aromatic ketone | ||
| 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide | 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitor | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| 1-(4-methoxyphenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea | thioureas | ||
| 2,4-dichloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide | tetralins | ||
| 2-(3-methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| N-(3-acetylphenyl)-2-[[6-chloro-3-(2-hydroxypropyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]acetamide | aromatic ketone | ||
| 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone | pyrroles | ||
| 4-chloro-N-[3-(N-methylanilino)-1,4-dioxo-2-naphthalenyl]benzamide | 1,4-naphthoquinones | ||
| 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 8-quinolinyl ester | amidobenzoic acid | ||
| 2-[4-(difluoromethylthio)anilino]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester | benzoate ester | ||
| 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide | isoquinolines | ||
| 8-nitro-5-[3-(trifluoromethyl)-1-piperidinyl]isoquinoline | isoquinolines | ||
| N-Cyclopentyl-2-(N-methyl3-chlorobenzenesulfonamido)acetamide | sulfonamide | anticoronaviral agent | |
| 1-(2,4-difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]urea | ureas | ||
| [[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester | thiazoles | ||
| 4-[[[1-oxo-2-[(2-oxo-3-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-1-cyclohexanecarboxylic acid | isoflavonoid | ||
| 1-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[3-(dimethylamino)propyl]thiourea | indoles | ||
| 6-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester | pyrazoles; ring assembly | ||
| 5'-bromo-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]one | organonitrogen compound; organooxygen compound | ||
| 5-[(3-nitro-2-pyridinyl)thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine | aryl sulfide | ||
| LSM-4833 | quinolines | ||
| N-(4-Nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide | aromatic amide | anticoronaviral agent | |
| 6-(4-methoxyphenyl)-8-methyl-4-oxo-6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylic acid O7-ethyl ester O2-methyl ester | methoxybenzenes | ||
| 5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamine | aminopyridine | ||
| 2-Chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | pyrazolidines | anticoronaviral agent | |
| 1-[[3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-methyl-2-quinolinone | quinolines | ||
| merbarone | merbarone: structure given in first source | ||
| alsterpaullone | alsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole. alsterpaullone: structure in first source | C-nitro compound; caprolactams; organic heterotetracyclic compound | anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
| 4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide | thioureas | ||
| diclofenac sodium | diclofenac sodium : The sodium salt of diclofenac. Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties. | organic sodium salt | |
| cgp 7930 | 2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol: structure in first source | alkylbenzene | |
| abt724 | ABT724: dopamine D4 receptors agonist; structure in first source | piperazines; pyridines | |
| 1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole | 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol : A pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo. | phenols; pyrazoles | estrogen receptor agonist |
| N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide | sulfonamide | ||
| (4-chloro-1-ethyl-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanone | naphthalenes | ||
| 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 | |
| 2-amino-4-(4-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl ester | pyranopyranone | ||
| 6-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-cyclohexyl-1,2,4,5-tetrazin-3-amine | tetrazine | ||
| 2-[(1-methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone | piperazines | ||
| 2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]phenol | piperazines | ||
| N-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
| 4,5,6,7-tetrabromobenzimidazole | 4,5,6,7-tetrabromobenzimidazole: structure in first source | ||
| (3,5-dichloroanilino)thiourea | dichlorobenzene | ||
| 1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-ylemine | pyrazolopyrimidine | tyrosine kinase inhibitor | |
| 4-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione | quinazolines | ||
| sib 1757 | SIB 1757: a selective mGluR5 antagonist; structure in first source | ||
| N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]-2-oxo-1-benzopyran-3-carboxamide | aromatic amide | ||
| N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide | benzothiazoles | ||
| ku 55933 | 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one: specific inhibitor of the ataxia-telangiectasia mutated kinase ATM; structure in first source | ||
| 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 | |
| biochanin a | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor | |
| prostaglandin b1 | prostaglandin B1 : A member of the class of prostaglandins B that is prosta-8(12),13-dien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 13E,15S-stereoisomer). prostaglandin Bx: phospholipase A2 inhibitor; polymeric derivative of diketo-PGB1; mean MW 2,200 | prostaglandins B | human metabolite |
| 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 |
| acacetin | 5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. | dihydroxyflavone; monomethoxyflavone | anticonvulsant; plant 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 | |
| quercitrin | alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite | |
| luteolin-7-glucoside | luteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
| chrysoeriol | 4',5,7-trihydroxy-3'-methoxyflavone : The 3'-O-methyl derivative of luteolin. chrysoeriol: isolated from leaves of Eurya japonica & E. emarginata | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; antioxidant; metabolite |
| quercetin 3-o-glucopyranoside | quercetin 3-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells quercetin 3-O-glucopyranoside: structure in first source | beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis 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 | |
| lipoxin a4 | lipoxin A4 : A C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. lipoxin A4: an antifibrolytic agent; structure given in first source; a role in ASPIRIN antiinflammatory activity | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; 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 |
| 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 |
| rescinnamine | rescinnamine: was heading 1966-94 (see under RESERPINE 1966-90); use RESERPINE to search RESCINNAMINE 1966-94 | indole alkaloid; methyl ester; organic heteropentacyclic compound | antihypertensive agent |
| 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 | |
| clothiapine | maleate salt | ||
| timolol maleate | (S)-timolol maleate : The maleic acid salt of the active (S)-enantiomer of timolol, comprising equimolar amounts of (S)-timolol and maleic acid. | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
| aureusidin | aureusidin : A hydroxyaurone that is aurone substituted by hydroxy groups at positions 4, 6, 3' and 4' respectively. aureusidin: structure in first source | hydroxyaurone | plant metabolite |
| butein | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor | |
| sulfuretin | sulfuretin: the chalcone C ring closes into a 5 instead of the more typical 6 membered ring leaving a phenyl methane at the 2 position instead of the typical phenyl | 1-benzofurans | |
| molephantinin | molephantinin: germacranolide from Elephantopus mollis; RN given refers to (3aR-(3aR*,4S*(E),6E,9Z,11S*,11aS*))-isomer; structure in first source | germacranolide | |
| kavain | 2-pyranones; aromatic ether | ||
| zearalenone | zearalenone : A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species. Zearalenone: (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes. | macrolide; resorcinols | fungal metabolite; mycoestrogen |
| apigenin dimethylether | apigenin 7,4'-dimethyl ether : A dimethoxyflavone that is the 7,4'-dimethyl ether derivative of apigenin. apigenin dimethylether: a dimethoxy analog of apigenin from roots of Rhus undulata and possibly other plants | dimethoxyflavone; monohydroxyflavone | 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 | |
| chrysin | chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
| cupressuflavone | cupressuflavone : A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-8 of the two chromene rings respectively. Isolated from Cupressus sempervirens and Juniperus occidentalis, it exhibits free radical scavenging and antielastase activities. cupressuflavone: from Cupressus macrocarpa; structure in first source | biflavonoid; hydroxyflavone; ring assembly | EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger |
| diosmetin | 3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent | |
| 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 |
| bellidifolin | bellidifolin : A member of the xanthone family that is bellidin substituted with a methyl group at O-3. A natural product found particularly in Swertia chirata and Gentianella campestris. bellidifolin: isolated from Swertia japonica; structure given in first source | polyphenol; xanthones | EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; metabolite |
| demethylbellidifolin | bellidin : A member of the class of xanthones that is xanthone which is substituted by hydroxy groups at positions 1, 3, 5, and 8. A natural product found particularly in Iris nigricans and Gentiana campestris. demethylbellidifolin: protects the myocardium against damage due to ischemia-reperfusion in rats | tetrol; xanthones | antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger |
| hispidulin | hispidulin : A monomethoxyflavone that is scutellarein methylated at position 6. | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
| gentiacaulein | gentiacaulein : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2 and 8 and methoxy groups at positions 1 and 6. gentiacaulein: structure in first source | aromatic ether; polyphenol; xanthones | plant metabolite |
| hyperoside | quercetin 3-O-beta-D-galactopyranoside : A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity. | beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
| 3-methylquercetin | isorhamnetin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group. | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
| kaempferide | kaempferide : A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol. kaempferide: structure in first source | 7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone | antihypertensive agent; metabolite |
| morin | morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5. morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria) | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
| morusin | morusin : An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8. morusin: from Morus root bark; structure given in first source | extended flavonoid; trihydroxyflavone | antineoplastic agent; plant metabolite |
| myricetin | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite | |
| orientin | orientin : A C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8. orientin: structure given in first source; RN given refers to the (D-glucopyranosyl)-isomer | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
| patuletin | patuletin : A trimethoxyflavone that is quercetagetin methylated at position 6. patuletin: structure given in first source; inhibits aldose reductase in rat lens | flavonols; monomethoxyflavone; pentahydroxyflavone | analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite |
| coumestrol | coumestrol : A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. Coumestrol: A daidzein derivative occurring naturally in forage crops which has some estrogenic activity. | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
| trans-2,3',4,5'-tetrahydroxystilbene | trans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrol | stilbenoid | |
| pterostilbene | diether; methoxybenzenes; stilbenol | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger | |
| caffeic acid phenethyl ester | phenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
| psi-baptigenin | pseudobaptigenin : A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. | 7-hydroxyisoflavones; benzodioxoles | antiprotozoal drug; plant metabolite |
| ellagic acid | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent | |
| 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 |
| n-oleoyldopamine | N-oleoyldopamine : A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist. N-oleoyldopamine: putative capsaicin receptor ligand; produces hyperalgesia; isolated from the brain | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | TRPV1 agonist |
| trimipramine maleate | maleate salt | antidepressant | |
| 4-hydroxyestradiol | 4-hydroxy-17beta-estradiol : A 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4. 4-hydroxyestradiol: catechol estrogen | 4-hydroxy steroid | 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: structure in first source | chalcones; phenols | antihypertensive agent; plant metabolite |
| 9-hydroxy-10,12-octadecadienoic acid | 9-HODE : A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9. 9-hydroxy-10,12-octadecadienoic acid: RN given refers to unspecified stereoisomer | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
| ethisterone | ethisterone : A 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol. Ethisterone: 17 alpha-Hydroxypregn-4-en-20-yn-3-one. A synthetic steroid hormone with progestational effects. | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | drug metabolite; progestin |
| nalmefene | nalmefene: RN given refers to 5-alpha isomer | morphinane alkaloid | |
| sirolimus | sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent. Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties. | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
| genistin | acrovestone; isoflavonoid | ||
| ophiocordin | azepinostatin: isolated from Fusarium merismoides; structure in first source; RN assigned by CAS - 63590-19-2 (ophiocordin; azepinostatin is not the same as ophiocordin) | ||
| alvocidib | alvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. alvocidib: structure given in first source | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| as 605240 | (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione : A quinoxaline derivative that is quinoxaline in which the hydrogen at position 6 is replaced by a (2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl group. It is a potent inhibitor of the PI3Kgamma, with an IC50 of 8 nM and inhibits the progression of joint inflammation and damage in both lymphocyte-independent and dependent mouse models of rheumatoid arthritis. 5-quinoxalin-6-ylmethylenethiazolidine-2,4-dione: a PI3Kgamma inhibitor; structure in first source | quinoxaline derivative; thiazolidinediones | anti-inflammatory agent; antirheumatic drug; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| aftin-4 | aftin-4: increases production of amyloid-beta protein (1-42) | ||
| su 9516 | |||
| 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-1-(4-ethyl-1-piperazinyl)ethanone | 1,3-oxazoles | ||
| 1,5-dimethyl-4-oxo-N-[2-(3-thiophenyl)ethyl]-2-pyrrolo[3,2-c]quinolinecarboxamide | pyrroloquinoline | ||
| 3-(4-chlorophenyl)-1-methyl-N-[(5-methyl-2-furanyl)methyl]-5-thieno[2,3-c]pyrazolecarboxamide | pyrazoles; ring assembly | ||
| 2-[[oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl ester | aromatic amide | ||
| [4-(3-methoxyphenyl)-1-piperazinyl]-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]methanone | piperazines | ||
| 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide | oxadiazole; ring assembly | ||
| 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3H-isoindol-1-one | isoindoles | ||
| N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide | aromatic amide | ||
| 4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
| N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide | piperidines | ||
| N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrazinamine | benzodioxoles | ||
| N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamide | pyrimidone; sulfonamide | ||
| 2-[[cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamide | aromatic amide; thiophenes | ||
| 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamide | sulfonamide | ||
| 6-methyl-3-(prop-2-enylthio)-5H-[1,2,4]triazino[5,6-b]indole | triazinoindole | ||
| 3-(3,5-dimethyl-1-pyrazolyl)-5-phenyl-1,2,4-triazine | 1,2,4-triazines | ||
| esomeprazole magnesium | benzimidazoles; sulfoxide | ||
| preclamol | preclamol: centrally acting dopamine receptor agonist with selectivity for autoreceptors | ||
| 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 | |
| 15-deoxy-delta(12,14)-prostaglandin j2 | 15-deoxy-Delta(12,14)-prostaglandin J2 : A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. 15-deoxy-delta(12,14)-prostaglandin J2: 15-deoxy-PGJ2 is also available; check for double bonds (indicated by delta) at 12 and 14 positions | prostaglandins J | electrophilic reagent; insulin-sensitizing drug; metabolite |
| pd 128907 | 1-benzopyran | ||
| obelin | obelin: calcium-sensitive photoprotein obtained from the hydroid Obelia geniculata | ||
| pd 166285 | |||
| sb 271046 | SB 271046: 5-HT(6) receptor antagonist; structure in first source | ||
| cannabigerol | cannabigerol : A member of the class of resorcinols that is resorcinol which is substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2 and by a pentyl group at position 5. It is a natural product found in Cannabis sativa and Helichrysum species. cannabigerol: RN given refers to (E)-isomer; structure given in first source | phytocannabinoid; resorcinols | anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite |
| (E)-3-(2-Hydroxyphenyl)-2-propenal | cinnamaldehydes | ||
| 4-methylesculetin | 4-methylesculetin: has antiinflammatory activity 6,7-dihydroxy-4-methylcoumarin : A hydroxycoumarin that is 4-methylcuomarin which is substituted by hydroxy groups at positions 3 and 4. A hyaluronan synthesis inhibitor. It has also been used as a fluorescent sensor to monitor the consumption of a boronic acid in Suzuki coupling reactions; fluorescence is readily detectable by the naked eye using a standard 365 nm UV lamp. | hydroxycoumarin | anti-inflammatory agent; antioxidant; hyaluronan synthesis inhibitor |
| muromonab-cd3 | cudraflavone B : An extended flavonoid that consists of a pyranochromane skeleton that is 2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups at position 2, a 2,4-dihydroxyphenyl group at position 8, a hydroxy group at position 5 and a prenyl group at position 7. Isolated from Morus alba and Morus species it exhibits anti-inflammatory activity. cudraflavone B: antiproliferative from Cudrania tricuspidata | extended flavonoid; pyranochromane; trihydroxyflavone | anti-inflammatory agent; plant metabolite |
| nigakinone | nigakinone: an NSAID that may be useful in treating ulcerative colitis; structure in first source | beta-carbolines | |
| ombuine | ombuin : A dimethoxyflavone that is quercetin in which the hydroxy groups at positions 7 and 4' are replaced by methoxy groups. Isolated from Cyperus teneriffae, it exhibits anti-inflammatory activity. ombuine: from rhizome of Alpinia tonkinensis | dimethoxyflavone; flavonols; trihydroxyflavone | anti-inflammatory agent; 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 |
| Piperanine | benzodioxoles | ||
| piperlonguminine | piperlonguminine: from Piper longum; structure in first source | benzodioxoles | |
| furazolidone | |||
| 3,5-dimethoxycinnamic acid | 3,5-dimethoxycinnamic acid: RN given refers to cpd without isomeric designation | ||
| casein kinase ii | Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression. | ||
| arcyriaflavin a | arcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first source | indolocarbazole | |
| pd 161570 | PD 161570: structure in first source | ||
| tyrphostin ag-494 | AG 494: tyrphostin that blocks Cdk2 activation; structure in first source | ||
| bosutinib | 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first source | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
| semaxinib | semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group. | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
| orantinib | orantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. orantinib: an antiangiogenic agent | ||
| 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 | |
| n,n'-dimethyl-n,n'-bis(mercaptoacetyl)hydrazine | N,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine: used to reduce disulfide bonds; structure in first source | ||
| pd 0183812 | PD 0183812: inhibits CDK4 and CDK6; structure in first source | ||
| palbociclib | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | |
| jnj-7706621 | sulfonamide | ||
| 2'-hydroxy-4-methoxychalcone | |||
| guttiferone e | guttiferone E: isolated from the fruits of Garcinia pyrifera collected in Malaysia; structure in first source | ||
| sulindac sulfide | sulindac sulfide : An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. sulindac sulfide: sulfated analog of indomethacin & inhibitor of prostaglandin synthesis in vitro; RN given refers to cpd without isomeric designation; structure given in first source | aryl sulfide; monocarboxylic acid; organofluorine compound | antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug |
| bay 11-7082 | (E)-3-tosylacrylonitrile : A nitrile that is acrylonitrile in which the hydrogen located beta,trans to the cyano group is replaced by a tosyl group. It is an inhibitor of cytokine-induced IkappaB-alpha phosphorylation in cells. | nitrile; sulfone | apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor |
| rg 13022 | RG 13022: structure given in first source | ||
| Isoliquiritigenin 4,4'-dimethyl ether | chalcones | ||
| 4-amino-6,7-diphenyl-3H-pteridine-2-thione | pteridines | ||
| furanoheliangolide | furanoheliangolide: structure in first source | ||
| nomifensine maleate | |||
| levorphanol | Levorphanol: A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection. | morphinane alkaloid | |
| dextromethorphan | dextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough. Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity. | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
| dextrorphan | Dextrorphan: Dextro form of levorphanol. It acts as a noncompetitive NMDA receptor antagonist, among other effects, and has been proposed as a neuroprotective agent. It is also a metabolite of DEXTROMETHORPHAN. | morphinane alkaloid | |
| kavain | racemate | glycine receptor antagonist | |
| jaceosidin | jaceosidin : A trihydroxyflavone that is flavone with hydroxy groups at positions 5, 7 and 4' and methoxy groups at positions 3' and 6. Isolated from Salvia tomentosa and Artemisia asiatica, it exhibits anti-allergic, anti-inflammatory and apoptosis inducing activties. | dimethoxyflavone; trihydroxyflavone | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite |
| urolithin b | urolithin B: has antiproliferative activity; structure in first source | coumarins | |
| 2-formylpyridine thiosemicarbazone | 2-formylpyridine thiosemicarbazone: structure; RN given refers to parent cpd without isomeric designation | ||
| 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one | isoflavones | ||
| 3-(dimethylamino)-1-phenylprop-2-en-1-one | carbonyl compound | ||
| (2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid | peptide | ||
| 5,4'-dihydroxy-7,3'-dimethoxyflavone | 5,4'-dihydroxy-7,3'-dimethoxyflavone: has anti-inflammatory activity; isolated from acai, Euterpe oleracea; structure in first source velutin : A dimethoxyflavone that is luteolin in which the hydroxy groups at positions 7 and 3' are replaced by methoxy groups. | dihydroxyflavone; dimethoxyflavone | anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite |
| pepstatin | pepstatin: inhibits the aspartic protease endothiapepsin | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
| norbinaltorphimine | norbinaltorphimine: kappa opiate receptor antagonist; structure given in first source | isoquinolines | |
| morusinol | morusinol: extracted from Morus alba inhibits arterial thrombosis and modulates platelet activation for the treatment of cardiovascular disease; structure in first source | flavones | |
| licostinel | licostinel: a glycine site NMDA receptor antagonist; structure given in first source | ||
| 1,3-dihydroxy-xanthone | |||
| olomoucine ii | olomoucine II: structure in first source | ||
| vx680 | N-arylpiperazine | ||
| mephentermine sulfate | |||
| methylbenzethonium chloride | alkylbenzene | ||
| quinaldine red | quinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure | ||
| 2',3,4-trihydroxychalcone | 2',3,4-trihydroxychalcone: structure given in first source | catechols; chalcones | |
| Crotaoprostrin | chalcones | ||
| 3,3'-diethylthiacarbocyanine iodide | benzothiazoles; cyanine dye | fluorochrome | |
| chloride of pseudoisocyanine | 1,1'-diethyl-2,2'-cyanine halide; organic chloride salt | ||
| 5233705 compound | |||
| 3,8-dibromo-7-hydroxy-4-methylchromen-2-one | 3,8-dibromo-7-hydroxy-4-methylchromen-2-one: structure in first source | hydroxycoumarin | |
| nifuratrone | nifuratrone: structure | ||
| gw-5074 | |||
| 2-acetylpyridine-4-methyl-3-thiosemicarbazone | |||
| piriqualone | piriqualone: structure | ||
| metochalcone | metochalcone: structure | ||
| 5-(2-methylphenyl)-N-(phenylmethyl)-2-furancarboxamide | aromatic amide; heteroarene | ||
| alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile | nitrile | ||
| flavokawain C | flavokawain C: antineoplastic from roots of Kava (Piper methysticum Forst); structure in first source | chalcones | |
| 2-((4-pyridyl)methyl)amino-n-(3-(trifluoromethyl)phenyl)benzamide | 2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide: an antiangiogenic VEGF receptor kinase inhibitor with antineoplastic activity; structure in first source | ||
| psammaplin a | psammaplin A: isolated from marine sponges Poecillastra and Jaspis; structure in second source | ||
| 1-(3,4-dimethylphenyl)-4-(4-methyl-1-piperidinyl)phthalazine | pyridazines; ring assembly | ||
| 2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone | aromatic ketone | ||
| 5-methoxy-3,6-diphenyl-1,2,4-triazine | aromatic ether | ||
| Adenosine 5'-monophosphate monohydrate | purine ribonucleoside monophosphate | ||
| cyc 116 | 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source | ||
| mg 624 | triethyl-(beta-4-stilbenoxyethyl)ammonium: inhibits alpha7 nicotinic receptors; structure in first source | ||
| columbianadin | columbianadin : An alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. columbianadin: furanocoumarin isolated from Peucedanum palustre; RN given refers to columbianadin, (S-(Z))-isomer | alpha,beta-unsaturated carboxylic ester; furanocoumarin | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite |
| rehmannic acid | rehmannic acid: toxic principle, triterpene acid from Lantana camara; RN given refers to (22beta-(Z))-isomer; structure | ||
| 3-o-methylbutein | 3-O-methylbutein: RN given refers to (E)-isomer; structure given in first source | chalcones | |
| chaetoglobosin A | cytochalasan alkaloid; epoxide; indoles; macrocycle; secondary alpha-hydroxy ketone | Chaetomium metabolite | |
| 4-hydroxyderricin | 4-hydroxyderricin: from Angelica keiskei; RN given refers to (E)-isomer; structure in first source | chalcones | |
| 4-o-carboxymethylascochlorin | 4-O-carboxymethylascochlorin: RN given refers to (1R-(1alpha(2E,4E),2beta,6beta))-isomer | ||
| o-geranylsinapyl alcohol | O-geranylsinapyl alcohol: structure given in first source; isolated from the bark of Fagara rhetza, an Indonesian medicinal plant | ||
| pregna-4,17-diene-3,16-dione | pregna-4,17-diene-3,16-dione: steroid from guggulu extract; RN & N1 from C1 Form index; RN given refers to cpd without isomeric designation; structure in first source; antagonist of farnesoid X receptor | 3-hydroxy steroid | androgen |
| amorphastilbol | amorphastilbol: dual PPARalpha/gamma agonist from Amorpha species | ||
| goniothalamin | goniothalamin: has antineoplastic activity; structure given in first source | ||
| everolimus | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor | |
| jl 13 compound | JL 13 compound: structure given in first source | ||
| ekb 569 | EKB 569: an EGF receptor kinase inhibitor | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
| axitinib | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist | |
| 1-(3-methoxyphenyl)-3-[2-(methylthio)phenyl]urea | ureas | ||
| hylin | |||
| desmosdumotin c | desmosdumotin C: an antitumor agent; structure in first source | olefinic compound | |
| 2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxylic acid | quinolines | ||
| tanespimycin | CP 127374: analog of herbimycin A | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound | antineoplastic agent; apoptosis inducer; Hsp90 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 |
| gw 1929 | GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first source | benzophenones | |
| 1-azakenpaullone | 1-azakenpaullone : An organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively. | lactam; organic heterotetracyclic compound; organobromine compound; organonitrogen heterocyclic compound | EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
| 2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole | aryl sulfide | ||
| a 419259 | |||
| b 43 | RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively). | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
| dihydrexidine | phenanthridines | ||
| gw2974 | GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2 | pyridopyrimidine | |
| 7-hydroxy-2-n,n-dipropylaminotetralin, (r)-isomer | |||
| l 750667 | L 750667: structure given in first source | piperazines | |
| l-165041 | 4-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function. | aromatic ketone | |
| cycloheximide | piperidones | ||
| uh 232 | tetralins | ||
| ro 25-6981 | Ro 25-6981 : A member of the class of piperidines that is 4-benzylpiperidine substituted by a 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropyl group at position 1 (the 1R,2S-stereoisomer). It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor. Ro 25-6981: blocks NMDA receptors containg NR2B subunit; structure in first source | benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound | anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist |
| aminopurvalanol a | aminopurvalanol A: casein kinase I alpha inhibitor; structure in first source | monochlorobenzenes; purvalanol | protein kinase inhibitor |
| 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]ethanol | thiopurine | ||
| N-(5-carbamoyl-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide | aromatic amide | ||
| 8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide | dibenzothiazepine | ||
| 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester | benzothiazoles | ||
| 6-bromo-2-(1-pyrrolidinyl)-1,3-benzothiazole | benzothiazoles | ||
| N-(4-ethylphenyl)-3-(1-pyrrolyl)propanamide | anilide | ||
| (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-(4-oxo-1-benzopyran-3-yl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester | chromones | ||
| cgp 53353 | 4,5-bis(4-fluoroanilino)phthalimide: structure in first source | phthalimides | |
| estradiol 17-acetate | steroid ester | ||
| stepholidine | stepholidine: protoberberine alkaloid isolated from opium; dual D1 receptor agonist and D2 receptor antagonist | ||
| ginsenoside rb2 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antiviral agent; hypoglycemic agent; plant metabolite | |
| eaa-090 | EAA-090: a potent N-methyl-D-aspartate antagonist; structure in first source | dialkylarylamine; tertiary amino compound | |
| temsirolimus | macrolide lactam | ||
| cvt 313 | CVT 313: a potent inhibitor of CDK2 that prevents neointimal proliferation; structure given in first source | ||
| sarizotan | sarizotan: serotonin 5-HT1A agonist improves motor complications in rodent and primate parkinsonian models | ||
| pd 174494 | PD 174494: structure in first source | piperidines | |
| pd 184352 | 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source | aminobenzoic acid | |
| ms-245 | N,N-dimethyl-2-(1-(benzenesulfonyl)-5-methoxy-1H-indol-3-yl)ethylamine: a 5-HT(6) receptor ligand; structure in first source | ||
| pep005 | 3-ingenyl angelate: protein kinase C agonist and antineoplastic; structure in first source | ||
| on 01910 | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine : A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group. ON 01910: a Plk1 inhibitor with antineoplastic activity; structure in first source rigosertib : An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties. | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent |
| alpha-glutamyltryptophan | Trp-Glu : A dipeptide formed from L-tryptophan and L-glutamic acid residues. | dipeptide | metabolite |
| 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine | benzothiazoles | ||
| 2-chloro-N-[3-(2-thiazolo[5,4-b]pyridinyl)phenyl]-3-pyridinecarboxamide | aromatic amide | ||
| 13-epi-sclareol | 13-epi-sclareol: an unusual labdane diterpene from the roots of Coleus forskohlii with cell growth inhibitory action in breast and uterine cancers in vitro; structure in first source | ||
| 3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one | benzofurans | ||
| 6-(3-bromophenyl)-2-methyl-3-pyridinecarboxylic acid | phenylpyridine | ||
| 7-[(3-chlorophenyl)methylthio]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one | aryl sulfide | ||
| 3-[(3-fluorophenyl)methylthio]-6-(2-furanyl)pyridazine | aryl sulfide | ||
| 5-Chloro-3-pyridinyl 2-furoate | carboxylic ester | anticoronaviral agent | |
| cinnamaldehyde thiosemicarbazone | cinnamaldehyde thiosemicarbazone: has antimicrobial activity; structure in first source | ||
| 6-(4-bromophenyl)-2-methyl-3-pyridinecarboxylic acid | phenylpyridine | ||
| 5-(1-phenyl-5-tetrazolyl)-2-pyridin-4-yl-4-thiophen-2-ylpyrimidine | organonitrogen heterocyclic compound | ||
| 2-[(1R,3S)-3-(7-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]acetonitrile | indoles | ||
| (11S,14S)-Cyclo-(L-Trp-L-Phe) | indoles | Aspergillus metabolite | |
| 6-(4-ethylphenyl)-3-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine | pyridazines; ring assembly | ||
| 2-bromo-N-(phenylmethyl)benzenesulfonamide | sulfonamide | ||
| 1-(3-ethylphenyl)-3-(1-naphthalenyl)thiourea | naphthalenes | ||
| 2-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine | sulfonamide | ||
| N-[2-(4-methoxyphenyl)ethyl]-2-quinoxalinecarboxamide | quinoxaline derivative | ||
| a 770041 | aromatic amide | ||
| N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine | imidazoles | ||
| N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide; thiophenes | ||
| 1-(3,4-dimethylphenyl)-2,5-dioxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarbonitrile | pyridopyrimidine | ||
| 4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide | aromatic amide | ||
| 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-(1-methyl-3-indolyl)ethanone | piperazines | ||
| chlorhexidine | chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque. | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
| furaltadon | furaltadon: structure; RN given refers to parent cpd without isomeric designation furaltadone : An oxazolidinone that is 1,3-oxazolidin-2-one substituted at position 1 by a (5-nitro-2-furyl)methylene]amino group and at position 5 by a morpholin-4-ylmethyl group. An antibacterial formerly used oraly but withdrawn due to toxicity, it is used topically (as the hydrochloride salt) for treatment of ear disorders. | ||
| gemifloxacin | gemifloxacin : A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position. Gemifloxacin: A naphthyridine and fluoroquinolone derivative antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used for the treatment of community-acquired pneumonia and acute bacterial infections associated with chronic bronchitis. | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
| lassbio 294 | |||
| armodafinil | armodafinil : A 2-[(diphenylmethyl)sulfinyl]acetamide that has R configuration at the sulfur atom. Like its racemate, modafinil, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. Peak concentration in the blood later occurs later following administration than with modafinil, so it is thought that armodafinil may be more effective than modafinil in treating people with excessive daytime sleepiness. | 2-[(diphenylmethyl)sulfinyl]acetamide | central nervous system stimulant; eugeroic |
| fpl 15896ar | |||
| jnj 10198409 | |||
| (4-benzylpiperidin-1-yl)-(6-hydroxy-1h-indol-2-yl)methanone | (4-benzylpiperidin-1-yl)-(6-hydroxy-1H-indol-2-yl)methanone: an NR2B-subunit selective antagonist; structure in first source | ||
| (R)-fluoxetine hydrochloride | (R)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (R)-fluoxetine with one equivalent of hydrochloric acid. | hydrochloride | antidepressant; serotonin uptake inhibitor |
| gw 501516 | GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. GW 501516: a selective PPARdelta agonist; structure in first source | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist |
| n-demethylloperamide | desmethyl loperamide : A monocarboxylic acid amide that is the methylamide of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanoic acid. N-demethylloperamide: loperamide metabolite; structure in first source | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | drug metabolite |
| av 412 | |||
| telatinib | |||
| edotecarin | |||
| y-39983 | Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first source | pyrrolopyridine | |
| cp 547632 | 3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source | ||
| bms345541 | 4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first source | quinoxaline derivative | |
| cp 293019 | CP 293019: structure given in first source | ||
| spc-839 | SPC-839: an inhibitor of activator protein 1; structure in first source | ||
| lenvatinib | lenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
| 17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'-guanidinyl-3,14-dihydroxyindolo(2',3'-6,7)morphinan | |||
| pd 0325901 | mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer). | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
| tzd 18 | |||
| midostaurin | midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
| efatutazone | efatutazone: a high-affinity PPARgamma agonist with antineoplastic activity | ||
| tqx 173 | |||
| lg 1506 | |||
| fursultiamin monohydrochloride | organic molecular entity | ||
| px-866 | PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine. PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source | acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| desmethylselegiline hydrochloride | |||
| ic 86621 | 1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone: a DNA-dependent protein kinase inhibitor | aromatic ketone | |
| nu 7026 | 2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source | organic heterotricyclic compound; organooxygen compound | |
| nrx 194204 | IRX4204: retinoid X receptor (RXR) agonist; structure in first source | ||
| sb 242235 | SB 242235: p38 MAP kinase antagonist | ||
| ripasudil | isoquinolines | ||
| gft505 | |||
| f 13640 | befiradol: a selective serotonin 5-HT1A receptor agonist | ||
| 17-hydroxywortmannin | 17-hydroxywortmannin: inhibits secretion of human neutrophils | ||
| osi 930 | OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source | aromatic amide | |
| (1rs,1's)-peaqx | |||
| 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3 h-benzimidazole-5-carboxamide | 3-(2,4-dichlorobenzyl)-2-methyl-N-(pentylsulfonyl)-3 H-benzimidazole-5-carboxamide: a benzimidazole derivative | ||
| ki 20227 | |||
| gw 9578 | GW 9578: a peroxisome proliferator-activated receptor alpha agonist; structure in first source | ||
| gw 7845 | GW 7845: ligand of the peroxisome proliferator-activated receptor-gamma; structure in first source | ||
| scio-469 | SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004 talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| cp 724714 | 2-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent |
| 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid | hydroxybenzoic acid | ||
| zotarolimus | zotarolimus: synthetic analog of rapamycin; structure in first source | lactam; macrolide | |
| dimethisoquin hydrochloride | |||
| pi103 | PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| 3,5-bis(2-fluorobenzylidene)piperidin-4-one | 3,5-bis(2-fluorobenzylidene)piperidin-4-one: an antineoplastic agent; structure in first source | ||
| slv 313 | |||
| naveglitazar | naveglitazar: LY-519818 is the (alpha-S)-isomer; an antidiabetic agent; structure in first source | aromatic ether | |
| fauc 346 | FAUC 346: a D3 dopamine receptor antagonist; structure in first source | ||
| hmn-214 | (E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source | ||
| ly 465608 | LY 465608: a nonthiazolidinedione agonist of both PPAR-alpha and PPAR-gamma of Ligand Pharm. and Eli Lilly | ||
| ct52923 | CT52923: structure in first source | ||
| ngb 2904 | NGB 2904: a dopamine D3 receptor antagonist; structure in first source | fluorenes | |
| l 796449 | L 796449: a peroxisomal proliferator-activated receptor-gamma agonist; structure in first source | ||
| u 74389g | |||
| ginsenoside rb1 | ginsenoside; glycoside; tetracyclic triterpenoid | anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger | |
| PI3-Kinase alpha Inhibitor 2 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
| y 27632, dihydrochloride, (4(r)-trans)-isomer | |||
| 4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one | 4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one: structure in first source | ||
| pnu 109291 | PNU 109291: 5-HT(1D) receptor agonist; structure in first source | ||
| pnu 96415e | piperazines | ||
| sr 271425 | SR 271425: structure in first source | ||
| sp 100030 | N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide: transcription factor inhibitor specific to T-cells | ||
| tivozanib | N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source | aromatic ether | |
| zm 447439 | ZM447439 : A member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respectively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively. | aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor |
| hki 272 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor | |
| lissamine rhodamine b | lissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion. | organic sodium salt | fluorescent probe; fluorochrome; histological dye |
| ginsenoside f2 | ginsenoside F2 : A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranosides, and in which a double bond has been introduced at the 24-25 position. ginsenoside F2: isolated from the leaves of Panax ginseng | 12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
| ginsenoside rg3 | (20S)-ginsenoside Rg3 : A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranosyl-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. ginsenoside Rg3: from Red ginseng; inhibits lung metastasis of tumor cells; structure given in first source | ginsenoside; glycoside; tetracyclic triterpenoid | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite |
| tofacitinib | tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis. | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | |||
| cediranib | aromatic ether | ||
| gw0742 | GW 610742: structure in first source | monocarboxylic acid | |
| 3-chloro-4-(3-(7-propyl-3-trifluoromethyl-6-benzisoxazolyl)propylthio)phenylacetic acid | |||
| ns-220 | |||
| 4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride | |||
| ps1145 | PS1145: IkappaB kinase inhibitor; structure in first source | beta-carbolines | |
| npi 2358 | NPI 2358: antineoplastic; structure in first source plinabulin : A member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione substituted by benzylidene and (5-tert-butyl-1H-imidazol-4-yl)methylidene groups at positions 3 and 6, respectively. It is a vascular disrupting agent and a microtubule destabalising agent which was in clinical trials (now discontinued) for the treatment of non-small cell lung cancer. | 2,5-diketopiperazines; benzenes; imidazoles; olefinic compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
| tak-715 | N-(4-(2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide: anti-rheumatoid arthritis agent; structure in first source | benzamides | |
| bm 131246 | |||
| chir 99021 | CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively. Chir 99021: structure in first source | aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
| gw 590735 | 2-methyl-2-(4-(((4-methyl-2-(4-trifluoromethylphenyl)-thiazol-5-ylcarbonyl)amino)methyl)phenoxy)propionic acid: an HDLc raising agent; structure in first source | ||
| tirotundin | tirotundin: structure in first source | ||
| cumambrin b | cumambrin B: RN given for (3aR-(3aalpha,4alpha,6alpha,6aalpha,9aalpha,9bbeta))-isomer; isolated from Chrysanthemum boreale; structure in first source | ||
| n-((1-allyl-2-pyrrolidinyl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamide | N-((1-allyl-2-pyrrolidinyl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamide: structure in first source | ||
| leucettamine b | leucettamine B: a protein kinase inhibitor isolated from the marine sponge Leucetta microraphis; structure in first source | ||
| neoamphimedine | neoamphimedine: a Pyrido[4,3,2-mn]acridine from Indo-Pacific sponge genus Xestospongia; structure in first source | ||
| masitinib | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor | |
| ly-2157299 | LY-2157299 : A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. LY-2157299: an orally active transforming growth factor beta receptor (TGF-beraR) kinase inhibitor | aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines | antineoplastic agent; TGFbeta receptor antagonist |
| as 601245 | 1,3-benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile: a c-Jun NH2-terminal protein kinase inhibitor with neuroprotective activity; also an NSAID | benzothiazoles | |
| 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 |
| azd 6244 | AZD 6244: a MEK inhibitor | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| su 14813 | 5-((5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide: has both antineoplastic and antiangiogenic activities; structure in first source | ||
| bibw 2992 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor | |
| N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide : A member of the class of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxylic acid with the amino group of 3-cyanoaniline. | 1,3,4-oxadiazoles; benzamides; biphenyls; nitrile | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| nu 6140 | 4-(6-cyclohexylmethoxy-9H-purin-2-ylamino)-N,N-diethylbenzamide: a cyclin-dependent kinase inhibitor; structure in first source | ||
| int 131 | INT 131: a hypoglycemic agent; structure in first source | ||
| 77-lh-28-1 | 77-LH-28-1: a CNS penetrant, selective M1 muscarinic receptor agonist, structure in first source | ||
| aleglitazar | aleglitazar: a dual peroxisome PPAR-alpha and PPAR-gamma agonist for type 2 diabetes | ||
| fauc 365 | FAUC 365: a dopamine D3 receptor antagonist; structure in first source | ||
| binimetinib | binimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib. | benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) 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 |
| aee 788 | AEE 788: structure in first source | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug |
| 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 | |
| luotonin a | luotonin A: structure in first source | quinazolines | |
| fauc 213 | |||
| bavachinin | bavachinin: do not confuse with bavachin | flavanones | |
| way-208466 | |||
| vx 702 | VX 702: a p38 MAP kinase inhibitor | phenylpyridine | |
| aristolactam aiiia | Aristolactam AIIIa: polo-like kinase 1 (Plk1) inhibitor; structure in first source | ||
| ws-5995 c | WS-5995 C: structure in first source | benzenes; naphthalenes; ring assembly | |
| crenolanib | aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| fauc 113 | |||
| macelignan | macelignan: an NSAID with antioxidant, free radical scavenging, and neuroprotective activities; structure in first source | lignan | |
| desmethoxyfallypride | desmethoxyfallypride: structure given in first source | ||
| biapigenin | biapigenin: bis-apigenin coupled at 3' & 3' positions; inhibits various cytochrome P450 enzymes; isolated from St. John's Wort | flavonoid oligomer | |
| meridianin a | meridianin A: structure in first source | ||
| 2-(3',4',5',6'-tetrahydro-2'h-(2,4') bipyridinyl-1'-yl)-n-m-tolyl-acetamide | |||
| tg100-115 | 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first source | pteridines | |
| msdc-0160 | MSDC-0160: an mTOT (mitochondrial target of thiazolidinediones) modulator for insulin sensitization; structure in first source | aromatic ether | |
| cc 401 | CC 401: an anthrapyrazolone | pyrazoles; ring assembly | |
| bms 599626 | |||
| exel-7647 | tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties. | ||
| volasertib | BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source | ||
| pha 665752 | dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
| l 783277 | |||
| Sphaeropsidin C | tricyclic diterpenoid | metabolite | |
| ly 338522 | LY 338522: des-methyl metabolite of LY333531; structure in first source | ||
| PDGF receptor tyrosine kinase inhibitor III | PDGF receptor tyrosine kinase inhibitor III : An N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a (4-phenoxyphenyl)aminocarbonyl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a 6,7-dimethoxyquinazolin-4-yl group. It is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| 5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one | extended flavonoid | ||
| 2-(4-methoxyphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| Lyngbic acid | lyngbic acid: coral secondary metabolite | long-chain fatty acid | metabolite |
| (2s,3r,5r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one | steroid | ||
| azd 7762 | aromatic amide; thiophenes | ||
| cariprazine | cariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder. cariprazine: Structure in first source | ||
| regorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor | |
| calpain inhibitor iii | calpain inhibitor III: potential anticataract drug | ||
| 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | methoxybenzenes; substituted aniline | ||
| 2-(4-chlorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| degrasyn | degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source | ||
| brivanib | aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist | |
| mbx-8025 | seladelpar: PPAR-delta agonist | ||
| icg 001 | peptide | ||
| mp470 | N-arylpiperazine | ||
| rgb 286638 | |||
| 5-hydroxy-2-n,n-dipropylaminotetralin, (s)-isomer | |||
| Xanthoangelol D | chalcones | ||
| 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 |
| nu 7441 | 8-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one: structure in first source | dibenzothiophenes | |
| at 7519 | 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine. | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| bms-690514 | |||
| bi 2536 | |||
| N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide | (trifluoromethyl)benzenes | ||
| inno-406 | biaryl | ||
| cannabidiol hydroxyquinone | cannabidiol hydroxyquinone: structure given in first source; an air oxidation product of cannabidiol; inhibits the hepatic microsomal drug-metabolizing enzymes of mice through the decrease of cytochrome P-450 content; RN given refers to (1R-trans)-isomer | prenylquinone | |
| r 1487 | |||
| nvp-ast487 | NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells | ||
| 6-hydroxy-7-methoxychroman-2-carboxylic acid phenylamide | 6-hydroxy-7-methoxychroman-2-carboxylic acid phenylamide: structure in first souce | ||
| kw 2449 | KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source | ||
| naluzotan | naluzotan: an antidepressant and anti-anxiety agent; structure in first source | ||
| danusertib | piperazines | ||
| N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide | benzamides | ||
| pg 01037 | |||
| lt175 | |||
| abt 869 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| azd 8931 | sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3. | aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
| arq 197 | indoles | ||
| azd 1152 | AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
| pf 00299804 | dacomitinib : A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group. dacomitinib: a pan-ERBB inhibitor | enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
| ridaforolimus | macrolide lactam | ||
| dorsomorphin | dorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling. dorsomorphin: an AMPK inhibitor | aromatic ether; piperidines; pyrazolopyrimidine; pyridines | bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor |
| 5-hydroxy-2-(2-phenylethyl)chromone | 5-hydroxy-2-(2-phenylethyl)chromone: neuroprotective compound from rhizomes of Imperata cylindrica; structure in first source | ||
| ch 4987655 | |||
| 6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamide | phenylpyridine | ||
| le 404 | |||
| cortistatin a | cortistatin A : A member of the class of cortistatins that is substituted by hydroxy groups at positions 1 and 2, a dimethylamino group at the 3alpha position and an isoquinolin-7-yl group at the 17 position, with double bonds at the 9-11 and 10-19 positions (the 1R,2R,17beta enantiomer). cortistatin A: structure in first source | cortistatins; diol; secondary alcohol | |
| gw9508 | GW9508: structure in first source | aromatic amine | |
| cc-930 | |||
| pf 573228 | 6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one: structure in first source | quinolines | |
| gw 2580 | 5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source | ||
| tak 285 | N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide: also inhibits HER2; structure in first source | ||
| lassbio-579 | LASSBio-579: structure in first source | ||
| glanatec | |||
| idelalisib | idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| crizotinib | crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC) Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER. | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile | benzimidazoles | ||
| as 252424 | 5-(5-(4-fluoro-2-hydroxyphenyl)furan-2-ylmethylene)thiazolidine-2,4-dione: a PI3K gamma inhibitor; structure in first source | ||
| 4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide | Vx-11e: ERK1-2 inhibitor | aromatic amide; heteroarene | |
| osi 906 | cyclobutanes; quinolines | ||
| zstk474 | ZSTK-474 : A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group. It is an inhibitor of phosphatidylinositol 3-kinase. | benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| chir-265 | aromatic ether | ||
| motesanib | pyridinecarboxamide | ||
| fostamatinib | fostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406 | ||
| chromazonarol | |||
| ginsenoside rd | ginsenoside Rd : A ginsenoside found in Panax ginseng and Panax japonicus var. major that is (20S)-ginsenoside Rg3 in which the hydroxy group at position 20 has been converted to its beta-D-glucopyranoside. ginsenoside Rd: RN refers to (3beta,12beta)-isomer | beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary |
| trametinib | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector | |
| mln8054 | benzazepine | ||
| pf-562,271 | indoles | ||
| pha 767491 | PHA 767491: a Cdc7 inhibitor; structure in first source | pyrrolopyridine | |
| GDC-0879 | indanes; ketoxime; primary alcohol; pyrazoles; pyridines | antineoplastic agent; B-Raf inhibitor | |
| gsk598809 | GSK598809: a dopamine D3 receptor antagonist | ||
| lj 529 | |||
| 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 |
| N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) ester | piperazines | ||
| N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl)methyl]-4-methylbenzenesulfonamide | organonitrogen compound; organooxygen compound | ||
| jnj-26483327 | JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010 | ||
| ly2603618 | ureas | ||
| 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolamine | pyrazoles; ring assembly | ||
| 6-fluoronorepinephrine monohydrochloride, (+-)-isomer | |||
| calcimycin | Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems. | benzoxazole | |
| Dihydro-beta-erythroidine hydrobromide | indoles | ||
| efaroxan hydrochloride | |||
| alpha-methyltyrosine methyl ester, monohydrochloride | |||
| 2-methoxyidazoxan hydrochloride | |||
| sk&f 77434 | N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide : A hydrobromide salt prepared from N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo. | hydrobromide | dopamine agonist; prodrug |
| N-[5-[2-(4-chloroanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-furancarboxamide | thiazoles | ||
| ku-0060648 | dibenzothiophenes | ||
| tg100801 | |||
| dactolisib | dactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment. dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| bgt226 | BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor. BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor. | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-2,4-dioxobutanamide | aromatic ketone | ||
| 1-(4-fluorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea | organonitrogen compound; organooxygen compound | ||
| 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea | organonitrogen compound; organooxygen compound | ||
| 1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea | organonitrogen compound; organooxygen compound | ||
| 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester | benzoate ester | ||
| 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide | naphthalenecarboxamide | ||
| [9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone | aromatic ketone; quinolines | ||
| arhalofenate | arhalofenate: a PPAR-gamma modulator | ||
| octoclothepine, (s)-isomer | |||
| ginsenoside rb3 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite | |
| 2-(3-chlorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| 4-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide | sulfonamide | ||
| odoratin | odoratin: structure; RN given refers to cpd without isomeric designation | ||
| 2',3'-dihydroxy-4',6'-dimethoxychalcone | 2',3'-dihydroxy-4',6'-dimethoxychalcone: from the leaves of green perilla (Perilla frutescens var. crispa f. viridis); structure in first source | ||
| dehydrocurvularin | macrolide | ||
| hypocrellin a | hypocrellin A: isolated from fungus Hypocrella bambusae sacc | ||
| mogrol | mogrol : A tetracyclic triterpenoid that is cucurbitadienol in which the side-chain double bond (position 24-25) has undergone formal oxidation to introduce hydroxy groups at positions 24 and 25 (the 24R stereoisomer). It is a biometabolite of mogrosides found in Siraitia grosvenorii. | hydroxy seco-steroid; tetracyclic triterpenoid | antineoplastic agent |
| 4-methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester | methoxybenzoic acid | ||
| 3,6-diamino-10-methylacridinium chloride hydrochloride | 3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. | hydrochloride | antibacterial agent; antiseptic drug; carcinogenic agent; intercalator |
| lantadene b | lantadene B: RN given refers to the (22beta)-isomer; from Lantana camara | ||
| 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamide | C-nitro compound | ||
| 3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide | pyrazoles; ring assembly | ||
| ku 60019 | |||
| gsk 461364 | GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1 | (trifluoromethyl)benzenes | |
| 3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide | quinazolines | ||
| azd 1152-hqpa | AZD2811: has antineoplastic activity; structure in first source | anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor |
| 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(phenylmethyl)propanamide | pyrazoles; ring assembly | ||
| 5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
| 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
| CDN1163 | CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA). CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source | aromatic ether; quinolines; secondary carboxamide | SERCA activator |
| 4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(phenylmethyl)butanamide | benzoxazine | ||
| [4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]methanone | piperazines | ||
| nvp-tae684 | piperidines | ||
| a 803467 | A 803467: an Nav1.8 sodium channel blocker; structure in first source | ||
| enmd 2076 | ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities | ||
| 2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide | aminopyrimidine; benzamides | protein kinase inhibitor | |
| hbx 41108 | HBX 41,108: inhibits USP7 ubiquitin protease; structure in first source | ||
| 3-[2-(4-fluorophenyl)-5-tetrazolyl]-2-methoxypyridine | tetrazoles | ||
| 4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide | 4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source | ||
| gsk 269962a | |||
| sb 772077-b | |||
| e 7050 | aromatic ether | ||
| 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone | pyrazolopyridine | ||
| tak-901 | |||
| [1-(2-benzofuranylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol | piperidines | ||
| N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamide | organonitrogen compound; organooxygen compound | ||
| 2-[(2-chloro-4-nitroanilino)methyl]-6-methoxyphenol | aromatic amine | ||
| (2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester | 1-benzothiophenes | ||
| guttiferone k | guttiferone K: antiproliferative compound of Rheedia calcicola from the Madagascar rain forest; structure in first source | ||
| pamapimod | pamapimod : A member of the class of pyridopyrimidines that is 8-methylpyrido[2,3-d]pyrimidin-7(8H)-one carrying additional (1,5-dihydroxypentan-3-yl)amino and 2,4-difluorophenoxy substituents at positions 2 and 6 respectively. It is a potent inhibitor of MAPK and is used for treatment of rheumatoid arthritis. | aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound | antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| gdc-0973 | cobimetinib : A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. cobimetinib: has antineoplastic activity; structure in first source | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| [5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
| buparlisib | NVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first source | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| azd 1480 | |||
| azd8330 | pyridinecarboxamide | ||
| thimerosal | thimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent. Thimerosal: An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate. | alkylmercury compound | antifungal drug; antiseptic drug; disinfectant; drug allergen |
| pha 848125 | N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor | ||
| ro5126766 | CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3. RO5126766: a dual MEK/RAF kinase inhibitor | aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| pevonedistat | pevonedistat : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes. pevonedistat: a potent and selective inhibitor of NAE (NEDD8-activating enzyme) | cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate | antineoplastic agent; apoptosis inducer |
| fedratinib | fedratinib: a selective small-molecule inhibitor of JAK2 | sulfonamide | |
| bms 687453 | |||
| gsk690693 | 1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | |
| ku 0063794 | Ku 0063794: an mTOR inhibitor; structure in first source | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor |
| sp 203 | 3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile: a radioligand for mGlu5 receptor; structure in first source | ||
| ipratropium bromide | ipratropium bromide hydrate : The monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma. | ||
| 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene | 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source | ||
| N-[3-[2-(4-chloroanilino)-4-thiazolyl]phenyl]-3-(trifluoromethyl)benzamide | benzamides | ||
| 2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-thiazolecarboxamide | benzamides | ||
| (3R)-7-phenyl-2-(phenylmethyl)-3-[4-(trifluoromethyl)phenyl]-3a,6,7,7a-tetrahydro-3H-isoindol-1-one | pyrrolidines | ||
| (3R,3aS,7R,7aS)-7-methyl-3-(2-naphthalenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one | pyrrolidines | ||
| N4-(4-methoxyphenyl)-N5-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide | aromatic amide | ||
| azd5438 | sulfonamide | ||
| (e)-3-(2,3,4,5-tetrabromophenyl)acrylic acid | (E)-3-(2,3,4,5-tetrabromophenyl)acrylic acid: casein kinase II inhibitor | ||
| N'-[(2-methoxyphenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide | benzoic acids | ||
| N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide | isoquinolines | ||
| 1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-methoxy-isatin | benzodioxine | anticoronaviral agent | |
| pf 04217903 | quinolines | ||
| gdc 0941 | pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring. | indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| amorfrutin a | amorfrutin A: an antidiabetic agent that inhibits NF-kappaB activation; structure in first source | stilbenoid | |
| N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide | benzothiazine | ||
| achalensolide | achalensolide: structure in first source | ||
| icotinib | |||
| ph 797804 | PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. PH 797804: an NSAID; structure in first source | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| 5-fluoro-2-phenyl-1,2-benzothiazol-3-one | benzothiazoles | ||
| 2-(2-fluorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| 2-(4-fluorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
| 3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | acetamides | ||
| kx-01 | |||
| p276-00 | P276-00: antineoplastic, cyclin-dependent kinase inhibitor; structure in first source | ||
| potassium aminobenzoate | |||
| meclofenamate sodium anhydrous | sodium meclofenamate monohydrate : A hydrate that is the monohydrate of the sodium salt of meclofenamic acid. It is used for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. | hydrate | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
| cefoxitin sodium | organic molecular entity | ||
| cloxacillin sodium | organic sodium salt | ||
| fractals | (3S,5R)-fluvastatin sodium : An organic sodium salt resulting from the replacement of the proton from the carboxy group of (3S,5R)-fluvastatin by a sodium ion. | organic sodium salt; statin (synthetic) | |
| naproxen sodium | naproxen sodium : An organic sodium salt consisting of equimolar amounts of naproxen(1-) anions and sodium anions. | organic sodium salt | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| sodium 2,6-dichloroindophenol | organic molecular entity | ||
| meriolin 3 | meriolin 3: a cell death-inducing kinase inhibitor; structure in first source | ||
| plx 4720 | PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first source | aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
| 11,15>]Heptadec-14-yl]-5-hydrofuran-2-one, hydrate | cardenolide glycoside | ||
| 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide | benzamides | ||
| amorfrutin b | amorfrutin B: structure in first source | ||
| mk 5108 | aromatic ether | ||
| cx 4945 | |||
| cudc 101 | 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source | ||
| amg 458 | 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide: a c-met inhibitor; structure in first source | ||
| arry-614 | pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein | ||
| tak 593 | TAK 593: structure in first source | ||
| mln 8237 | MLN 8237: an aurora kinase A inhibitor | benzazepine | |
| sgx 523 | aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine | c-Met tyrosine kinase inhibitor; nephrotoxic agent | |
| bms 754807 | BMS 754807: an IGR-1R kinase inhibitor; structure in first source | pyrazoles; pyridines; pyrrolidines; pyrrolotriazine | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-thiadiazolecarboxamide | pyrazoles; ring assembly | ||
| 4-[oxo-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methyl]-1-piperazinecarboxylic acid ethyl ester | benzoxazole | ||
| bms 777607 | N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first source | aromatic amide | |
| sgi 1776 | SGI 1776: a Pim kinase inhibitor; structure in first source | imidazoles | |
| ys 121 | 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid: inhibits microsomal prostaglanding E2 synthase; structure in first source | medium-chain fatty acid | |
| N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)-2-furancarboxamide | pyrazoles; ring assembly | ||
| 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-3-isoxazolecarboxamide | methoxybenzenes | ||
| pci 32765 | ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies. ibrutinib: a Btk protein inhibitor | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| cink4 | CINK4: cyclin-dependent kinase 4 inhibitor; may have tumor suppression activity; structure in first source | indoles | |
| ponatinib | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor | |
| 10-nitro-oleic acid | (9E)-10-nitrooctadecenoic acid : A nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 10. 10-nitro-oleic acid: structure in first source | long-chain fatty acid; monounsaturated fatty acid; nitro fatty acid | human metabolite |
| amg 900 | N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source | ||
| (3S)-3-(2-methylpropyl)-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester | organonitrogen compound; organooxygen compound | ||
| (3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester | organonitrogen compound; organooxygen compound | ||
| (3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester | organonitrogen compound; organooxygen compound | ||
| (3R)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid diethyl ester | organonitrogen compound; organooxygen compound | ||
| N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide | N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide : A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively. | benzamides; biphenyls; cyclopropanes; dicarboxylic acid diamide | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| mk-1775 | adavosertib: a Wee1 kinase inhibitor; structure in first source | piperazines | |
| AMG-208 | aromatic ether; quinolines; triazolopyridazine | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
| tubocurarine chloride | |||
| quizartinib | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor | |
| PP121 | aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor | |
| at13148 | |||
| tak 733 | |||
| mk 2206 | MK 2206: a protein kinase inhibitor and antineoplastic agent | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| stachyose | |||
| sns 314 | SNS 314: an aurora kinase inhibitor; structure in first source | ureas | |
| lucitanib | E-3810 : A hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor E-3810 free base : A naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine. E-3810: a multi-kinase inhibitor with antineoplastic activity; structure in first source | aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines | antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist |
| pf-04691502 | |||
| n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | momelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis. N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source | aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound | anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| dcc-2036 | rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor |
| rimorphin | rimorphin: tridecapeptide NH2-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Gln-Phe-Lys-Val-Val-Thr-COOH from bovine posterior pituitary gland; major leucine enkephalin containing peptide in tissue that contains dynorphin & alpha-neo-endorphin | ||
| cabozantinib | cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer. cabozantinib: a multikinase inhibitor | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
| ldc067 | |||
| N-(1-benzothiophen-7-ylmethyl)-2-thiophenecarboxamide | 1-benzothiophenes | ||
| N-(1-naphthalenylmethyl)-2-thiophenecarboxamide | naphthalenes | ||
| defactinib | |||
| ly2584702 | |||
| bs 194 | |||
| incb-018424 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | |
| poziotinib | HM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric cancer | acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist |
| asp3026 | ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties. ASP3026: an anaplastic lymphoma receptor tyrosine kinase inhibitor; structure in first source | aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone | antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
| entrectinib | entrectinib : A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours. entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source | benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide | antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| pexidartinib | pexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT). pexidartinib: inhibits both CSF1R and c-kit receptor tyrosine kinase; structure in first source | aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| TAK-580 | MLN 2480: brain-penetrant RAF dimer antagonist TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
| gsk 2126458 | omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors. omipalisib: inhibitor of mTOR protein | aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide | anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent |
| (R)-DRF053 | (R)-DRF053 : A member of the class of 2,6-diaminopurines that is 2,6-diamiopurine which is substituted by an isopropyl group at position 9 and in which the amino groups at positions 2 and 6 are substituted by a 1-hydroxybutan-2-yl and 3-(pyridin-2-yl)phenyl groups, respectively (the R enantiomer). A cyclin dependent kinase inhibitor, widely used as its hydrochloride hydrate. | 2,6-diaminopurines; phenylpyridine; primary alcohol; secondary amino compound | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| emd1214063 | tepotinib: MET inhibitor | ||
| gsk 1838705a | organonitrogen compound; organooxygen compound | ||
| gne 477 | GNE 477: inhibits phosphatidylinositol 3-kinase and mTOR; structure in first source | ||
| pf 3758309 | PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| gdc 0980 | |||
| wye 125132 | WYE 125132: an antineoplastic agent that inhibits mTORC1 and mTORC2 | ureas | |
| azd2014 | vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source | ||
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
| (+)-(7S)-sydonic acid | (+)-(7S)-sydonic acid : A sesquiterpenoid that is benzoic acid substituted by a hydroxy group at position 3 and a (2S)-2-hydroxy-6-methylheptan-2-yl group at position 4. It has been isolated from the sea fan derived fungus Aspergillus sydowii. | aromatic alcohol; monohydroxybenzoic acid; sesquiterpenoid | Aspergillus metabolite |
| LSM-27979 | pyrrolidines | ||
| plx4032 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor | |
| gsk 1363089 | GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first source | aromatic ether | |
| arry-334543 | ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source | ||
| kin-193 | pyridopyrimidine | ||
| mk 2461 | |||
| 4-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-dithiazolimine | organochlorine compound | ||
| 4-[3-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide | sulfonamide | ||
| xanthoxylol, (1r-(1alpha,3alpha,4beta,6aalpha))-isomer | |||
| bay 869766 | |||
| as 703026 | pyridinecarboxamide | ||
| pki 402 | PKI 402: also inhibits mammalian target of rapamycin; structure in first source | ||
| 3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | aromatic ether | ||
| (2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one | dialkylarylamine; tertiary amino compound | ||
| N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide | ureas | ||
| sar 020106 | SAR 020106: a CHK1 inhibitor; structure in first source | ||
| baricitinib | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent | |
| 4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester | WYE-354: an mTOR inhibitor; structure in first source | carbamate ester | |
| lyngbyastatin 3 | lyngbyastatin 3: from cyanobacteria; structure in first source | ||
| dabrafenib | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor | |
| nitd 609 | NITD 609: an antimalarial and coccidiostat; structure in first source | ||
| pki 587 | gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source | ||
| cp 466722 | quinazolines | ||
| 2,3-dihydro-3beta-O-sulfate withaferin A | 2,3-dihydro-3beta-O-sulfate withaferin A : A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide | antineoplastic agent; metabolite; plant metabolite |
| gypenoside XVII | gypenoside XVII : A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranoside and beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | plant metabolite |
| CAY10626 | ureas | ||
| 2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine | triazoles | ||
| n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | merestinib: in phase I clinical trials (2013); structure in first source | ||
| 5-(2,5-difluorophenyl)-N-(2,6-dimethylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
| N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide | aromatic amide; furans | ||
| pf 3644022 | |||
| ribociclib | ribociclib: inhibits both CDK4 and CDK6 | ||
| 3-furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone | N-arylpiperazine | ||
| mk-8033 | 1-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide: inhibits both Ron and c-Met kinases; structure in first source | ||
| 5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | sapanisertib: an mTOR inhibitor | benzoxazole | |
| bay 1000394 | roniciclib: an antineoplastic agent that inhibits cyclin-dependent kinases; structure in first source | ||
| pha 793887 | piperidinecarboxamide | ||
| tak-632 | TAK-632 : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAF(V600E), BRAF(WT), respectively. | (trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor |
| sb 1518 | |||
| abemaciclib | |||
| [5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid | [5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid : A sulindac-based non-steroidal anti-inflammatory drug. K-80003: sulindac derivative that inhibits activation of phosphoinositide 3-kinase (PI3K) by retinoid X receptor alpha (RXRalpha) in tumor cells | organofluorine compound | non-steroidal anti-inflammatory drug |
| gsk0660 | GSK0660: PPAR antagonist; structure in first source | sulfonamide | |
| mk-8776 | |||
| (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine | indoles | ||
| afuresertib | amphetamines | ||
| gsk 1070916 | GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activity | pyrazoles; ring assembly | |
| (20R)-ginsenoside Rg3 | (20R)-ginsenoside Rg3 : A ginsenoside found in Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-R positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranosyl-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. | ginsenoside; glycoside; tetracyclic triterpenoid | antioxidant; plant metabolite |
| jq1 compound | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer | |
| jnj38877605 | quinolines | ||
| dinaciclib | pyrazolopyrimidine | ||
| etp-46321 | ETP-46321: inhibits PI3K alpha and PI3K delta; structure in first source | ||
| 1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone | 1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone: a USP7 inhibitor; structure in first source | ||
| gsk525762a | molibresib: mimicks acetylated histones; structure in first source | benzodiazepine | |
| ch 5132799 | CH 5132799: structure in first source | ||
| nms p937 | NMS P937: a polo-like kinase 1 inhibitor; structure in first source | ||
| gilteritinib | gilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation. gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor | aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| alectinib | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
| longdaysin | |||
| glpg0634 | |||
| torin 1 | torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor |
| nms-p118 | NMS-P118: a PARP-1 inhibitor; structure in first source | ||
| bs-181 | BS-181: a CDK7 inhibitor with antineoplastic activity | pyrazolopyrimidine | |
| n,n-diallyl-5-methoxytryptamine | N,N-diallyl-5-methoxytryptamine: structure in first source | tryptamines | |
| encorafenib | encorafenib: a BRAF inhibitor | ||
| bms-911543 | N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide: has antineoplastic activity; structure in first source | ||
| ve 821 | 3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide: an antineoplastic agent; structure in first source | aromatic amide | |
| gdc-0032 | |||
| pf-4989216 | PF-4989216: inhibits phosphatidylinositol 3-kinase; structure in first source | ||
| gsk2141795 | GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source | ||
| butyrolactone i | butyrolactone I: selective inhibitor of cdk2 & cdc2 kinase; structure given in first source | butenolide | |
| torin 2 | torin 2 : A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline | antineoplastic agent; mTOR inhibitor |
| gsk1210151a | GSK1210151A: inhibitor of the BET family of proteins; structure in first source | imidazoquinoline | |
| i-bet726 | |||
| azd8186 | |||
| sr1664 | indolecarboxamide | ||
| cx 5011 | |||
| chir 98014 | aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator | |
| cudc-907 | |||
| novobiocin | novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus. Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189) | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
| 1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-3-quinolinecarboxamide | aromatic amide; quinolines | ||
| piroxicam | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug | |
| lfm a13 | LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties. | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
| mobic | meloxicam : A benzothiazine that is piroxicam in which the pyridin-2-yl group is replaced by a 5-methyl-1,3-thiazol-2-yl group. A non-steroidal anti-inflammatory drug and selective inhibitor of COX-2, it is used particularly for the management of rheumatoid arthritis. Meloxicam: A benzothiazine and thiazole derivative that acts as a NSAID and cyclooxygenase-2 (COX-2) inhibitor. It is used in the treatment of RHEUMATOID ARTHRITIS; OSTEOARTHRITIS; and ANKYLOSING SPONDYLITIS. | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
| 4-hydroxy-1-methyl-3-(phenylthio)-1,2-dihydroquinolin-2-one | quinolines | ||
| 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propyl-3-quinazolinyl)-3-quinolinecarboxamide | aromatic amide; quinolines | ||
| N'-[(2-chlorophenyl)-oxomethyl]-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarbohydrazide | aromatic amide; quinolines | ||
| 4,7-Dihydroxy-2H-1-benzopyran-2-one | hydroxycoumarin | ||
| 4-hydroxy-1-methyl-N'-[(3-methylphenyl)-oxomethyl]-2-oxo-3-quinolinecarbohydrazide | aromatic amide; quinolines | ||
| 4-hydroxy-2-oxo-1-prop-2-enyl-N-(3-pyridinyl)-3-quinolinecarboxamide | aromatic amide; quinolines | ||
| 1-ethyl-4-hydroxy-2-oxo-N'-(1-oxoheptyl)-3-quinolinecarbohydrazide | aromatic amide; quinolines | ||
| N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide | hydroxyquinoline | ||
| 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | ||
| 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetic acid pentyl ester | hydroxyquinoline | ||
| N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarboxamide | aromatic amide; quinolines | ||
| a 769662 | biphenyls | ||
| palinurin | palinurin: an NSAID with antibacterial activity; isolated from Ircinia species; structure in firs t source | ||
| urmc-099 | URMC-099: inhibits mixed lineage kinase 3 | ||
| sar245408 | |||
| on123300 | ON123300: a protein kinase inhibitor; structure in first source | ||
| byl719 | proline derivative | ||
| cep-32496 | agerafenib: inhibitor of RAF family kinases; structure in first source | ||
| amg 511 | AMG 511: structure in first source | ||
| 3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid | organonitrogen heterocyclic compound | ||
| cep-28122 | CEP-28122: inhibits anaplastic lymphoma kinase; structure in first source | ||
| rociletinib | rociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source | ||
| ceritinib | ceritinib : A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer. ceritinib: an anaplastic lymphoma kinase inhibitor | aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| 4-[[9-[(3R)-3-oxolanyl]-8-(2,4,6-trifluoroanilino)-2-purinyl]amino]-1-cyclohexanol | purines | ||
| cc214-2 | CC214-2: an mTOR kinase inhibitor; structure in first source | ||
| cc-223 | |||
| cc-115 | 1-ethyl-7-(2-methyl-6-(1H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino(2,3-b)pyrazin-2(1H)-one: an mTOR kinase inhibitor; structure in first source | ||
| azd1208 | |||
| vx-509 | |||
| vx-970 | berzosertib: an ATR kinase inhibitor | sulfonamide | |
| rki-1447 | RKI-1447: an antineoplastic agent that inhibits ROCK1 and ROCK2; structure in first source | ||
| epz005687 | EPZ005687: inhibits EZH2 protein; structure in first source | indazoles | |
| amg 925 | AMG-925 : An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML). | ||
| debio 1347 | CH5183284: a fibroblast growth factor receptor antagonist; structure in first source | ||
| epz-6438 | tazemetostat: a histone methyltransferase EZH2 inhibitor with antineoplastic activity | ||
| ar-12286 | AR-12286: a Rho kinase inhibitor | ||
| gsk-2816126 | GSK-2816126: inhibits EZH2 methyltransferase; structure in first source | piperazines; pyridines | |
| volitinib | |||
| gne-317 | GNE-317: an mTOR inhibitor also; structure in first source | ||
| chr-6494 | |||
| gsk343 | GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM). GSK343: an EZH2 methyltransferase inhibitor | aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
| 2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide | 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide: a probe for bromo and extra C-terminal domain proteins; structure in first source | quinazolines | |
| osimertinib | osimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. osimertinib: an EGFR tyrosine kinase inhibitor | acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
| ctx-0294885 | CTx-0294885: structure in first source | ||
| 1-[(1R)-1-(1-ethylsulfonyl-4-piperidinyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-indolecarboxamide | (R)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide: EZH2 inhibitor | indolecarboxamide | |
| ly3009120 | LY3009120 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAF(V600E), BRAF(WT) and CRAF(WT) (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties. LY3009120: a pan-RAF inhibitor; structure in first source | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor |
| etp-46464 | ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source | ||
| 1,2-bis(isothiazol-5-yl)disulfane | 1,2-bis(isothiazol-5-yl)disulfane: structure in first source | ||
| sar405 | SAR405: a Vps34 inhibitor with antineoplastic activity; structure in first source | ||
| ldc4297 | LDC4297 : A pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity. LDC4297: a CDK7 inhibitor with antineoplastic activity; structure in first source | aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound | antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| hg-9-91-01 | HG-9-91-01 : A member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer. HG-9-91-01: inhibits salt-inducible kinases; structure in first source | aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound | antineoplastic agent; salt-inducible kinase 2 inhibitor |
| MZ1 | organic molecular entity | ||
| at 9283 | |||
| otssp167 | OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity | ||
| chir 258 | |||
| can 508 | CAN 508: has antiangiogenic activity; structure in first source CAN-508 : A member of the class of pyrazoles that is 1H-pyrazole substituted by amino, (4-hydroxyphenyl)diazenyl, and amino groups at positions 3, 4 and 5, respectively. It is a CDK9 inhibitor (IC50 = 0.35 muM) with 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes. | aromatic amine; monoazo compound; phenols; pyrazoles | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| osi 027 | OSI 027: inhibits both mTORC1 and mTORC2; structure in first source | ||
| ((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one) | leucettine L41 : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a (2-anilino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)methyl group at position 5. It is an inhibitor of DYRK1A, DYRK2, CLK1, and CLK3 (IC50s = 0.04, 0.035, 0.015, and 4.5 muM, respectively). | benzodioxoles; imidazolone; substituted aniline | autophagy inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.12.1 (dual-specificity kinase) inhibitor; neuroprotective agent; nootropic agent |
| 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 |
| didanosine | didanosine : A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS. Didanosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite. | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
| 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 |
| ro 3306 | RO 3306: structure in first source | ||
| allopurinol | allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms. | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
| makaluvamine f | makaluvamine F: a potent & cytotoxic marine alkaloid; structure in first source | ||
| 1-hydroxyphenazine | 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position. 1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa | phenazines | |
| bentazepam | bentazepam: RN given refers to parent cpd; structure | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| tegaserod maleate | maleate salt | serotonergic agonist | |
| hymenialdisine | |||
| isogranulatimide | isogranulatimide: G2 checkpoint inhibitor; structure in first source | ||
| hesperadin | |||
| nintedanib | nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer. | ||
| 7-bromoindirubin-3'-oxime | 7-bromoindirubin-3'-oxime: has mild protein kinase inhibitory activity; induces caspase-independent cell death; structure in first source | ||
| oosporein | oosporein: from Chaetomium trilaterale; found in moldy peanuts | ||
| 6-methyl-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one | 1,2,4-triazines | ||
| N-butyl-5-(3,4-dimethylphenyl)-6H-1,3,4-thiadiazin-2-amine | methylbenzene | ||
| 2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-one | quinazolines | ||
| ly 518674 | LY 518674: a peroxisome proliferator-activated receptor alpha agonist; structure in first source | ||
| debromohymenialdisine | |||
| hydrazinocurcumin | hydrazinocurcumin : A pyrazole obtained by cyclocodensation of the two carbonyl groups of curcumin with hydrazine. hydrazinocurcumin: structure in first source | aromatic ether; olefinic compound; polyphenol; pyrazoles | angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| carbadox | Carbadox: An antibacterial agent that has been used in veterinary practice for treating swine dysentery and enteritis and for promoting growth. However, its use has been prohibited in the UK following reports of carcinogenicity and mutagenicity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p125) | quinoxaline derivative | |
| 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester | leucine derivative | ||
| 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester | benzoate ester | ||
| XL413 | XL413 : A benzofuropyrimidine that is 3,4-dihydro[1]benzofuro[3,2-d]pyrimidine substituted by (2S)-pyrrolidin-2-yl, oxo and chloro groups at positions 2, 4, and 8, respectively. It is a potent ATP competitive inhibitor of Cdc7 kinase (IC50 = 3.4 nM) and exhibits anticancer properties. | benzofuropyrimidine; organochlorine compound; pyrrolidines | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| rvx 208 | apabetalone: a bromodomain and extra-terminal domain protein (BET) inhibitor; prevents interactions between BET proteins and acetyl-lysine residues on histone tails to modify epigenetic regulation | ||
| bay 80-6946 | copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies. copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source | ||
| pp242 | torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine | antineoplastic agent; mTOR inhibitor |
| nms-e973 | NMS-E973: structure in first source | ||
| as1940477 |