Target type: molecularfunction
Binding to a specific sequence of DNA that is part of a regulatory region that controls transcription of that section of the DNA. The transcribed region might be described as a gene, cistron, or operon. [GOC:txnOH]
Transcription cis-regulatory region binding refers to the process by which proteins or protein complexes interact with specific DNA sequences within cis-regulatory regions, which are non-coding regions of DNA that regulate the expression of nearby genes. These interactions play a crucial role in controlling gene expression by influencing the initiation and regulation of transcription.
Cis-regulatory regions can include promoters, enhancers, silencers, and insulators. Transcription factors, a type of protein that binds to DNA, are key players in cis-regulatory region binding.
**Here's a breakdown of the molecular function:**
* **Recognition and Binding:** Transcription factors possess specific DNA-binding domains that recognize and bind to short, specific DNA sequences within cis-regulatory regions. These sequences are often called response elements or regulatory elements.
* **Recruitment of Other Factors:** Once bound, transcription factors act as scaffolds, recruiting other proteins and co-factors to the region. These factors can include:
* **General Transcription Factors:** Essential for the assembly of the pre-initiation complex (PIC), which is required for RNA polymerase II to initiate transcription.
* **Co-activators and Co-repressors:** These proteins can either enhance or repress transcription by interacting with transcription factors and modifying chromatin structure.
* **Regulation of Transcription Initiation:** The binding of transcription factors and the recruitment of co-factors can influence the accessibility of DNA to RNA polymerase II, ultimately controlling the rate of transcription initiation.
* **Fine-Tuning of Gene Expression:** Transcription factors can act individually or in combination to regulate gene expression in a complex and dynamic manner. This allows for precise control of gene expression in response to various cellular signals and environmental stimuli.
Overall, transcription cis-regulatory region binding is a crucial process that enables cells to precisely regulate gene expression, ensuring the production of the right proteins at the right time and in the right amounts. This is essential for normal cellular function, development, and response to environmental cues.'
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Protein | Definition | Taxonomy |
---|---|---|
Transcription factor AP-1 | A transcription factor Jun that is encoded in the genome of chicken. [OMA:P18870, PRO:DNx] | Gallus gallus (chicken) |
Histone deacetylase 5 | A histone deacetylase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UQL6] | Homo sapiens (human) |
Set1/Ash2 histone methyltransferase complex subunit ASH2 | A Set1/Ash2 histone methyltransferase complex subunit ASH2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBL3] | Homo sapiens (human) |
Transcription factor 7-like 2 | A transcription factor 7-like 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NQB0] | Homo sapiens (human) |
Bromodomain-containing protein 7 | A bromodomain-containing protein 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NPI1] | Homo sapiens (human) |
Histone-lysine N-methyltransferase SUV39H2 | A histone-lysine N-methyltransferase SUV39H2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H5I1] | Homo sapiens (human) |
Histone-arginine methyltransferase CARM1 | A histone-arginine methyltransferase CARM1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86X55] | Homo sapiens (human) |
Cryptochrome-2 | A cryptochrome-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q49AN0] | Homo sapiens (human) |
Nuclear factor erythroid 2-related factor 2 | A nuclear factor erythroid 2-related factor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16236] | Homo sapiens (human) |
Receptor tyrosine-protein kinase erbB-4 | A receptor tyrosine-protein kinase erbB-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15303] | Homo sapiens (human) |
Retinoblastoma-binding protein 5 | A retinoblastoma-binding protein 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15291] | Homo sapiens (human) |
Oxysterols receptor LXR-alpha | An oxysterols receptor LXR-alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13133] | Homo sapiens (human) |
Oxysterols receptor LXR-alpha | An oxysterols receptor LXR-alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13133] | Homo sapiens (human) |
Potassium voltage-gated channel subfamily H member 2 | A voltage-gated potassium channel KCNH2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q12809] | Homo sapiens (human) |
Transcription factor p65 | A transcription factor p65 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
Friend leukemia integration 1 transcription factor | A Friend leukemia integration 1 transcription factor that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01543] | Homo sapiens (human) |
Heat shock factor protein 1 | A heat shock factor protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q00613] | Homo sapiens (human) |
Histone deacetylase 4 | A histone deacetylase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56524] | Homo sapiens (human) |
Probable global transcription activator SNF2L2 | A probable global transcription activator SNF2L2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51531] | 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) |
Signal transducer and activator of transcription 3 | A signal transducer and activator of transcription 3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P40763] | Homo sapiens (human) |
Breast cancer type 1 susceptibility protein | A breast cancer type 1 susceptibility protein that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
Alpha-synuclein | An alpha-synuclein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P37840] | 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) |
Aryl hydrocarbon receptor | An aryl hydrocarbon receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35869] | Homo sapiens (human) |
Lysine-specific demethylase 5A | A lysine-specific demethylase 5A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29375] | Homo sapiens (human) |
Nuclear receptor subfamily 1 group D member 1 | A nuclear receptor subfamily 1 group D member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20393] | Homo sapiens (human) |
Nuclear factor NF-kappa-B p105 subunit | A nuclear factor NF-kappa-B p105 subunit that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
Retinoic acid receptor RXR-alpha | A retinoic acid receptor RXR-alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19793] | Homo sapiens (human) |
Thyroid hormone receptor alpha | A thyroid hormone receptor alpha that is encoded in the genome of human. [PRO:HJD, UniProtKB:P10827] | Homo sapiens (human) |
Androgen receptor | An androgen receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10275] | Homo sapiens (human) |
High mobility group protein B1 | A high mobility group protein B1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09429] | Homo sapiens (human) |
POU domain, class 2, transcription factor 2 | A POU domain, class 2, transcription factor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09086] | Homo sapiens (human) |
Zinc finger protein GLI1 | A zinc finger protein GLI1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08151] | Homo sapiens (human) |
Transcription factor AP-1 | A transcription factor Jun that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05412] | Homo sapiens (human) |
Cellular tumor antigen p53 | A cellular tumor antigen p53 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P04637] | Homo sapiens (human) |
Tumor necrosis factor | A tumor necrosis factor that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
Proto-oncogene c-Fos | A protein c-Fos that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01100] | Homo sapiens (human) |
Nuclear receptor corepressor 1 | A nuclear receptor corepressor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75376] | Homo sapiens (human) |
Bromodomain-containing protein 4 | A bromodomain-containing protein 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60885] | Homo sapiens (human) |
Transcription factor MafK | A transcription factor MafK that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60675] | Homo sapiens (human) |
Cyclin-T1 | A cyclin-T1 that is encoded in the genome of human. [PRO:CNA] | Homo sapiens (human) |
Forkhead box protein O3 | A forkhead box protein O3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43524] | Homo sapiens (human) |
Histone-lysine N-methyltransferase SUV39H1 | A histone-lysine N-methyltransferase SUV39H1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43463] | Homo sapiens (human) |
Period circadian protein homolog 2 | A period circadian protein homolog 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15055] | Homo sapiens (human) |
Histone-lysine N-methyltransferase 2D | A histone-lysine N-methyltransferase 2D that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14686] | Homo sapiens (human) |
Menin | A menin that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00255] | 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 |
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 |
acetaldehyde | acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke. Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group. | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
adipic acid | adipic acid : An alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | food acidity regulator; human xenobiotic metabolite |
allantoin | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary | |
benzene | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent | |
benzoic acid | aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent. Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
benzyl alcohol | aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent. Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents. | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
butyraldehyde | butanals | biomarker; Escherichia coli metabolite; mouse metabolite | |
1-butanol | 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
butyric acid | butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester. | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
catechol | catechols | allelochemical; genotoxin; plant metabolite | |
chlordecone | cyclic ketone; organochlorine compound | insecticide; persistent organic pollutant | |
2-cresol | 2-cresol: RN given refers to parent cpd o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. | cresol | human xenobiotic 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 |
gallic acid | gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
octanoic acid | octanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human 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 |
guaiacol | guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747) methylcatechol : Any member of the class of catechols carrying one or more methyl substituents. | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
[3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammonium | acylcholine | ||
propionaldehyde | propanal : An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals. propionaldehyde: may cause respiratory irritation; RN given refers to parent cpd; structure | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
dibenzofuran | dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof. Dibenzofurans: Compounds that include the structure of dibenzofuran. | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
1,4-dihydroxy-2-naphthoic acid | dihydroxy monocarboxylic acid; naphthalenediols; naphthohydroquinone; naphthoic acid | Escherichia coli metabolite | |
hexachlorocyclohexane | beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane. Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer. | chlorocyclohexane | |
glycerol | Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil. | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
hydroquinone | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent | |
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 | |
melatonin | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger | |
3-(1-methylpyrrolidin-2-yl)pyridine | 3-(1-methylpyrrolidin-2-yl)pyridine : An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2. | N-alkylpyrrolidine; pyridine alkaloid; pyrrolidine alkaloid | |
4-aminobenzoic acid | 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group. 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid. | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
4-nitrophenol | 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. 4-nitrophenol: RN given refers to parent cpd mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position. | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
palmitic acid | hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid. Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
pentachlorophenol | PENTA: structure given in first source | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
propylene glycol | propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations. | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
pyrogallol | benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | benzenetriol; phenolic donor | plant metabolite |
pyruvic acid | pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis. Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed) | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
carbocysteine | |||
selenious acid | Selenious Acid: A selenium compound with the molecular formula H2SO3. It used as a source of SELENIUM, especially for patients that develop selenium deficiency following prolonged PARENTERAL NUTRITION. | selenium oxoacid | |
succinic acid | succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851) | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
taurine | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite | |
tryptophan | alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid | Daphnia magna metabolite | |
menthol | Menthol: A monoterpene cyclohexanol produced from mint oils. | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | catechin | ||
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 |
s,s'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea | S,S'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea: structure in first source | ||
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-methylcholanthrene | 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position. Methylcholanthrene: A carcinogen that is often used in experimental cancer studies. | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
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 | ||
ro 5-4864 | 4'-chlorodiazepam: selectively binds peripheral benzodiazepine receptor | ||
4,5,6,7-tetrabromo-2-azabenzimidazole | 4,5,6,7-tetrabromobenzotriazole: a CK2 kinase inhibitor | ||
4-aminopyridine | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker | |
p-chloromercuribenzoic acid | p-Chloromercuribenzoic Acid: An organic mercurial used as a sulfhydryl reagent. | chlorine molecular entity; mercuribenzoic acid | |
4-hydroxybenzoic acid hydrazide | 4-hydroxybenzohydrazide : A carbohydrazide obtained by formal condensation of the carboxy group of 4-hydroxybenzoic acid with hydrazine. 4-hydroxybenzoic acid hydrazide: metabolite of nifuroxazide | carbohydrazide; phenols | |
4-nonylphenol | 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group. 4-nonylphenol: structure in first source; see also record for nonylphenol | phenols | environmental contaminant |
phenytoin | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent | |
5-(n,n-hexamethylene)amiloride | 5-(N,N-hexamethylene)amiloride : A member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring. 5-(N,N-hexamethylene)amiloride: inhibitor of Na+-H+ exchange; has anti-HIV-1 activity | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
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 |
5,11-dihydroindolo[3,2-b]carbazole-12-carboxaldehyde | indolocarbazole | ||
6-nitroso-1,2-benzopyrone | |||
8-cyclopentyl-1,3-dimethylxanthine | 8-cyclopentyl-1,3-dimethylxanthine: prolongs epileptic seizures in rats | oxopurine | |
oxyquinoline | Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
tacrine | tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders. | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamide | naphthalenes; sulfonic acid derivative | ||
aa 861 | 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone: structure given in first source docebenone : A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group. | 1,4-benzoquinones; acetylenic compound; primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor |
abt 702 | bipyridines | ||
acetochlor | acetochlor : A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively. | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
aklomide | aklomide: structure | carbonyl compound; organohalogen compound | |
alachlor | alachlor : An aromatic amide that is N-(2,6-diethylphenyl)acetamide substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom. | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
albendazole | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator | |
alfuzosin | alfuzosin: structure given in first source | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
alosetron | alosetron : A pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position. | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
alprazolam | alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug. Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238) | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
am 580 | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid : An amidobenzoic acid obtained by formal condensation of the carboxy group of (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid with the anilino group of 4-aminobenzoic acid. A selective RARalpha agonist. Am 580: a selctive retinoic acid receptor (alpha) agonist; structure given in first source | amidobenzoic acid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
amifostine anhydrous | amifostine : An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy. Amifostine: A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia. | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
2-aminothiazole | 1,3-thiazol-2-amine : A primary amino compound that is 1,3-thiazole substituted by an amino group at position 2. 2-aminothiazole: RN given refers to parent cpd; structure | 1,3-thiazoles; primary amino compound | |
amiodarone | amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance. | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amitriptyline | amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5. Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines. | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amlexanox | amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. amlexanox: SRA-A antagonist;structure given in first source | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory 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 |
ampiroxicam | ampiroxicam : A benzothiazine that is the 1-[(ethoxycarbonyl)oxy]ethyl ether of piroxicam. A prodrug for piroxicam, it is used for the relief of pain and inflammation in musculoskeletal disorders such as rheumatoid arthritis and osteoarthritis. ampiroxicam: prodrug of piroxicam; structure given in first source | acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide | analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
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 |
anthralin | anthralin : An anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9. Anthralin: An anthracene derivative that disrupts MITOCHONDRIA function and structure and is used for the treatment of DERMATOSES, especially PSORIASIS. It may cause FOLLICULITIS. | anthracenes | antipsoriatic |
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | aporphine alkaloid | ||
aranidipine | aranidipine: structure given in first source | organic molecular entity | |
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 |
aurintricarboxylic acid | aurintricarboxylic acid : A member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'. Aurintricarboxylic Acid: A dye which inhibits protein biosynthesis at the initial stages. The ammonium salt (aluminon) is a reagent for the colorimetric estimation of aluminum in water, foods, and tissues. | monohydroxybenzoic acid; quinomethanes; tricarboxylic acid | fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist |
azasetron | azasetron: a selective 5-HT3 receptor antagonist; structure given in first source; | benzoxazine | |
azathioprine | azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS. Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed) | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azelastine | azelastine : A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position. azelastine: azeptin is azelastine hydrochloride; structure; eye drop formulation effective in relieving symptoms of allergic conjunctivitis; do not confuse with 5-loxin which is an extract of Boswellia | monochlorobenzenes; phthalazines; tertiary amino compound | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
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 |
azobenzene | (E)-azobenzene : The (E)-isomer of azobenzene. (Z)-azobenzene : The (Z)-isomer of azobenzene. azobenzene : A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds. azobenzene: photosensor molecule known to undergo reversible isomerization from trans to cis on illumination with photons of appropriate wavelength; RN given refers to cpd without isomeric designation; structure | azobenzenes | |
azosemide | azosemide : A sulfonamide that is benzenesulfonamide which is substituted at positions 2, 4, and 5 by chlorine, (2-thienylmethyl)amino and 1H-tetrazol-5-yl groups, respectively. It is a diuretic that has been used in the management of oedema and hypertension. | monochlorobenzenes; sulfonamide; tetrazoles; thiophenes | loop diuretic |
2,2-bis(4-glycidyloxyphenyl)propane | 2,2-bis(4-glycidyloxyphenyl)propane: structure | diarylmethane | |
benefin | benefin: structure benfluralin : A tertiany amino compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group. It is used as a pre-emergence herbicide used for the control of grass and other weeds in a range of food and non-food crops. | C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound | agrochemical; herbicide |
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 |
benzo(a)pyrene | Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
benzyl benzoate | benzyl benzoate : A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. benzyl benzoate: structure; acarosan, a moist powder composed of wetted cellulose and benzyl benzoate, is used on carpets as an acaricide | benzoate ester; benzyl ester | acaricide; plant metabolite; scabicide |
benzyl isothiocyanate | benzyl isothiocyanate: inhibits carcinogen-induced neoplasia; structure in Negwer, 5th ed, #715; also promotes urinary bladder carcinoma | benzenes; isothiocyanate | antibacterial drug |
benzylhydrochlorothiazide | benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide | ||
bepridil | bepridil : A tertiary amine in which the substituents on nitrogen are benzyl, phenyl and 3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl. Bepridil: A long-acting calcium-blocking agent with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist. | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
berberine | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker | |
benzo(b)thiophene-2-boronic acid | benzo(b)thiophene-2-boronic acid: inhibits AmpC beta-lactamase; structure in first source | ||
beta-naphthoflavone | beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308) | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
2,5-di-tert-butylhydroquinone | 2,5-di-tert-butylbenzene-1,4-diol : A member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5. | hydroquinones | |
bicalutamide | bicalutamide : A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism. bicalutamide: approved for treatment of advanced prostate cancer N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide : A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group. | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
bifemelane | bifemelane: structure given in first source | diarylmethane | |
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 | |
bisacodyl | Bisacodyl: A diphenylmethane stimulant laxative used for the treatment of CONSTIPATION and for bowel evacuation. (From Martindale, The Extra Pharmacopoeia, 30th ed, p871) | diarylmethane | |
bisindolylmaleimide i | bisindolylmaleimide I: a bis(indolyl)maleimide | ||
bithionol | bithionol : An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders. Bithionol: Halogenated anti-infective agent that is used against trematode and cestode infestations. | aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol | antifungal agrochemical; antiplatyhelmintic drug |
broxyquinoline | broxyquinoline: structure | organohalogen compound; quinolines | |
buspirone | buspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position. Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM. | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
butenafine | butenafine : Trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections. butenafine: studied on experimental dermatophytosis | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
verapamil | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine. Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent. | aromatic ether; nitrile; polyether; tertiary amino compound | |
calmidazolium | calmidazolium : An imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein. calmidazolium: powerful inhibitor of or red blood cell Ca++-ATPase & Ca++ transport into inside-out red blood cell vesicles; RN refers to chloride; structure in first source; an antagonist of calmodulin | imidazolium ion | apoptosis inducer; calmodulin antagonist |
candesartan cilexetil | candesartan cilexetil: a prodrug which is metabolized to an active form candesartan to exert its biological effects | biphenyls | |
candesartan | candesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension. candesartan: a nonpeptide angiotensin II receptor antagonist | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
cannabinol | Cannabinol: A physiologically inactive constituent of Cannabis sativa L. | dibenzopyran | |
cantharidin | furofuran | ||
carbamazepine | carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties. | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
carbofuran | Carbofuran: A cholinesterase inhibitor that is used as a systemic insecticide, an acaricide, and nematocide. (From Merck Index, 11th ed) | 1-benzofurans; carbamate ester | acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide |
carbazilquinone | Carbazilquinone: An alkylating agent structurally similar to MITOMYCIN and found to be effective in the treatment of leukemia and various other neoplasms in mice. It causes leukemia and thrombocytopenia in almost all human patients. | organic molecular entity | |
carmofur | organohalogen compound; pyrimidines | ||
carmustine | carmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group. Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed) | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
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 |
carvedilol | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent | |
carbonyl cyanide m-chlorophenyl hydrazone | Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death. | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
celecoxib | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
cetirizine | cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively. Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects. | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
cetyl alcohol | cetyl alcohol: has been used for eczema, skin irritations; RN given refers to parent cpd; structure hexadecan-1-ol : A long-chain primary fatty alcohol that is hexadecane substituted by a hydroxy group at position 1. hexadecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of sixteen carbon atoms. | hexadecanol; long-chain primary fatty alcohol | algal metabolite; flavouring agent; human metabolite; plant metabolite |
cetylpyridinium | Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges. | pyridinium ion | |
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 |
chlorambucil | chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia. Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed) | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chlordiazepoxide | chlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2. Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal. | benzodiazepine | |
chlormezanone | chlormezanone : A 1,3-thiazine that is 1,3-thiazinan-4-one S,S-dioxide in which a hydrogen at position 2 is substituted by a 4-chlorophenyl group and the hydrogen attached to the nitrogen is substituted by methyl. A non-benzodiazepine muscle relaxant, it was used in the management of anxiety and in the treatment of muscle spasms until being discontinued worldwide by its manufacturer in 1996, due to rare but serious cutaneous reactions. Chlormezanone: A non-benzodiazepine that is used in the management of anxiety. It has been suggested for use in the treatment of muscle spasm. | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
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 |
chloroxine | chloroxine : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 have been substituted by chlorine. A synthetic antibacterial prepared by chlorination of quinolin-8-ol, it is used for the treatment of dandruff and seborrhoeic dermatitis of the scalp. | monohydroxyquinoline; organochlorine compound | antibacterial agent; antifungal drug; antiseborrheic |
chloroxylenol | 4-chloro-3,5-dimethylphenol : A member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores. chloroxylenol: topical antiseptic; RN given refers to parent cpd; structure | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
chlorpheniramine | chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma. Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE. | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
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 |
chlorpropham | chlorpropham : A carbamate ester that is the isopropyl ester of 3-chlorophenylcarbamic acid. Chlorpropham: A carbamate that is used as an herbicide and as a plant growth regulator. | benzenes; carbamate ester; monochlorobenzenes | herbicide; plant growth retardant |
chlorpyrifos | chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide. | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
ci 994 | tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers. tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells | acetamides; benzamides; substituted aniline | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
cifenline | diarylmethane | ||
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 |
cimetidine | cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output. | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
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 |
cisplatin | |||
cisapride | cisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere. Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed) | benzamides | |
citalopram | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group. citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active. Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia. | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
cl 387785 | CL 387785: structure in first source N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide : A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group. | bromobenzenes; quinazolines; secondary carboxamide; ynamide | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
clebopride | clebopride: antidopaminergic; RN given refers to parent cpd; structure | piperidines | |
clenbuterol | clenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma. | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
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 |
clofilium | clofilium: RN given refers to parent cpd; structure | benzenes; organic amino compound | |
clofoctol | diarylmethane | ||
clomipramine | clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias. Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine. | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clotrimazole | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic | |
cloxyquin | cloxyquin: has antitubercular activity; structure in first source | organochlorine compound; quinolines | |
cocaine | |||
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 |
cypermethrin | cypermethrin : A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile. zeta-cypermethrin : A diastereoisomeric mixture comprising the isomeric pair (1R)-cis-(alphaS)- and (1S)-trans-(alphaR)-cypermethrin together with the isomeric pair (1S)-cis-(alphaS)- and (1S)-trans-(alphaS)-cypermethrin where the ratio between the isomeric pairs lies in the range 45:55 to 55:45. | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
cyproheptadine | cyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia. Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc. | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
dimethyl 2,3,5,6-tetrachloroterephthalate | dimethyl 2,3,5,6-tetrachloroterephthalate: structure | diester; methyl ester | |
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 |
dephostatin | dephostatin: from Streptomyces sp. MJ742-NF5; structure given in first source | ||
dequalinium | dequalinium : A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group. Dequalinium: A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration. | quinolinium ion | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
desipramine | desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group. Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors. | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
nonivamide | nonivamide : A capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays. nonivamide: has effect on sensory neurons | capsaicinoid; phenols | lachrymator |
diazepam | diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5. Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity. | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazinon | diazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4. Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide. | organic thiophosphate; pyrimidines | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic |
dichlorodiphenyl dichloroethylene | Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT. | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
ddt | 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
dichlorophen | Dichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.) | bridged diphenyl fungicide; diarylmethane | |
dichlorvos | dichlorvos : An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate. Dichlorvos: An organophosphorus insecticide that inhibits ACETYLCHOLINESTERASE. | alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide | anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
dicyclomine | dicyclomine : The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome. Dicyclomine: A muscarinic antagonist used as an antispasmodic and in urinary incontinence. It has little effect on glandular secretion or the cardiovascular system. It does have some local anesthetic properties and is used in gastrointestinal, biliary, and urinary tract spasms. | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic |
pentetic acid | Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium. | pentacarboxylic acid | copper chelator |
diphenidol | diphenidol : A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4. diphenidol: shows anti-arrhythmic activity; RN given refers to unlabeled parent cpd | benzenes; piperidines; tertiary alcohol | antiemetic |
diflunisal | diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position. Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN. | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dilacor xr | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate : A lactam that is 2,3-dihydro-1,5-benzothiazepin-4(5H)-one in which positions 2 and 3 are substituted by 4-methoxyphenyl and acetoxy, respectively, while the hydrogen attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group. | acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound | |
dimercaprol | dimercaprol : A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury. Dimercaprol: An anti-gas warfare agent that is effective against Lewisite (dichloro(2-chlorovinyl)arsine) and formerly known as British Anti-Lewisite or BAL. It acts as a chelating agent and is used in the treatment of arsenic, gold, and other heavy metal poisoning. | dithiol; primary alcohol | chelator |
fonazine | fonazine: has considerable antiemetic & serotonin antagonistic action used mainly in allergic skin conditions; minor descriptor (75-84); on-line & Index Medicus search PHENOTHIAZINES (75-84); RN given refers to parent cpd | phenothiazines | |
dinitolmide | Dinitolmide: A coccidiostat for poultry. | dinitrotoluene | |
diphenhydramine | antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug. Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects. | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
benzophenone | benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. | benzophenones | photosensitizing agent; plant metabolite |
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 |
dipyrithione | pyridinium ion | ||
disopyramide | disopyramide : A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a anti-arrhythmia drug. Disopyramide: A class I anti-arrhythmic agent (one that interferes directly with the depolarization of the cardiac membrane and thus serves as a membrane-stabilizing agent) with a depressant action on the heart similar to that of guanidine. It also possesses some anticholinergic and local anesthetic properties. | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
disulfiram | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor | |
valproic acid | valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem. Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS. | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
domperidone | domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations. Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms. | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
donepezil | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE. | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
doxazosin | doxazosin : A member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure. Doxazosin: A prazosin-related compound that is a selective alpha-1-adrenergic blocker. | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
droperidol | droperidol : An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. Droperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in conjunction with an opioid analgesic such as FENTANYL to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593) | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
e 4031 | E 4031: class III anti-arrhythmia agent; structure given in UD | sulfonamide | |
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 |
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 |
endosulfan | endosulfan : A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10. Endosulfan: A polychlorinated compound used for controlling a variety of insects. It is practically water-insoluble, but readily adheres to clay particles and persists in soil and water for several years. Its mode of action involves repetitive nerve-discharges positively correlated to increase in temperature. This compound is extremely toxic to most fish. (From Comp Biochem Physiol (C) 1993 Jul;105(3):347-61) | cyclic sulfite ester; cyclodiene organochlorine insecticide | acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant |
endothall | endothall: minor descriptor (72-82); online & Index Medicus search DICARBOXYLIC ACIDS (72-82) | ||
epinastine | epinastine : A benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine. epinastine: RN given refers parent cpd | benzazepine; guanidines | anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug |
erythrosine | Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays. | ||
etafenone | etafenone: used in therapy of anigna pectoris; RN given refers to parent cpd; synonym baxacor is HCl; structure | aromatic compound | |
ethacrynic acid | etacrynic acid : An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor. Ethacrynic Acid: A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic. | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
ethion | ethion : An organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7). ethion: minor descriptor (73-82); online & Index Medicus search INSECTICIDES, ORGANOTHIOPHOSPHATE (73-82) | organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide |
ethoxyquin | ethoxyquin : A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6. Ethoxyquin: Antioxidant; also a post-harvest dip to prevent scald on apples and pears. | aromatic ether; quinolines | antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator |
ethyl piperidinoacetylaminobenzoate | benzoate ester; piperidines | ||
etizolam | etizolam: structure given in first source | organic molecular entity | |
2-hexyloxybenzamide | 2-hexyloxybenzamide: structure | aromatic ether; benzamides | antifungal agent |
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 |
fenbendazole | fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. Fenbendazole: Antinematodal benzimidazole used in veterinary medicine. | aryl sulfide; benzimidazoles; carbamate ester | antinematodal drug |
fenipentol | fenipentol: stimulates plasma secretion & exocrine pancreatic secretion | benzenes | |
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 |
fexofenadine | fexofenadine : A piperidine-based anti-histamine compound. fexofenadine: a second generation antihistamine; metabolite of the antihistaminic drug terfenadine; structure in first source; RN refers to HCl | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
fipronil | 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile : A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively. fipronil : A racemate comprising equimolar amounts of (R)- and (S)-fipronil. fipronil: has low mammalian toxicity; structure given in first source | (trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide | |
flavoxate | flavoxate : A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol. Flavoxate: A drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist. | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic |
flecainide | flecainide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2,5-bis(2,2,2-trifluoroethoxy)benzoic acid with the primary amino group of piperidin-2-ylmethylamine. An antiarrhythmic agent used (in the form of its acetate salt) to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart). Flecainide: A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial ARRHYTHMIAS and TACHYCARDIAS. | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
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 |
flucytosine | flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections. Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent. | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
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 | |
fluorouracil | 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth. Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid. | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluoxetine | fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder. Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group. | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
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 |
fp 83 | FP 83: structure given in first source | organic molecular entity | |
fluspirilene | Fluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia. | diarylmethane | |
flutamide | Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species. | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
gemfibrozil | aromatic ether | antilipemic drug | |
gentian violet | crystal violet cation : An iminium ion that is malachite green cation in which the hydrogen at the para- psition of the monosubstituted phenyl group is replaced by a dimethylamino group. | iminium ion | antibacterial agent; antifungal agent |
glimepiride | glimepiride: structure given in first source | sulfonamide | |
glutaral | Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5. | dialdehyde | cross-linking reagent; disinfectant; fixative |
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 |
glybuzole | glybuzole: structure | organic molecular entity | |
gossypol | Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer. | ||
granisetron | aromatic amide; indazoles | ||
gw8510 | GW8510: 3' substituted indolone as a scaffold for the development of neuroprotective drug; structure in first source | ||
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 |
haloprogin | haloprogin: minor descriptor (73-86); on-line & INDEX MEDICUS search PHENYL ETHERS (73-86) | aromatic ether | |
halothane | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic | |
heptachlor | heptachlor : A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations. Heptachlor: A man-made compound previously used to control termites and other insects. Even though production of heptachlor was phased out of use in the United States during the late 1980's it remains in soil and hazardous waste sites. It is clearly toxic to animals and humans but, the International Agency for Research on Cancer (IARC) has determined that heptachlor is not classifiable as to its carcinogenicity to humans. (From ATSDR Public Heath Statement, April 1989) | cyclodiene organochlorine insecticide | agrochemical; antibacterial agent; antifungal agent; GABA-gated chloride channel antagonist; persistent organic pollutant |
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 | ||
hexylresorcinol | resorcinols | ||
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 |
homochlorocyclizine | homochlorocyclizine: RN given refers to parent cpd | diarylmethane | |
hycanthone | hycanthone : A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel. Hycanthone: Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE. | thioxanthenes | mutagen; schistosomicide drug |
hydroflumethiazide | hydroflumethiazide : A benzothiadiazine consisting of a 3,4-dihydro-HH-1,2,4-benzothiadiazine bicyclic system dioxygenated on sulfur and carrying trifluoromethyl and aminosulfonyl groups at positions 6 and 7 respectively. A diuretic with actions and uses similar to those of hydrochlorothiazide. Hydroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p822) | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
hydroxychloroquine | hydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions. Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970) | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
hypericin | |||
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 |
lidocaine | lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline. Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE. | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
idebenone | 1,4-benzoquinones; primary alcohol | antioxidant; ferroptosis inhibitor | |
ifenprodil | ifenprodil: NMDA receptor antagonist | piperidines | |
imipramine | imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group. | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
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 | ||
indole-3-carbinol | indole-3-carbinol: occurs in edible cruciferous vegetables indole-3-methanol : An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity. | indolyl alcohol | antineoplastic agent; plant metabolite |
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 |
iodixanol | iodixanol : A dimeric, non-ionic, water-soluble, radiographic contrast agent, used particularly in coronary angiography. iodixanol: dimeric contrast media; structure given in first source | organoiodine compound | radioopaque medium |
iodoacetamide | |||
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 | |
iodipamide | adipiodone : An organoiodine compound that is 3-amino-2,4,6-triiodobenzoic acid in which one of the amino hydrogens is substituted by a 6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl group. It is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. Iodipamide: A water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
avapro | irbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease. | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
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 | |
isoflurane | Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects. | organofluorine compound | inhalation anaesthetic |
propyphenazone | propyphenazone : A pyrazolone derivative that is antipyrine substituted at C-4 by an isopropyl group. propyphenazone: structure | pyrazolone | non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
itraconazole | piperazines | ||
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone | ZM39923: structure in first source | naphthalenes | |
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 |
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 |
ketoconazole | 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively. | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
khellin | khellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator. Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024) | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
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 |
lamotrigine | 1,2,4-triazines; dichlorobenzene; primary arylamine | anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic | |
lansoprazole | Lansoprazole: A 2,2,2-trifluoroethoxypyridyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. Lansoprazole is a racemic mixture of (R)- and (S)-isomers. | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
lapachol | lapachol : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae. | ||
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 | ||
lidoflazine | Lidoflazine: Coronary vasodilator with some antiarrhythmic action. | diarylmethane | |
liranaftate | piritetrate: structure given in first source | tetralins | |
lomefloxacin | lomefloxacin : A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery. lomefloxacin: structure given in first source | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic | antimicrobial agent; antitubercular agent; photosensitizing agent |
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 |
loratadine | loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders. Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness. | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor 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 |
ly 303511 | LY 303511: inhibitor of phosphatidylinositol 3-kinase | N-arylpiperazine | |
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 |
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide: structure in first source 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-(dimethylamino)benzoic acid with the amino group of 7-amino-N-hydroxyheptanamide. It is a potent inhibitor of histone deacetylases and induces cell cycle arrest and apoptosis in several human cancer cell lines. | benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
malathion | diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites. Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes. | diester; ethyl ester; organic thiophosphate | |
mebendazole | mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES. | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
meclofenamate sodium anhydrous | organic sodium salt | ||
medazepam | Medazepam: A benzodiazepine derivative used in the treatment of anxiety. It has sedative, muscle relaxant, and anticonvulsant properties. One of its metabolites is DIAZEPAM and one of its excretion products is OXAZEPAM. | organic molecular entity | |
mefloquine hydrochloride | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4. | organofluorine compound; piperidines; quinolines; secondary alcohol | |
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 |
meperidine | Meperidine: A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration. pethidine : A piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain. | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
mepivacaine | mepivacaine : A piperidinecarboxamide in which N-methylpipecolic acid and 2,6-dimethylaniline have combined to form the amide bond. It is used as a local amide-type anaesthetic. Mepivacaine: A local anesthetic that is chemically related to BUPIVACAINE but pharmacologically related to LIDOCAINE. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168) | piperidinecarboxamide | drug allergen; local anaesthetic |
mequitazine | mequitazine: RN given refers to parent cpd without isomeric designation; structure | phenothiazines | |
mesalamine | mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position. Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed) | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
mesoridazine | mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group. Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE. | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
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 | |
methazolamide | Methazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma. | sulfonamide; thiadiazoles | |
methenamine | hexamethylenetetramine : A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. Methenamine: An anti-infective agent most commonly used in the treatment of urinary tract infections. Its anti-infective action derives from the slow release of formaldehyde by hydrolysis at acidic pH. (From Martindale, The Extra Pharmacopoeia, 30th ed, p173) | polyazaalkane; polycyclic cage; tetramine | antibacterial drug |
methiothepin | methiothepin : A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively). Methiothepin: A serotonin receptor antagonist in the CENTRAL NERVOUS SYSTEM used as an antipsychotic. | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
methoctramine | aromatic ether; tetramine | muscarinic antagonist | |
methoxychlor | Methoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects. | organochlorine insecticide | |
nocodazole | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator | |
methyl parathion | Methyl Parathion: The methyl homolog of parathion. An effective, but highly toxic, organothiophosphate insecticide and cholinesterase inhibitor. parathion-methyl : A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4. | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin |
methyl methanesulfonate | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen | |
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 |
mexiletine | mexiletine : An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol. Mexiletine: Antiarrhythmic agent pharmacologically similar to LIDOCAINE. It may have some anticonvulsant properties. | aromatic ether; primary amino compound | anti-arrhythmia drug |
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 | |
milrinone | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent | |
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 |
mitotane | Mitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression. | diarylmethane | |
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 |
moclobemide | moclobemide : A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression. Moclobemide: A reversible inhibitor of monoamine oxidase type A; (RIMA); (see MONOAMINE OXIDASE INHIBITORS) that has antidepressive properties. | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
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 | |
entinostat | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor | |
deet | N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide. | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
acecainide | Acecainide: A major metabolite of PROCAINAMIDE. Its anti-arrhythmic action may cause cardiac toxicity in kidney failure. N-acetylprocainamide : A benzamide obtained via formal condensation of 4-acetamidobenzoic acid and 2-(diethylamino)ethylamine. | acetamides; benzamides | anti-arrhythmia drug |
way 151693 | |||
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 |
naftopidil | piperazines | ||
naled | naled : An dialkyl phosphate resulting from the formal condensation of the acidic hydroxy group of dimethyl hydrogen phosphate with the alcoholic hydroxy group of 1,2-dibromo-2,2-dichloroethanol. An organophosphate insecticide, it is no longer approved for use within the European Union. Naled: An organophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide. | dialkyl phosphate; organobromine compound; organochlorine compound; organophosphate insecticide | acaricide; agrochemical; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
nialamide | Nialamide: An MAO inhibitor that is used as an antidepressive agent. | organonitrogen compound; organooxygen compound | |
nicardipine | 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine substituted by a methyl, {2-[benzyl(methyl)amino]ethoxy}carbonyl, 3-nitrophenyl, methoxycarbonyl and methyl groups at positions 2, 3, 4, 5 and 6, respectively. nicardipine : A racemate comprising equimolar amounts of (R)- and (S)-nicardipine. It is a calcium channel blocker which is used to treat hypertension. Nicardipine: A potent calcium channel blockader with marked vasodilator action. It has antihypertensive properties and is effective in the treatment of angina and coronary spasms without showing cardiodepressant effects. It has also been used in the treatment of asthma and enhances the action of specific antineoplastic agents. | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
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 |
nifedipine | Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure. | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nifekalant | amine | ||
nifenazone | nifenazone: RN given refers to parent cpd; structure | pyrazoles; ring assembly | |
niflumic acid | Niflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis. | aromatic carboxylic acid; pyridines | |
nilutamide | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent | |
nimetazepam | nimetazepam : A nitrazepam which is substituted at positions 1 by a methyl group. It is used as an anticonvulsant and as a hypnotic for the short-term management of insomnia. | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; GABA modulator; sedative |
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 | |
nisoxetine | nisoxetine : A secondary amino compound that is N-methyl-3-phenylpropan-1-amine substituted at position 3 by a 2-methoxyphenoxy group. nisoxetine: potent inhibitor for norepinephrine uptake into rat brain synaptosomes & brain; NM refers to (+-)-isomer; RN given refers to parent cpd; structure | aromatic ether; secondary amino compound | adrenergic uptake inhibitor; antidepressant |
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 |
nomifensine | nomifensine : An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively. Nomifensine: An isoquinoline derivative that prevents dopamine reuptake into synaptosomes. The maleate was formerly used in the treatment of depression. It was withdrawn worldwide in 1986 due to the risk of acute hemolytic anemia with intravascular hemolysis resulting from its use. In some cases, renal failure also developed. (From Martindale, The Extra Pharmacopoeia, 30th ed, p266) | isoquinolines | dopamine uptake inhibitor |
masoprocol | nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata) | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
norfluoxetine | norfluoxetine: metabolite of fluoxetine; RN given refers to parent cpd without isomeric designation | (trifluoromethyl)benzenes | |
nu6102 | NU6102: structure in first source | ||
nylidrin | Nylidrin: A beta-adrenergic agonist. Nylidrin causes peripheral vasodilation, a positive inotropic effect, and increased gastric volume of gastric juice. It is used in the treatment of peripheral vascular disorders and premature labor. | alkylbenzene | |
ofloxacin | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION. | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
omeprazole | 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole. Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
ondansetron | Ondansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties. | carbazoles | |
orphenadrine | orphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol. Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm. | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
oxaprozin | oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis. Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE. | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
oxibendazole | oxibendazole: structure | benzimidazoles; carbamate ester | |
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 |
pd168393 | PD 168393 : A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively. | acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline | epidermal growth factor receptor antagonist |
pd 169316 | 2-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole: p38 MAP kinase inhibitor | imidazoles | |
pentamidine | pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects. | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
pentobarbital | pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236) | barbiturates | GABAA receptor agonist |
pentoxifylline | oxopurine | ||
perhexiline | Perhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis. | piperidines | cardiovascular drug |
periciazine | periciazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-(4-hydroxypiperidin-1-yl)propyl group at the nitrogen atom and a carbonitrile group at position 2. Periciazine is a first generation antipsychotic. periciazine: was heading 1963-94 (Prov 1963-72); use PHENOTHIAZINES to search PROPERICIAZINE 1966-94 | hydroxypiperidine; nitrile; phenothiazines | adrenergic antagonist; first generation antipsychotic; sedative |
perphenazine | perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10. Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE. | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenobarbital | phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations. | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phenolphthalein | Phenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic. | phenols | |
phenothrin | phenothrin: RN given refers to cpd without isomeric designation; structure | cyclopropanecarboxylate ester | pyrethroid ester insecticide |
phenoxybenzamine | Phenoxybenzamine: An alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator. | aromatic amine | |
4-phenylbutyric acid | 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation. 4-phenylbutyric acid: RN refers to the parent cpd | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
oxophenylarsine | oxophenylarsine: inhibits protein-tyrosine-phosphatase phenylarsine oxide : An arsine oxide derived from phenylarsine. | arsine oxides | antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
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 | |
phosalone | phosalone : A member of the class of 1,3-benzoxazoles carrying a [(diethoxyphosphorothioyl)sulfanyl]methyl group at the nitrogen atom, an oxo group at position 2 and a chloro group at position 6. It is an organothiophosphate insecticide. phosalone: structure | 1,3-benzoxazoles; carbamate ester; organochlorine insecticide; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
o-phthalaldehyde | o-Phthalaldehyde: A reagent that forms fluorescent conjugation products with primary amines. It is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids. phthalaldehyde : A dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. | benzaldehydes; dialdehyde | epitope |
pilsicainide | pilsicainide : A secondary carboxamide resulting from the formal condensation of the amino group of 2,6-dimethylaniline with the carboxy group of (tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetic acid. It is a sodium channel blocker which is used as an antiarrhythmic drug for the management of atrial tachyarrhythmias in Japan. pilsicainide: structure given in first source | organic heterobicyclic compound; secondary carboxamide | anti-arrhythmia drug; sodium channel blocker |
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 |
piperazine | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug | |
pipobroman | pipobroman : An N-acylpiperazine that is piperazine in which each of the nitrogens has been acylated by a 3-bromopropionoyl group. An anti-cancer drug. Pipobroman: An antineoplastic agent that acts by alkylation. | N-acylpiperazine; organobromine compound; tertiary carboxamide | alkylating agent; antineoplastic agent |
piracetam | Piracetam: A compound suggested to be both a nootropic and a neuroprotective agent. | organonitrogen compound; organooxygen compound | |
pomiferin | pomiferin: structure in first source | isoflavanones | |
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 | ||
ono 1078 | pranlukast: SRS-A antagonist; leukotriene D4 receptor antagonist | chromones | |
pyranoprofen | pyranoprofen: RN given refers to unlabled parent cpd; structure given in first source | pyridochromene | |
prazepam | Prazepam: A benzodiazepine that is used in the treatment of ANXIETY DISORDERS. | benzodiazepine | |
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 |
procainamide | procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE. | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
prochlorperazine | prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position. Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612) | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
proglumetacin | proglumetacin : A carboxylic ester obtained by formal condensation of the carboxy group of indometacin with the hydroxy group of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl N(2)-benzoyl-N,N-dipropyl-alpha-glutaminate. Used (as its dimaleate salt) to control pain and inflammation associated with musculoskeletal and joint disorders. Following oral administration, it is metabolised to indometacin and proglumide, a drug with antisecretory effects that helps prevent injury to the stomach lining. | aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
promazine | promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position. Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic. | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
promethazine | promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety. Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals. | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
prometone | prometon : A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which the one of the hydrogens of each amino group is substituted by an isopropyl group. prometone: structure | diamino-1,3,5-triazine; methoxy-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
prometryne | prometryn : A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methylsulfanediyl group at position 6. Prometryne: A triazine used as a selective pre- and post-emergence herbicide. (From Merck Index, 11th ed) | diamino-1,3,5-triazine; methylthio-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
propachlor | propachlor : An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent. propachlor: structure | anilide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
propafenone | propafenone : An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias. Propafenone: An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity. | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
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 |
propargite | Omite: structure | sulfite ester; terminal acetylenic compound | sulfite ester acaricide |
propazine | propazine : A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. propazine: relatively non-toxic triazine herbicide; minor descriptor (75-82); online & Index Medicus search TRIAZINES (75-82) | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
propofol | propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS. | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
propoxur | propoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group. Propoxur: A carbamate insecticide. | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
propranolol | propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs. | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
propyl gallate | Propyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils. | trihydroxybenzoic acid | |
pyrilamine | mepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group. Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies. | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
pyrimethamine | Maloprim: contains above 2 cpds | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
pyroxamide | aromatic amide | ||
quetiapine | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist | |
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | indoles | ||
raloxifene | raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
resmethrin | resmethrin: synthetic pyrethroid insecticide used against a variety of insects; online & Index Medicus search PYRETHRUMS (75-76), PYRETHRINS (77-82); Scourge is tradename | cyclopropanecarboxylate ester; furans | agrochemical; pyrethroid ester insecticide |
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 |
ritanserin | ritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action. Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure. | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | 4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone: Inhibitor of phosphodiesterases. | methoxybenzenes | |
rolipram | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor | |
ronidazole | ronidazole : A carbamate ester that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by methyl and (carbamoyloxy)methyl groups, respectively. An antiprotozoal agent, it is used in veterinary medicine for the treatment of histomoniasis and swine dysentery. Ronidazole: Antiprotozoal and antimicrobial agent used mainly in veterinary practice. | C-nitro compound; carbamate ester; imidazoles | antiparasitic agent; antiprotozoal drug |
aurin | aurin: structure | diarylmethane | |
saccharin | saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. Saccharin: Flavoring agent and non-nutritive sweetener. | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
salicylamide | salamide: a major impurity of hydrochlorothiazide; structure in first source | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
salmeterol xinafoate | 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol : A phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine. salmeterol : A racemate consisting of equal parts of (R)- and (S)-salmeterol. It is a potent and selective beta2-adrenoceptor agonist (EC50 = 5.3 nM). Unlike other beta2 agonists, it binds to the exo-site domain of beta2 receptors, producing a slow onset of action and prolonged activation. | ether; phenols; primary alcohol; secondary alcohol; secondary amino compound | |
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 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 |
suberoyl bis-hydroxamic acid | suberoyl bis-hydroxamic acid: antineoplastic, Histone Deacetylase inhibitor | hydroxamic acid | |
scriptaid | scriptide: provokes translocation of GLUT4 to increase glucose uptake; structure in first source | isoquinolines | |
sobuzoxane | sobuzoxane: used in treatment of leukemia L1210 | organic molecular entity | |
4-phenylbutyric acid, sodium salt | sodium phenylbutyrate : The organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders. | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug |
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 |
fenofibrate | benzochromenone; delta-lactone; naphtho-alpha-pyrone | platelet aggregation inhibitor; Sir2 inhibitor | |
ACar 18-0 | O-acylcarnitine | ||
imatinib | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor | |
vorinostat | vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME. | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulfanilamide | substituted aniline; sulfonamide; sulfonamide antibiotic | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor | |
sulfasalazine | sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position. Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907) | ||
sulfisoxazole | sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms. | isoxazoles; sulfonamide; sulfonamide antibiotic | antibacterial drug; drug allergen |
sulforaphane | sulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. sulforaphane: from Cardaria draba L. | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
suprofen | suprofen : An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group. Suprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic. | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system 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 |
tazarotene | tazarotene : The ethyl ester of tazarotenic acid. A prodrug for tazarotenic acid, it is used for the treatment of psoriasis, acne, and sun-damaged skin. tazarotene: a topical acetylenic retinoid; a topical kerytolytic | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
temefos | Temefos: An organothiophosphate insecticide. temephos : An organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group. | organic sulfide; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; ectoparasiticide |
terazosin | Terazosin: induces decreased blood pressure; used in the treatment of benign prostatic hyperplasia | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
terfenadine | Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME. | diarylmethane | |
tetrahydroxy-1,4-quinone | tetrahydroxy-1,4-benzoquinone : A hydroxybenzoquinone in which all four protons of the benzoquinone structure are substituted by hydroxy groups. A systemic keratolytic, it is normally supplied as its hydrate (CHEBI:137471). tetrahydroxy-1,4-quinone: structure | hydroxybenzoquinone | keratolytic drug |
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 |
thiotepa | Thiotepa: A very toxic alkylating antineoplastic agent also used as an insect sterilant. It causes skin, gastrointestinal, CNS, and bone marrow damage. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), thiotepa may reasonably be anticipated to be a carcinogen (Merck Index, 11th ed). | aziridines | |
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 |
tiaprofenic acid | tiaprofenic acid : An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group. tiaprofenic acid: RN given refers to parent cpd; structure | aromatic ketone; monocarboxylic acid; thiophenes | drug allergen; non-steroidal anti-inflammatory drug |
tilorone | tilorone : A member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug. Tilorone: An antiviral agent used as its hydrochloride. It is the first recognized synthetic, low-molecular-weight compound that is an orally active interferon inducer, and is also reported to have antineoplastic and anti-inflammatory actions. | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
tinoridine | tinoridine: proposed anti-inflammatory agent; minor descriptor (75-86); on-line & INDEX MEDICUS seach PYRIDINES (75-86) | thienopyridine | |
tioconazole | 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that comprises 2-(2,4-dichlorophenyl)ethylimidazole carrying an additional (2-chloro-3-thienyl)methoxy substituent at position 2. tioconazole : A racemate comprising equimolar amounts of (R)- and (S)-tioconazole. | dichlorobenzene; ether; imidazoles; thiophenes | |
tipepidine | tipepidine: RN given refers to parent cpd | piperidines | |
tolazamide | tolazamide : An N-sulfonylurea that is 1-tosylurea in which a hydrogen attached to the nitrogen at position 3 is replaced by an azepan-1-yl group. A hypoglycemic agent, it is used for the treatment of type 2 diabetes mellitus. Tolazamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolnaftate | monothiocarbamic ester | antifungal drug | |
triamterene | triamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema. Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. | pteridines | diuretic; sodium channel blocker |
bromoform | bromoform: structure | bromohydrocarbon; bromomethanes | |
2,2',2''-trichlorotriethylamine | 2,2',2''-trichlorotriethylamine: RN given refers to parent cpd; structure | ||
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 | |
trifluralin | trifluralin : A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide. Trifluralin: A microtubule-disrupting pre-emergence herbicide. | (trifluoromethyl)benzenes; C-nitro compound; substituted aniline | agrochemical; environmental contaminant; herbicide; xenobiotic |
trimethadione | trimethadione : An oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by methyl groups at positions 3, 5 and 5. It is an antiepileptic agent. Trimethadione: An anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378) | oxazolidinone | anticonvulsant; geroprotector |
trimethoprim | trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported. | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
octoxynol | Triton X-100 : A poly(ethylene glycol) derivative that is poly(ethylene glycol) in which one of the terminal hydroxy groups has been converted into the corresponding p-(2,4,4-trimethylpentan-3-yl)phenyl ether. | alkylbenzene | |
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 | |
undecylenic acid | 10-undecenoic acid : An undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems. undecenoic acid : A C11, straight-chain fatty acid carrying a C=C double bond at any position. undecylenic acid: a fatty acid with a terminal double bond | undecenoic acid | antifungal drug; plant metabolite |
urethane | carbamate ester | fungal metabolite; mutagen | |
vesnarinone | organic molecular entity | ||
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 |
zm 336372 | N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first source | benzamides | |
zonisamide | zonisamide : A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position. Zonisamide: A benzisoxazole and sulfonamide derivative that acts as a CALCIUM CHANNEL blocker. It is used primarily as an adjunctive antiepileptic agent for the treatment of PARTIAL SEIZURES, with or without secondary generalization. | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
zotepine | zotepine: structure | dibenzothiepine; tertiary amino compound | alpha-adrenergic drug; second generation antipsychotic; serotonergic drug |
mitomycin | mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae. Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis. | mitomycin | alkylating agent; antineoplastic agent |
oxyphenonium bromide | |||
prednisolone | prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states. | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
estriol | chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl. hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
reserpine | reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use. | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
phentolamine | phentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension. Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease. | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
2,4-dichlorobenzoic acid | 2,4-dichlorobenzoic acid : A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups. 2,4-dichlorobenzoic acid: structure given in first source | chlorobenzoic acid; dichlorobenzene | bacterial metabolite |
floxuridine | floxuridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. Floxuridine: An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection; when administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
piperonyl butoxide | benzodioxoles | pesticide synergist | |
2-aminophenol | aminophenol | bacterial metabolite | |
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. | ||
3,3',5-triiodothyropropionic acid | aromatic ether | ||
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 |
spironolactone | spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7. Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827) | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
lynestrenol | Lynestrenol: A synthetic progestational hormone used often in mixtures with estrogens as an oral contraceptive (CONTRACEPTIVES, ORAL). | steroid | |
famophos | famophos: structure | organic thiophosphate; organothiophosphate insecticide | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
prednisone | prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid. Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver. | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
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 |
fluprednisolone | Fluprednisolone: A synthetic glucocorticoid with anti-inflammatory properties. | fluorinated steroid | |
oxandrolone | Oxandrolone: A synthetic hormone with anabolic and androgenic properties. | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid | anabolic agent; androgen |
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 |
methantheline bromide | xanthenes | ||
promazine hydrochloride | hydrochloride | ||
1,2,5,6-dibenzanthracene | 1,2,5,6-dibenzanthracene: RN given refers to parent cpd | ortho-fused polycyclic arene | mutagen |
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. | ||
azauridine | Azauridine: A triazine nucleoside used as an antineoplastic antimetabolite. It interferes with pyrimidine biosynthesis thereby preventing formation of cellular nucleic acids. As the triacetate, it is also effective as an antipsoriatic. | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
pentylenetetrazole | pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis. Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility. | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
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 |
methyldimethylaminoazobenzene | 3-methyl-4'-dimethylaminoazobenzene : A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen. Methyldimethylaminoazobenzene: A very potent liver carcinogen. | ||
mechlorethamine hydrochloride | mechlorethamine hydrochloride : The hydrochloride salt of mechlorethamine. | hydrochloride | antineoplastic agent |
tetraethylammonium chloride | tetraethylammonium chloride : A quarternary ammonium chloride salt in which the cation has four ethyl substituents around the central nitrogen. | organic chloride salt; quaternary ammonium salt | potassium channel blocker |
benz(a)anthracene | benz(a)anthracene: 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES tetraphene : An angular ortho-fused polycyclic arene consisting of four fused benzene rings. | ortho-fused polycyclic arene; tetraphenes | |
chloramphenicol | Amphenicol: Chloramphenicol and its derivatives. | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
cetrimonium bromide | cetyltrimethylammonium bromide : The organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide. | organic bromide salt; quaternary ammonium salt | detergent; surfactant |
chlorobutanol | tertiary alcohol | ||
vincristine | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator | |
sulfamic acid | sulfamic acid : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms. sulfamic acid: standard in alkalimetry; RN given refers to parent cpd; structure | sulfamic acids | |
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 |
chlordan | Chlordan: A highly poisonous organochlorine insecticide. The EPA has cancelled registrations of pesticides containing this compound with the exception of its use through subsurface ground insertion for termite control and the dipping of roots or tops of non-food plants. (From Merck Index, 11th ed) | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist; persistent organic pollutant |
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 | |
9,10-dimethyl-1,2-benzanthracene | 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen. | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
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 | |
pyridoxine hydrochloride | pyridoxine hydrochloride : The hydrochloride salt of pyridoxine. | hydrochloride; vitamin B6 | |
triphenylethylene | stilbenoid | ||
2,3,4,6-tetrachlorophenol | 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified | tetrachlorophenol | xenobiotic metabolite |
n-nitrosomorpholine | N-nitrosomorpholine : A nitrosamine that is morpholine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. A carcinogen and mutagen, it is found in snuff tobacco. | nitrosamine | carcinogenic agent; mutagen |
edetic acid | Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
p-aminoazobenzene | 4-(phenylazo)aniline : Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen. p-Aminoazobenzene: Used in the form of its salts as a dye and as an intermediate in manufacture of Acid Yellow, diazo dyes, and indulines. | ||
p-dimethylaminoazobenzene | p-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed) | azobenzenes | |
mepazine | mepazine: major descriptor (66-85); on-line search PHENOTHIAZINES (66-85); Index Medicus search MEPAZINE (66-85); RN given refers to parent cpd pacatal : A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position. | phenothiazines | |
papaverine hydrochloride | |||
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 |
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 |
carbaryl | carbaryl : A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid. Carbaryl: A carbamate insecticide and parasiticide. It is a potent anticholinesterase agent belonging to the carbamate group of reversible cholinesterase inhibitors. It has a particularly low toxicity from dermal absorption and is used for control of head lice in some countries. | carbamate ester; naphthalenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant |
primaquine phosphate | |||
diethyl sulfate | diethyl sulfate : The diethyl ester of sulfuric acid. diethyl sulfate: RN given refers to parent cpd; structure | alkyl sulfate | alkylating agent; apoptosis inducer; carcinogenic agent; mutagen |
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 |
uracil mustard | Uracil Mustard: Nitrogen mustard derivative of URACIL. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage. | aminouracil; nitrogen mustard | |
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 |
ficusin | Ficusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking. psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. | psoralens | plant metabolite |
thiamine hydrochloride | thiamine hydrochloride : A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid. | hydrochloride; vitamin B1 | insect repellent |
chloroform | chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity. | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
fluocinolone acetonide | fluocinolone acetonide : A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders. Fluocinolone Acetonide: A glucocorticoid derivative used topically in the treatment of various skin disorders. It is usually employed as a cream, gel, lotion, or ointment. It has also been used topically in the treatment of inflammatory eye, ear, and nose disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732) | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
triamcinolone diacetate | triamcinolone diacetate: lysyl oxidase antagonist; Polcortolon may also refers to triamcinolone | corticosteroid hormone | |
gliotoxin | gliotoxin : A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. Gliotoxin: A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent. | dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole | antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor |
dimethylformamide | Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
benziodarone | benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74) | aromatic ketone | |
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 | |
cytarabine hydrochloride | |||
cytarabine | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent | |
trifluridine | trifluridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-trifluoromethyluracil as the nucleobase. An antiviral drug used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis. Trifluridine: An antiviral derivative of THYMIDINE used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis due to HERPES SIMPLEX virus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p557) | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
dinitrofluorobenzene | 1-fluoro-2,4-dinitrobenzene : The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions. Dinitrofluorobenzene: Irritants and reagents for labeling terminal amino acid groups. | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
medroxyprogesterone acetate | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive | |
sulfobromophthalein sodium | bromosulfophthalein : An organosulfonic acid that consists of phthalide bearing four bromo substituents at positions 4, 5, 6 and 7 as well as two 4-hydroxy-3-sulfophenyl groups both located at position 1. bromosulfophthalein sodium : An organic sodium salt that is the disodium salt of bromosulfophthalein. | organic sodium salt | dye |
alizarin | dihydroxyanthraquinone | chromophore; dye; plant metabolite | |
dichlorodiphenyldichloroethane | Dichlorodiphenyldichloroethane: An organochlorine insecticide that is slightly irritating to the skin. (From Merck Index, 11th ed, p482) | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
trypan blue | VisionBlue: A trypan blue ophthalmic solution. | ||
methandrostenolone | Methandrostenolone: A synthetic steroid with anabolic properties that are more pronounced than its androgenic effects. It has little progestational activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1188) | organic molecular entity | |
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 |
4-chlorobenzoic acid | 4-chlorobenzoic acid : A monochlorobenzoic acid carrying a chloro substituent at position 4. 4-chlorobenzoic acid: RN given refers to parent cpd | monochlorobenzoic acid | bacterial xenobiotic metabolite |
n,n'-diphenyl-4-phenylenediamine | N,N'-diphenyl-1,4-phenylenediamine : An N-substituted diamine that is 1,4-phenylenediamine in which one hydrogen from each amino group is replaced by a phenyl group. N,N'-diphenyl-4-phenylenediamine: in veterinary medicine, has been used to prevent vitamin E deficiency in lambs; structure | N-substituted diamine; secondary amino compound | antioxidant |
systhane | 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile : A nitrile that is hexanenitrile substituted at the 2-position by p-chlorophenyl and (1,2,4-triazol-1-yl)methyl groups. systhane: structure in first source | monochlorobenzenes; nitrile; triazoles | |
trimethylchlorosilane | chlorotrimethylsilane : A silyl chloride consisting of a central silicon atom covalently bound to one chloro and three methyl groups. Chlorotrimethylsilane is a derivatisation agent used in gas chromatography/mass spectrometry applications. trimethylsilyl chloride: structure in first source | silyl chloride | chromatographic reagent |
tert-butylhydroperoxide | tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes. tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules. | alkyl hydroperoxide | antibacterial agent; oxidising agent |
dalapon | dalapon: RN given refers to parent cpd; structure | carboxylic acid; organohalogen compound | |
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 |
fluoxymesterone | Fluoxymesterone: An anabolic steroid that has been used in the treatment of male HYPOGONADISM, delayed puberty in males, and in the treatment of breast neoplasms in women. | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid | anabolic agent; antineoplastic agent |
gibberellic acid | gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
hexachlorocyclopentadiene | |||
dicyclopentadiene | cyclic olefin | ||
pentaerythritol tetranitrate | pentaerythritol tetranitrate : A pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to those of glyceryl trinitrate, but with a more prolonged duration of action, and is used for treatment of angina pectoris. It is also one of the most powerful high explosives known and is a component of the plastic explosive known as Semtex. Pentaerythritol Tetranitrate: A vasodilator with general properties similar to NITROGLYCERIN but with a more prolonged duration of action. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1025) | pentaerythritol nitrate | explosive; vasodilator agent |
tri-o-cresyl phosphate | tri-o-cresyl phosphate: see also related IMOL S-140 | ||
triparanol | Triparanol: Antilipemic agent with high ophthalmic toxicity. According to Merck Index, 11th ed, the compound was withdrawn from the market in 1962 because of its association with the formation of irreversible cataracts. | stilbenoid | anticoronaviral agent |
tris(2-ethylhexyl)phosphate | trialkyl phosphate | ||
tris(2-butoxyethyl) phosphate | tris(2-butoxyethyl) phosphate : A trialkyl phosphate in which the alkyl group specified is 2-butoxyethyl. tris(2-butoxyethyl) phosphate: inhibitor of drug-protein binding; present in stoppers of blood sample 'vacutainers' | trialkyl phosphate | environmental contaminant; flame retardant |
1,2-diaminopropane | 1,2-diaminopropane: RN given for parent cpd without isomeric designation propylenediamine : A diamine that is propane substituted by amino groups at positions 1 and 2. Propylenediamine is commonly used as a bidentate ligand in the formation of coordination complexes. | diamine | ligand |
chloroacetone | alpha-chloroketone | ||
acrylamide | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin | |
dichloroacetic acid | monocarboxylic acid; organochlorine compound | astringent; marine metabolite | |
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 | |
tetrachlorodian | tetrachlorodian: used in the manufacture of synthetic resins | bisphenol | |
3,3'-Dimethylbisphenol A | bisphenol | ||
bisphenol a | 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
chlorfenethol | chlorfenethol: structure | diarylmethane | |
bis(4-hydroxyphenyl)sulfone | 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups. bis(4-hydroxyphenyl)sulfone: structure and RN in first source | bisphenol; sulfone | endocrine disruptor; metabolite |
ovex | ovex: structure | arenesulfonic acid | |
dicumyl peroxide | |||
p-tert-amylphenol | p-tert-amylphenol: RN given refers to parent cpd | alkylbenzene | |
dehydrocholic acid | 3,7,12-trioxo-5beta-cholanic acid : An oxo-5beta-cholanic acid in which three oxo substituents are located at positions 3, 7 and 12 on the cholanic acid skeleton. Dehydrocholic Acid: A semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid. | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
1-amino-2-methylanthraquinone | anthraquinone | ||
diphenadione | diphenadione: major descriptor (66-86); on-line search PHENINDIONE (66-74); PHENINDIONE/AA (75-86); INDEX MEDICUS search DIPHENADIONE (66-86); RN given refers to parent cpd | beta-triketone; diarylmethane | |
acenaphthenequinone | acenaphthoquinone : An orthoquinone that is the 1,2-dioxo derivative of acenaphthene. | orthoquinones | chain carrier; epitope |
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 |
pindone | pindone: RN given refers to parent cpd; structure | beta-triketone; indanones | |
rotenone | Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
phanquinone | phanquinone: structure phanquone : An orthoquinone that is the 5,6-diketo derivative of 4,7-phenanthroline. | orthoquinones | |
syrosingopine | syrosingopine: was heading 1963-94; SYRINGOPINE was see SYROSINGOPINE 1977-94; use RESERPINE to search SYROSINGOPINE 1966-94 | yohimban alkaloid | |
dicyclohexyl phthalate | diester; phthalate ester | ||
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 |
di-n-hexyl phthalate | 2-hydroxyisophthalic acid | ||
benzo(f)quinoline | |||
santowhite powder | 4,4'-butylidenebis(6-tert-butyl-m-cresol): putatively both an androgen and estrogen antagonist; structure in first source | ||
brompheniramine | brompheniramine : Pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis. Brompheniramine: Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria. | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
n-nitrosodiphenylamine | N-nitrosodiphenylamine: RN given refers to parent cpd; structure in first source | phenylhydrazines | |
phensuximide | phensuximide: major descriptor (73-84); on-line search SUCCINIMIDES (73-84); Index Medicus search PHENSUXIMIDE (73-84); RN given refers to cpd without isomeric designation | pyrrolidines | |
dimoxyline | quinolines | ||
1-naphthaleneacetic acid | 1-naphthaleneacetic acid : A naphthylacetic acid substituted by a carboxymethyl group at position 1. 1-naphthaleneacetic acid: a plant growth regulator; RN given refers to parent cpd naphthylacetic acid : A monocarboxylic acid that is naphthalene substituted by a carboxymethyl group at any position. | naphthylacetic acid | synthetic auxin |
7-amino-4-hydroxy-2-naphthalenesulfonic acid | 7-amino-4-hydroxy-2-naphthalenesulfonic acid : An aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. 7-amino-4-hydroxy-2-naphthalenesulfonic acid: structure given in first source | aminonaphthalenesulfonic acid; naphthols | metabolite |
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 | |
2,4,6-trichlorophenol | trichlorophenol | carcinogenic agent | |
n-vinyl-2-pyrrolidinone | N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source | pyrrolidin-2-ones | |
2-tert-butylphenol | alkylbenzene | ||
2-toluenesulfonamide | 2-toluenesulfonamide: saccharin impurity; starting material for preparation of saccharin; structure | ||
2,2'-methylenebis(ethyl-6-tert-butylphenol) | |||
3-trifluoromethyl-4-nitrophenol | 3-trifluoromethyl-4-nitrophenol: sea lamprey larvicide | ||
dinoseb | 2-(butan-2-yl)-4,6-dinitrophenol : A dinitrophenol that is 2,4-dinitrophenol substituted by a butan-2-yl group at position 2. dinoseb : A racemate composed of equimolar amounts of (R)- and (S)-dinoseb. dinoseb: RN given refers to parent cpd; structure | dinitrophenol | |
2-sec-butylphenol | 2-sec-butylphenol : A member of the class of phenols that is phenol carrying a butan-2-yl group at position 2. 2-sec-butylphenol: RN given refers to parent cpd | phenols | |
thymol | thymol : A phenol that is a natural monoterpene derivative of cymene. Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent. | monoterpenoid; phenols | volatile oil component |
2-anisidine | 2-anisidine: RN given refers to parent cpd; structure o-anisidine : A substituted aniline that is aniline in which the hydrogen ortho to the amino group has been replaced by a methoxy group. It is used as a chemical intermediate in the synthesis of azo pigments and dyes. | monomethoxybenzene; primary amino compound; substituted aniline | genotoxin; reagent |
1-naphthylphenylamine | N-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structure | naphthalenes | |
2-phenylphenol | 2-phenylphenol: RN given refers to parent cpd; structure biphenyl-2-ol : A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits. | hydroxybiphenyls | antifungal agrochemical; environmental food contaminant |
michler's ketone | benzophenones | ||
quinoline | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | ||
uvitex swn | Uvitex SWN: optical brightner from Ciba; structure | 7-aminocoumarins | fluorochrome |
3,3'-dichlorobenzidine | 3,3'-Dichlorobenzidine: A material used in the manufacture of azo dyes that is toxic to skin and carcinogenic in several species. | biphenyls; monochlorobenzenes; organochlorine compound | |
3,3'-diaminobenzidine | 3,3'-diaminobenzidine : A member of the class of biphenyls that is benzidine in which one of the hydrogens ortho to each of the amino groups has been replaced by an amino group. 3,3'-Diaminobenzidine: A chemically and thermodynamically stable derivative of BENZIDINE. | biphenyls; substituted aniline | histological dye |
tolonium chloride | tolonium chloride : An organic chloride salt having 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium (tolonium) as the counterion. It is a blue nuclear counterstain that can be used to demonstrate Nissl substance and is also useful for staining mast cell granules, both in metachromatic and orthochromatic techniques. Tolonium Chloride: A phenothiazine that has been used as a hemostatic, a biological stain, and a dye for wool and silk. Tolonium chloride has also been used as a diagnostic aid for oral and gastric neoplasms and in the identification of the parathyroid gland in thyroid surgery. | ||
4-phenylphenol | 4-phenylphenol: RN given refers to cpd without isomeric designation biphenyl-4-ol : A member of the class of hydroxybiphenyls that is biphenyl carrying a hydroxy group at position 4. | hydroxybiphenyls | |
phenothiazine | 10H-phenothiazine : The 10H-tautomer of phenothiazine. | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
4,4'-dihydroxybiphenyl | biphenyl-4,4'-diol : A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'. | hydroxybiphenyls | |
2-methoxynaphthalene | naphthalenes | ||
n,n-diethyl 4-phenylenediamine | N,N-diethyl 4-phenylenediamine: RN given refers to parent cpd | ||
methyleugenol | methyleugenol: structure | phenylpropanoid | |
benzoic anhydride | acyclic carboxylic anhydride | ||
benzylparaben | benzoate ester; benzyl ester | ||
butylparaben | organic molecular entity | ||
benzotriazole | benzotriazole : The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. benzotriazole: inhibitor of atmospheric metal corrosion; also component of motion picture film & Neva brake fluid | benzotriazoles | environmental contaminant; xenobiotic |
thiohexam | thiohexam: rubber cure accelerator | ||
2-dichlorobenzene | 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2. 2-dichlorobenzene: structure | dichlorobenzene | hepatotoxic agent; metabolite |
1,2-diaminobenzene | 1,2-diaminobenzene: RN given refers to parent cpd 1,2-phenylenediamine : A phenylenediamine in which the two amino groups are ortho to each other. | phenylenediamine | hydrogen donor |
2-chlorophenol | chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2-halophenol; monochlorophenol | |
2-methyl-1,4-hydroquinone | 2-methyl-1,4-hydroquinone: structure given in first source toluquinol : A member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group. | hydroquinones | angiogenesis inhibitor; anti-inflammatory agent; Penicillium metabolite |
3,4-dichloroaniline | 3,4-dichloroaniline : A dichloroaniline having the two chloro-substituents at the 3- and 4-positions. | dichloroaniline | epitope; xenobiotic |
4-chloro-1,2-diaminobenzene | 4-chloro-1,2-diaminobenzene: RN given refers to parent cpd | monochlorobenzenes | |
2-amino-4-methylphenol | 2-amino-4-methylphenol: structure in first source | ||
2-amino-4-chlorophenol | 2-amino-4-chlorophenol: causes contact dermititis | ||
2,4,5-trichlorophenol | 2,4,5-trichlorophenol : A trichlorophenol carrying chloro groups at positions 2, 4 and 5. 2,4,5-trichlorophenol: RN given refers to parent cpd; structure | trichlorophenol | |
1,3-dichloro-2-propanol | 1,3-dichloro-2-propanol: RN given refers to cpd with specified locants 1,3-dichloropropan-2-ol : A secondary alcohol that is isopropanol in which one hydrogen of each methyl group is substituted by a chlorine. A liquid at room temperature (melting point -4degreeC, boiling point 174degreeC at 760 mm Hg), it is used as a solvent for hard resins and nitrocellulose. | organochlorine compound; secondary alcohol | cross-linking reagent; protic solvent |
alpha-chlorohydrin | 3-chloropropane-1,2-diol : A chloropropane-1,2-diol that is propane-1,2-diol substituted by a chloro group at position 3. alpha-Chlorohydrin: A chlorinated PROPANEDIOL with antifertility activity in males used as a chemosterilant in rodents. | chloropropane-1,2-diol | |
methylcyclopentane | methylcyclopentane : A cycloalkane that is cyclopentane substituted by a single methyl group. methylcyclopentane: toxic; RN 96-37-7 | cycloalkane; volatile organic compound | human metabolite; plant metabolite |
4,4'-thiobis(6-tert-butyl-3-cresol) | 4,4'-thiobis(6-tert-butyl-3-cresol): structure given in first source | ||
2,4-di-tert-butylphenol | 2,4-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4. 2,4-di-tert-butylphenol: structure given in first source | alkylbenzene; phenols | antioxidant; bacterial metabolite; marine metabolite |
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 |
1,3-ditolylguanidine | 1,3-ditolylguanidine: structure given in first source; a selective ligand for the sigma binding sites in the brain | toluenes | |
o-aminoazotoluene | o-Aminoazotoluene: An azo dye with carcinogenic properties. | ||
tetramethylthiuram monosulfide | |||
furfuryl alcohol | furfuryl alcohol : A furan bearing a hydroxymethyl substituent at the 2-position. furfuryl alcohol: structure | furans; primary alcohol | Maillard reaction product |
3-aminobenzotrifluoride | |||
p-tert-butyl catechol | |||
4-tert-butyltoluene | |||
butylphen | 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4. butylphen: irritant; structure | phenols | allergen |
3-dimethylaminophenol | |||
3-nitrotoluene | mononitrotoluene | ||
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 |
3-nitrobenzaldehyde | |||
isophthaloyl dichloride | |||
3-dinitrobenzene | 1,3-dinitrobenzene : A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups. dinitrobenzene : Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class. | dinitrobenzene | neurotoxin |
methylparaben | methylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
dimethyl-4-phenylenediamine | dimethyl-4-phenylenediamine: RN given refers to parent cpd; structure | diamine; substituted aniline | |
4-chloronitrobenzene | C-nitro compound | ||
4-nitroaniline | nitroaniline | bacterial xenobiotic metabolite | |
4-(dimethylamino)benzaldehyde | 4-(dimethylamino)benzaldehyde : A member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine. p-dimethylaminobenzaldehyde: structure in first source | benzaldehydes; substituted aniline; tertiary amino compound | chromogenic compound |
4-nitrobenzyl chloride | 4-nitrobenzyl chloride: structure given in first source p-nitrobenzyl chloride : A C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group. | benzyl chlorides; C-nitro compound | mutagen |
n-methyl-4-nitroaniline | N-methyl-4-nitroaniline: structure in first source | ||
4-nitrophenetol | |||
2-diethylaminoethanol | 2-diethylaminoethanol : A member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups. 2-diethylaminoethanol: RN given refers to unlabeled parent cpd | ethanolamines; primary alcohol; tertiary amino compound | |
phenylmercuric chloride | |||
phenylhydroxylamine | N-phenylhydroxylamine : An N-substituted amine that is a derivative of aniline in which one of the amino hydrogen atoms is replaced with a hydroxy substituent. phenylhydroxylamine: RN given refers to parent cpd | N-substituted amine | |
cyclamic acid | Cyclamates: Salts and esters of cyclamic acid. cyclohexylsulfamic acid : A member of the class of sulfamic acids that is sulfamic acid carrying an N-cyclohexyl substituent. | sulfamic acids | environmental contaminant; human xenobiotic metabolite |
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 | ||
triclocarban | triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively. triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure | dichlorobenzene; monochlorobenzenes; phenylureas | antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic |
barban | barban : A carbamate ester that is 4-chlorobut-2-yn-1-yl ester of N-(3-chlorophenyl)carbamic acid. A herbicide, it is no longer approved for use within the European Community. barban: selective herbicide for wild oats; structure | acetylenic compound; carbamate ester; monochlorobenzenes | herbicide |
4-benzylphenol | 4-benzylphenol: metabolite of diphenylmethane; RN given refers to parent cpd | ||
4-aminodiphenylamine | 4-aminodiphenylamine: RN given refers to parent cpd p-aminodiphenylamine : An aromatic amine that is the 4-amino derivative of diphenylamine. | aromatic amine; secondary amino compound | allergen |
4-bromophenyl phenyl ether | 4-bromodiphenyl ether: induces apoptosis 4-bromophenyl phenyl ether : An aromatic ether that is diphenyl ether substituted at position 4 by a bromo group. | aromatic ether; organobromine compound | |
4,4'-diphenylmethane diisocyanate | 4,4'-diphenylmethane diisocyanate: used as a hardening agent incorporated in polyurethanes diphenylmethane-4,4'-diisocyanate : A diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions. | diisocyanate | allergen; hapten |
n-isopropyl-n-phenyl-4-phenylenediamine | N-isopropyl-N'-phenyl-p-phenylenediamine : The N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group. | N-substituted diamine | allergen; antioxidant |
4,4'-diaminodiphenylmethane | 4,4'-diaminodiphenylmethane : An aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group. 4,4'-diaminodiphenylmethane: RN given refers to parent cpd; structure | aromatic amine | allergen; carcinogenic agent |
diglycidyl resorcinol ether | diglycidyl resorcinol ether: structure | aromatic ether | |
diphenylguanidine | 1,3-diphenylguanidine : Guanidine carrying a phenyl substituent on each of the two amino groups. It is used as an accelerator in the rubber industry. diphenylguanidine: vulcanization accelerator; RN given refers to parent cpd | guanidines | allergen |
triethanolamine | triethanolamine : A tertiary amino compound that is ammonia in which each of the hydrogens is substituted by a 2-hydroxyethyl group. triethanolamine: RN given refers to parent cpd | amino alcohol; tertiary amino compound; triol | buffer; surfactant |
monobenzone | monobenzone : The monobenzyl ether of hydroquinone. It is used as a topical drug for medical depigmentation. monobenzone: structure | benzyl ether | allergen; dermatologic drug; melanin synthesis inhibitor |
2-ethylhexanol | primary alcohol | plant metabolite; volatile oil component | |
4-nitrosophenol | 4-nitrosophenol: RN given refers to unlabeled parent cpd | ||
citronellyl formate | citronellyl formate: a volatile oil from Pelargonium graveoleus | carboxylic ester | |
12-hydroxy stearic acid | 12-hydroxy stearic acid: structure in first source 12-hydroxyoctadecanoic acid : A hydroxy fatty acid that is stearic acid bearing a hydroxy substituent at position 12. | hydroxyoctadecanoic acid; secondary alcohol | bacterial xenobiotic metabolite; plant metabolite |
4-bromoaniline | 4-bromoaniline: RN given refers to parent cpd; structure given in Merck Index, 9th ed, #1403 | ||
4-chloroaniline | 4-chloroaniline : A chloroaniline in which the chloro atom is para to the aniline amino group. 4-chloroaniline: RN given refers to parent cpd; structure | chloroaniline; monochlorobenzenes | |
4-phenylenediamine | 1,4-phenylenediamine : A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. 4-phenylenediamine: agent hair dye responsible for contact dermatitis; RN given refers to parent cpd | phenylenediamine | allergen; dye; hapten; reagent |
4-vinyl-1-cyclohexene dioxide | 4-vinyl-1-cyclohexene dioxide: activates caspase cascades; structure 4-vinylcyclohexene dioxide : The diepoxide of 4-vinylcyclohexene. | epoxide | carcinogenic agent |
acrylonitrile | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent | |
diisobutylene | 2,4,4-trimethylpentene: a hazardous substance | ||
tetraethyl pyrophosphate | tetraethyl pyrophosphate: topical agent for glaucoma; structure | organic diphosphate | |
acetic anhydride | acetic anhydride : An acyclic carboxylic anhydride derived from acetic acid. acetic anhydride: RN given refers to unlabeled cpd; structure | acyclic carboxylic anhydride | metabolite; reagent |
propylene carbonate | 4-methyl-1,3-dioxolan-2-one: structure in first source | ||
thiophenol | thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group. | aryl thiol | |
dibutyl sebacate | dibutyl sebacate: used in retail packaging of foods | fatty acid ester | |
isopropylethanediol | isopropylethanediol: structure | ||
dicyanmethane | malononitrile : A dinitrile that is methane substituted by two cyano groups. | aliphatic nitrile; dinitrile | |
di-tert-butyl peroxide | tert-butyl peroxide: structure in first source | ||
2-butyne-1,4-diol | but-2-yne-1,4-diol : A butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4. | butynediol | |
3,4-dihydropyran | |||
squalane | |||
methyl heptine carbonate | methyl heptine carbonate: structure | fatty acid ester | |
diethanolamine | diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent. diethanolamine: RN given refers to parent cpd | ethanolamines | human xenobiotic metabolite |
heptanal | heptanal : An n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer. | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | biomarker |
diethylene glycol monomethyl ether | 2-(2-methoxyethoxy)ethanol : A hydroxypolyether that is the monomethyl ether derivative of diethylene glycol. | diether; glycol ether; hydroxypolyether | solvent; teratogenic agent |
lauric acid methyl ester | methyl laurate : A fatty acid methyl ester of lauric acid. | dodecanoate ester; fatty acid methyl ester | metabolite |
n-decyl alcohol | decan-1-ol : A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms. decanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of ten carbon atoms. n-decyl alcohol: RN given refers to parent cpd | decanol; primary alcohol | metabolite; pheromone; protic solvent |
butyl carbitol | butyl carbitol: structure | ether | |
undecan-1-ol | undecan-1-ol : A primary alcohol that is undecane substituted by a hydroxy group at position 1. undecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eleven carbon atoms. | primary alcohol; undecanol | flavouring agent; plant metabolite |
estradiol dipropionate | estradiol dipropionate: RN given refers to (17beta)-isomer; RN for cpd without isomeric designation not in Chemline 7/83 | steroid ester | |
methylergonovine | Methylergonovine: A homolog of ERGONOVINE containing one more CH2 group. (Merck Index, 11th ed) | ergoline alkaloid | |
imipramine hydrochloride | hydrochloride | antidepressant | |
dicofol | dicofol : A tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group. Dicofol: An organochlorine insecticide. | monochlorobenzenes; organochlorine acaricide; tertiary alcohol | |
oxyphenisatin acetate | Oxyphenisatin Acetate: A laxative that undergoes enterohepatic circulation. It may cause jaundice. | benzoate ester; phenols | |
tris(chloroethyl)phosphate | tris(2-chloroethyl) phosphate : A trialkyl phosphate that is the tris(2-chloroethyl) ester of phosphoric acid. tris(chloroethyl)phosphate: has gonadotoxic effects | organochlorine compound; trialkyl phosphate | |
tetradifon | tetradifon : A sulfone that is diphenylsulfone in which one of the phenyl groups is substituted by chlorine at position 4, while the other is substituted by a chlorine at positions 2, 4, and 5. tetradifon: acaricide; ovicide on deciduous fruits, citrus, cotton and other crops; structure | monochlorobenzenes; organochlorine acaricide; sulfone; trichlorobenzene | |
tecnazene | tecnazene : A C-nitro compound that is nitrobenzene in which the four hydrogens located ortho- and para- to the nitro group have been replaced by chlorines. A fungicide used to control dry rot, it is no longer approved for use within the European Union. tetrachloronitrobenzene: sprout suppressant for potatoes; can be either the 1,2,4,5- and/or the 1,2,3,5-tetrachloro isomer; RN given refers to cpd with unspecified isomeric designation | aromatic fungicide; C-nitro compound; tetrachlorobenzene | antifungal agrochemical |
2-aminoanthraquinone | anthraquinone | ||
dichlone | dichlone: structure | ||
diethylhexyl phthalate | bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers. | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
1,3-dichloro-5,5-dimethylhydantoin | sulfochloranthine: combination of dichlorodimethylhydantoin, dimethylhydantoin, sodium polyphosphate, sulfanol | ||
homosalate | homosalate: cpd not photoallergenic | benzoate ester; phenols | |
ethyl salicylate | ethyl salicylate: causes erythema after topical application as an aerosol; found in blood | hydroxybenzoic acid | |
chloranil | Chloranil: A quinone fungicide used for treatment of seeds and foliage. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
2-toluic acid | 2-toluic acid: RN given refers to parent cpd; structure o-toluic acid : A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2. | methylbenzoic acid | xenobiotic metabolite |
framycetin | framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B. Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed) | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
2,2'-methylenebis(4-methyl-6-tert-butylphenol) | diarylmethane | ||
dianisidine | Dianisidine: Highly toxic compound which can cause skin irritation and sensitization. It is used in manufacture of azo dyes. | biphenyls | |
clorophene | |||
lauric acid diethanolamide | lauric acid diethanolamide: component of shampoo implicated in contact dermatitis | fatty amide | |
dimethyl 4-phthalate | dimethyl 4-phthalate: solvent; structure dimethyl terephthalate : A diester resulting from the formal condensation of the carboxy groups of terephthalic acid with methanol. It is a primary ingredient widely used in the manufacture of polyesters and industrial plastics. | diester; methyl ester; phthalate ester | |
sulfoxide | sulfoxide : An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H). sulfoxide: synergistic insecticide for use with pyrethrum, allethrin, rotenone, ryania, etc.; RN given refers to parent cpd; structure | benzodioxoles | |
2,4-dichlorophenol | 2,4-dichlorophenol : A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4. 2,4-dichlorophenol: RN given refers to unlabeled parent+ cpd; structure | dichlorophenol | |
3-tert-butyl-4-hydroxyanisole | 3-tert-butyl-4-hydroxyanisole : An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group. | aromatic ether; phenols | antioxidant; human xenobiotic metabolite |
4-chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene | 4-chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene: RN given refers to cpd with specified locants; structure in first source | ||
ethyl vanillin | ethyl vanillin : A member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group. | aromatic ether; benzaldehydes; phenols | antioxidant; flavouring agent |
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 |
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 | ||
1,4-naphthoquinone | 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene. | 1,4-naphthoquinones | |
deserpidine | deserpidine: minor descriptor (66-84); on-line search RESERPINE/AA (75-84), RESERPINE (66-74); Index Medicus search RESERPINE/AA (75-84), YOHIMBANS (69-74), RESERPINE (66-68); RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomer | alkaloid ester; benzoate ester; methyl ester; organic heteropentacyclic compound; yohimban alkaloid | |
dimethyl phthalate | dimethyl phthalate: used as plasticizer in computer mouse; structure | diester; methyl ester; phthalate ester | |
di-n-propylphthalate | di-n-propylphthalate: RN & Structure given in first source dipropyl phthalate : A phthalate ester that is the dipropyl ester of benzene-1,2-dicarboxylic acid. | diester; phthalate ester | |
di-n-pentyl phthalate | dipentyl phthalate : A phthalate ester that is the dipentyl ester of benzene-1,2-dicarboxylic acid. | diester; phthalate ester | plasticiser |
dioxybenzone | dioxybenzone: structure | benzophenones | |
2,2',4,4'-tetrahydroxybenzophenone | |||
3-amino-9-ethylcarbazole | 3-amino-9-ethylcarbazole: RN given refers to parent cpd | carbazoles | |
cinchophen | cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94 | quinolines | |
captan | captan : A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. Captan: One of the phthalimide fungicides. | isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide | antifungal agrochemical |
folpet | folpet : A member of the class of phthalimides that is phthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethylthio group. An agricultural fungicide, it has been used to control mildew, leaf spot, and other diseases in crops sice the 1950s. | organochlorine compound; organosulfur compound; phthalimide fungicide | antifungal agrochemical |
phenyl 4-aminosalicylate | carbonyl compound | ||
2-Phenylethyl 2-aminobenzoate | benzoate ester | ||
3,5-diiodosalicylic acid | 3,5-diiodosalicylic acid: RN given refers to parent cpd; structure | ||
menthyl anthranilate | menthyl anthranilate: structure in first source | monoterpenoid | |
2-naphthol | 2-naphthol : A naphthol carrying a hydroxy group at position 2. 2-naphthol: RN given refers to parent cpd naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
methapyrilene hydrochloride | methapyrilene hydrochloride : A hydrochloride that is the monohydrochloride salt of methapyrilene. | hydrochloride | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
neozone | N-phenyl-2-naphthalenamine: structure in first source | naphthalenes | |
1,3-diphenyl-1-triazene | 1,3-diphenyl-1-triazene: structure in first source | ||
phenazopyridine hydrochloride | phenazopyridine hydrochloride : A hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity. | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
diamthazole | diamthazole: RN given refers to parent cpd; structure | benzothiazoles | |
ziram | ziram : A dithiocarbamate salt that is the zinc salt of dimethyldithiocarbamic acid. It is a broad-spectrum fungicide and bird and animal repellent that is also used to accelerate the vulcanisation of rubber. Ziram: An industrial fungicide with low mammalian toxicity, although it does possess an irritant capacity for skin and mucous membranes. | dithiocarbamate salt; zinc molecular entity | antifungal agrochemical; apoptosis inducer |
4-nitrosodimethylaniline | 4-nitrosodimethylaniline: structure; RN given refers to parent cpd N,N-dimethyl-4-nitrosoaniline : A member of the class of dimethylanilines that is N,N-dimethylaniline having a nitroso group at the 4-position. | dimethylaniline; nitroso compound; tertiary amino compound | |
zephiramine | |||
triethanolamine lauryl sulfate | texapon TH: sodium dodecyl sulfate compd. with triethanolamine [1:1] | ||
monuron | monuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a p-chlorophenyl group while the other is substituted by two methyl groups. monuron: minor descriptor (72-83); on-line & Index Medicus search UREA/AA (72-74) & HERBICIDES (72-74) & HERBICIDES UREA (75-83); RN given refers to unlabeled cpd; structure | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes | environmental contaminant; herbicide; xenobiotic |
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 | |
pentamidine isethionate | pentamidine isethionate : An organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid. | organosulfonate salt | trypanocidal drug |
4-tert-octylphenol | 4-tert-octylphenol: structure given in first source | alkylbenzene | |
sterogenol | cetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. hexadecylpyridinium bromide: structure in first source | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
ethyl acetate | ethyl acetate : The acetate ester formed between acetic acid and ethanol. | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
hexyl methacrylate | hexyl methacrylate: used to make monolithic columns | ||
hexanoic acid | hexanoic acid : A C6, straight-chain saturated fatty acid. | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
isopropyl palmitate | isopropyl palmitate : A fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with propan-2-ol. Metabolite observed in cancer metabolism. | fatty acid ester; isopropyl ester | human metabolite |
pregnenolone | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | 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 |
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt | 1,2-Dihydroxybenzene-3,5-Disulfonic Acid Disodium Salt: A colorimetric reagent for iron, manganese, titanium, molybdenum, and complexes of zirconium. (From Merck Index, 11th ed) | organic molecular entity | |
cycloguanil hydrochloride | cycloguanil hydrochloride : The hydrochloride salt of cycloguanil. | hydrochloride; organic molecular entity | |
dydrogesterone | 20-oxo steroid; 3-oxo-Delta(4) steroid | progestin | |
D-tryptophan | D-alpha-amino acid; tryptophan; tryptophan zwitterion | bacterial metabolite | |
1,12-benzoperylene | 1,12-benzoperylene: structure; see also record for benzoperylene | ortho- and peri-fused polycyclic arene | |
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 |
benzo(b)fluoranthene | benzo[b]fluoranthene : An ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring. | ortho- and peri-fused polycyclic arene | mutagen |
benzo(k)fluoranthene | naphthalenes | ||
acenaphthylene | acenaphthylene : A ortho- and peri-fused tricyclic hydrocarbon that occurs in coal tar. acenaphthylene: RN given refers to parent cpd | acenaphthylenes; ortho- and peri-fused polycyclic arene; ortho- and peri-fused tricyclic hydrocarbon | |
benzotriphenylene | carbopolycyclic compound | ||
benzofuran | 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans. benzofuran: RN & structure given in first source | 1-benzofurans; benzofuran | |
cyclohexene oxide | cyclohexene oxide: inhibitor of epoxide hydrase; structure | ||
ethynodiol diacetate | Ethynodiol Diacetate: A synthetic progestational hormone used alone or in combination with estrogens as an oral contraceptive (CONTRACEPTIVES, ORAL). | steroid ester; terminal acetylenic compound | contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive |
di-2-(ethylhexyl)phosphoric acid | di-2-(ethylhexyl)phosphoric acid: RN given refers to parent cpd | ||
crufomate | crufomate: was MH 1976-92 (see under INSECTICIDES, ORGANOPHOSPHATE 1976-90); use ORGANOPHOSPHORUS COMPOUNDS to search CRUFOMATE 1976-92; an insecticide used extensively for the control of cattle grubs, cattle lice, and hornflies | alkylbenzene | |
chlormadinone acetate | Chlormadinone Acetate: An orally active synthetic progestational hormone used often in combinations as an oral contraceptive (CONTRACEPTIVES, ORAL). | corticosteroid hormone | |
disophenol | disophenol: structure | 4-nitrophenols | |
perfluorodecalin | perfluorodecalin : A fluorocarbon that is decalin in which every hydrogen is replaced by fluorine. Capable of dissolving large quantities of oxygen, it has been used as the basis of an artificial blood substitute. perfluorodecalin: RN given refers to parent cpd without isomeric designation | fluorocarbon | blood substitute; solvent |
paraoxon | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite | |
estradiol 17 beta-cypionate | steroid ester | ||
evans blue | Evans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence. Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly. | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
monocrotaline | Monocrotaline: A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment. | pyrrolizidine alkaloid | |
azacitidine | 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia. Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent. | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
haloxon | haloxon: structure | ||
perfluorodecanoic acid | perfluorodecanoic acid : A fluoroalkanoic acid that is perfluorinated decanoic acid. | fluoroalkanoic acid | environmental contaminant; xenobiotic |
orphenadrine hydrochloride | orphenadrine hydrochloride : A hydrochloride comprising equimolar amounts of ophenadrine and hydrogen chloride. | hydrochloride | antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
cloflucarban | cloflucarban: structure halocarban : A phenylurea that is urea substituted by 4-chlorophenyl and 4-chloro-3-trifluoromethylphenyl groups at positions 1 and 3 respectively. It is often used in deodarants and soaps on account of its anbacterial properties. | monochlorobenzenes; phenylureas | antibacterial agent |
triphenyltin fluoride | triphenyltin fluoride: induces hypertriglyceridemia in rabbits | ||
prenylamine | Prenylamine: A drug formerly used in the treatment of angina pectoris but superseded by less hazardous drugs. Prenylamine depletes myocardial catecholamine stores and has some calcium channel blocking activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1406) | diarylmethane | |
5-methylpyrazole-3-carboxylic acid | 5-methyl-pyrazole-3-carboxylic acid : A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively. 5-methylpyrazole-3-carboxylic acid: structure | monocarboxylic acid; pyrazoles | metabolite |
cyproterone acetate | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin | |
lithocholic acid | lithocholate : A bile acid anion that is the conjugate base of lithocholic acid. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
deoxybenzoin | deoxybenzoin: structure in first source | ||
4-methylcatechol | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite | |
glycyrrhetinic acid | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite | |
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 |
rhein | dihydroxyanthraquinone | ||
cepharanthine | cepharanthine : A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. cepharanthine: isoquinoline alkaloid from tubers of STEPHANIA; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation | bisbenzylisoquinoline alkaloid; isoquinolines | |
aloe emodin | Aloe emodin : A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. aloe emodin: structure distinct from emodin; this does not mean emodin from aloe | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
menadiol | methylnaphthalenes; naphthalenediols; naphthohydroquinone | ||
indigo | hydroxyindoles | ||
emetine | emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS. | isoquinoline alkaloid; pyridoisoquinoline | antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor |
kokusaginine | kokusaginine: antimalarial alkaloid from Teclea afzelii; structure in first source | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
9-phenanthrol | 9-phenanthrol : A phenanthrol that is phenanthrene in which a hydrogen attached to a carbon in the central ring has been replaced by a hydroxy group. 9-phenanthrol: an inhibitor of AMP-dependent protein kinase catalytic subunit; structure in first source | phenanthrol | TRPM4 channel inhibitor |
dihydralazine | Dihydralazine: 1,4-Dihydrazinophthalazine. An antihypertensive agent with actions and uses similar to those of HYDRALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p354) | phthalazines | |
ninhydrin | ninhydrin : A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2. Ninhydrin: 2,2-Dihydroxy-1H-indene-1,3-(2H)-dione. Reagent toxic to skin and mucus membranes. It is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties. | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
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 | |
salacetamide | salicylamides | ||
kainic acid | Kainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose. | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
topanol 354 | Topanol 354: structure | methoxybenzenes; phenols | |
methyl red | methyl red : An azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group. methyl red: RN given refers to parent cpd; structure | ||
dibenzylamine | 10,11-dihydro-5H-dibenzo(b,f)azepine: core structure of clomipramine | ||
benzohydroxamic acid | |||
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 | |
olivetol | olivetol : A member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group. olivetol: from cannabidiol by pyrolysis; structure | resorcinols | lichen metabolite |
iberin | isothiocyanate; sulfoxide | apoptosis inducer; plant metabolite; quorum sensing inhibitor | |
oleanolic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite | |
chlorobenzilate | chlorobenzilate: structure | diarylmethane | |
dihydroergotamine | dihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension. Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS. | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
1,1-dichloroacetone | |||
podophyllotoxin | Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA. | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
androstenediol | androst-5-ene-3beta,17beta-diol : A 3beta-hydroxy-Delta(5)-steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta. Androstenediol: An intermediate in TESTOSTERONE biosynthesis, found in the TESTIS or the ADRENAL GLANDS. Androstenediol, derived from DEHYDROEPIANDROSTERONE by the reduction of the 17-keto group (17-HYDROXYSTEROID DEHYDROGENASES), is converted to TESTOSTERONE by the oxidation of the 3-beta hydroxyl group to a 3-keto group (3-HYDROXYSTEROID DEHYDROGENASES). | 17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid | androgen; human metabolite; mouse metabolite; radiation protective agent |
dihydrotestosterone | 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5. Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE. | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
pyrathiazine | pyrathiazine: RN given refers to parent cpd; structure | phenothiazines | |
dequalinium chloride | dequalinium chloride : An organic chloride salt that is the dichloride salt of dequalinium. | organic chloride salt | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
angelicin | angelicin: used as tranquillizer; sedative; or anticonvulsant; structure | furanocoumarin | |
dimenhydrinate | gravinol: has antioxidant and ant-inflammatory activities; structure in first source | diarylmethane | |
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 |
2,4,6-trimethylphenol | hydroxytoluene | ||
1,2-dinitrobenzene | dinitrobenzene | ||
chrysoidine | chrysoidine: RN given refers to parent cpd; structure | ||
chlormethiazole | Chlormethiazole: A sedative and anticonvulsant often used in the treatment of alcohol withdrawal. Chlormethiazole has also been proposed as a neuroprotective agent. The mechanism of its therapeutic activity is not entirely clear, but it does potentiate GAMMA-AMINOBUTYRIC ACID receptors response and it may also affect glycine receptors. | thiazoles | |
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 |
1,3-dichloroacetone | 1,3-dichloroacetone : A ketone that is propan-2-one in which a hydrogen at positions 1 and 3 have been replaced by chloro groups. It is used in the synthesis of citric acid. Also used as a solvent and as an intermediate in organic synthesis. | ketone; organochlorine compound | |
4,6-dinitro-o-cresol | 4,6-dinitro-o-cresol : A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6. 4,6-dinitro-o-cresol: RN given refers to parent cpd; structure | dinitrophenol acaricide; hydroxytoluene; nitrotoluene | dinitrophenol insecticide; fungicide; herbicide |
evernic acid | evernic acid: RN given refers to parent cpd | carbonyl compound | |
amanozine | diamino-1,3,5-triazine | ||
nitrophenide | nitrophenide: Structure in first source | ||
domiphen bromide | aromatic ether | ||
dicyclohexylcarbodiimide | 1,3-dicyclohexylcarbodiimide : A carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms. | carbodiimide | ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent |
senecioic acid | 3-methylbut-2-enoic acid : A methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3. senecioic acid: structure | alpha,beta-unsaturated monocarboxylic acid; methyl-branched fatty acid; monounsaturated fatty acid; short-chain fatty acid | plant metabolite |
maleimide | dicarboximide; maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | |
trichloroacetonitrile | aliphatic nitrile; organochlorine compound | ||
gentian violet | crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain. Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties. | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
thiphenamil | thiphenamil: RN given refers to parent cpd; structure | diarylmethane | |
amitriptyline hydrochloride | organic tricyclic compound | ||
1-naphthylisothiocyanate | 1-Naphthylisothiocyanate: A tool for the study of liver damage which causes bile stasis and hyperbilirubinemia acutely and bile duct hyperplasia and biliary cirrhosis chronically, with changes in hepatocyte function. It may cause skin and kidney damage. | isothiocyanate | insecticide |
2-nitrobenzaldehyde | 2-nitrobenzaldehyde : Benzaldehyde substituted at the ortho-position with a nitro group. 2-nitrobenzaldehyde: structure given in first source | benzaldehydes; C-nitro compound | |
3-nitrophenol | 3-nitrophenols | ||
tripalmitin | tripalmitin : A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by palmitic (hexadecanoic) acid. tripalmitin: structure | triglyceride | |
octamethylcyclotetrasiloxane | octamethylcyclotetrasiloxane : A cyclosiloxane that is the octamethyl derivative of cyclotetrasiloxane. octamethylcyclotetrasiloxane: structure | cyclosiloxane; organosilicon compound | |
thallium acetate | thallium acetate: RN given refers to Tl(+1) salt thallium(I) acetate : An acetate salt comprising equal numbers of acetate and thallium ions. | acetate salt; thallium molecular entity | apoptosis inducer; neurotoxin |
chlorotrianisene | Chlorotrianisene: A powerful synthetic, non-steroidal estrogen. | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
congo red | Congo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0. Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS. | bis(azo) compound | |
3-hydroxyflavone | 3-hydroxyflavone: structure given in first source flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone. | flavonols; monohydroxyflavone | |
iodoalphionic acid | iodoalphionic acid: RN given refers to parent cpd; do not confuse biliognost with non-print entry term bilignost | stilbenoid | |
isoxsuprine hydrochloride | alkylbenzene | ||
2,6-dimethylnaphthalene | 2,6-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 2 and 6. 2,6-dimethylnaphthalene: RN given refers to parent cpd | dimethylnaphthalene | environmental contaminant |
allethrins | Allethrins: Synthetic analogs of the naturally occurring insecticides cinerin, jasmolin, and pyrethrin. (From Merck Index, 11th ed) | cyclopropanecarboxylate ester | pyrethroid ester insecticide |
2-chloroacetanilide | |||
diphenylamine | diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning. | aromatic amine; bridged diphenyl fungicide; secondary amino compound | antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger |
3,5-dichlorophenol | 3,5-dichlorophenol : A dichlorophenol in which the two chloro substituents are located at positions 3 and 5. | dichlorophenol | |
megestrol acetate | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive | |
glycopyrrolate | Glycopyrrolate: A muscarinic antagonist used as an antispasmodic, in some disorders of the gastrointestinal tract, and to reduce salivation with some anesthetics. glycopyrronium bromide : A quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and bromide ions in a 1:1 ratio. | organic bromide salt; quaternary ammonium salt | |
2-bromopropionic acid, (dl)-isomer | 2-bromopropionic acid: RN given refers to cpd without isomeric designation | ||
4-cumylphenol | diarylmethane | ||
2,3-dinitrotoluene | 2,3-dinitrotoluene : A dinitrotoluene that is toluene in which the hydrogens at positions 2 and 3 have been replaced by nitro groups. dinitrotoluene : Any nitrotoluene carrying two nitro substituents. | dinitrotoluene | explosive |
9-nitroanthracene | 9-nitroanthracene: RN given refers to cpd with locant for nitro moiety in 5 position | anthracenes | |
1,3-dinitronaphthalene | 1,3-dinitronaphthalene: structure given in first source | dinitronaphthalene | |
ferrocin c | N-methyl-2-quinolone: structure in first source | ||
2-nitrofluorene | 2-nitrofluorene : A nitroarene that is fluorene substituted by a nitro group at position 2. 2-nitrofluorene: RN given refers to cpd with locant with nitro moiety in 2 position | nitroarene | carcinogenic agent; mutagen |
2-methylresorcinol | |||
pentabromophenol | |||
3,4,5-trichlorophenol | |||
2-anthramine | 2-anthramine: structure | anthracenamine | |
acetylcysteine | N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
3,5-diaminobenzoic acid | 3,5-diaminobenzoic acid: RN given refers to parent cpd | ||
isovanillin | isovanillin : A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. isovanillin: inhibits aldehyde oxidase | benzaldehydes; monomethoxybenzene; phenols | animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite |
n-nitroso(di-n-propyl)amine | nitroso compound | ||
dimethyl disulfide | organic disulfide | xenobiotic metabolite | |
3-Bromo-1-propanol | primary alcohol | ||
dimethyladipate | fatty acid methyl ester | ||
pentadecane | pentadecane : A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae. | long-chain alkane | animal metabolite; plant metabolite; volatile oil component |
tetrabromophthalic anhydride | 2-benzofurans; cyclic dicarboxylic anhydride | ||
c.i. 42510 | basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin. Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS. | ||
brilliant green | brilliant green : An organic hydrogensulfate salt having 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium as the counterion. brilliant green: RN given refers to sulfate; structure in Merck Index, 9th ed, #1378 | organic hydrogensulfate salt | antibacterial agent; antiseptic drug; environmental contaminant; fluorochrome; histological dye; poison |
Berberine chloride (TN) | organic molecular entity | ||
2,4,6-trichloroaniline | |||
triphenyltin chloride | fentin chloride : An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a chloro group. A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans. triphenyltin chloride: see also triphenyltin acetate, triphenyltin hydroxide | chlorine molecular entity; organotin compound | antifungal agrochemical; immunosuppressive agent |
erythromycin | erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus). erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins. | cyclic ketone; erythromycin | |
2-propylphenol | 2-propylphenol : A member of the class of phenols that is phenol which is substituted by a propyl group at position 2. | phenols | flavouring agent; plant metabolite |
2'-deoxy-5'-adenosine monophosphate | 2'-deoxy-5'-adenosine monophosphate: RN given refers to parent cpd 2'-deoxyadenosine 5'-monophosphate : A purine 2'-deoxyribonucleoside 5'-monophosphate having adenine as the nucleobase. | 2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate | fundamental metabolite |
agaric acid | agaric acid: adenine nucleotide translocase antagonist | ||
dibutyldichlorotin | |||
n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide | N-dichlorofluoromethylthio-N',N'-dimethyl-N-p-tolylsulfamide: an endocrine disruptor; structure given in first source tolylfluanid : A member of the class of sulfamides that is dichlofluanid in which the hydrogen at the para position of the phenyl group is replaced by a methyl group. A fungicide first marketed in 1971 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union. | organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides | antifungal agrochemical; genotoxin |
phosmet | Phosmet: An organothiophosphorus insecticide that has been used to control pig mange. | organic thiophosphate; organothiophosphate insecticide; phthalimides | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
2,4,6-tri-tert-butylphenol | |||
eptc | EPTC: minor descriptor (72-82); online & Index Medicus search HERBICIDES, CARBAMATE (72-82) | tertiary amine | |
indole-3-acetic acid ethyl ester | indole-3-acetic acids | ||
phenyltriethoxysilane | |||
o,p'-ddt | o,p'-DDT: RN given refers to cpd without isomeric designation. | diarylmethane | |
n-(1,3-dimethylbutyl)-n'-phenyl-1,4-phenylenediamine | N-(1,3-dimethylbutyl)-N'-phenyl-1,4-phenylenediamine: antiozonant | ||
levonorgestrel | Levonorgestrel: A synthetic progestational hormone with actions similar to those of PROGESTERONE and about twice as potent as its racemic or (+-)-isomer (NORGESTREL). It is used for contraception, control of menstrual disorders, and treatment of endometriosis. | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
chloracizine | chloracizine: RN given refers to parent cpd; structure | ||
calcium lactate | |||
2-hydroxyethyl acrylate | |||
4-phenoxyphenol | phenoxyphenol | ||
1-phenylazo-2-naphthol | 1-phenylazo-2-naphthol: RN given refers to cpd without isomeric designation | ||
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 |
tetrachloronitrobenzene | |||
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 |
etonitazene | etonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals | ||
1,1,1-trichloroacetone | |||
2,3,5-trichlorophenol | |||
n-phenylmaleimide | N-phenylmaleimide: structure in Merck Index, 9th ed, #7104 | ||
methylparaoxon | C-nitro compound | ||
methidathion | methidathion: widely used on citrus, tobacco, alfalfa, cotton, sorghum & several other crops | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
moxisylyte hydrochloride | monoterpenoid | ||
ethylestrenol | ethylestrenol : A 17beta-hydroxy steroid that is estrane containing a double bond between positions 4 and 5 and substituted by an ethyl group and a hydroxy group at the 17alpha and 17beta positions, respectively. It is an anabolic steroid that has little androgenic effect and only slight progestational activity. It has been used to promote growth in boys with delayed bone growth. Ethylestrenol: An anabolic steroid with some progestational activity and little androgenic effect. | 17beta-hydroxy steroid; tertiary alcohol | anabolic agent |
dinobuton | dinobuton: Russian drug; structure | C-nitro compound | |
rhodamine 6g | rhodamine 6G: RN given refers to HCl | ||
benzopurpurine 4b | benzopurpurine 4B: structure | ||
hexamethylsilazane | hexamethylsilazane: RN given refers to parent cpd | N-silyl compound | chromatographic reagent |
pyrrolnitrin | pyrrolnitrin : A member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively. Pyrrolnitrin: 3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole. Antifungal antibiotic isolated from Pseudomonas pyrrocinia. It is effective mainly against Trichophyton, Microsporium, Epidermophyton, and Penicillium. | alkaloid; C-nitro compound; monochlorobenzenes; pyrroles | antifungal drug; bacterial metabolite |
endosulfan sulfate | |||
dichlofluanid | dichlofluanid : A member of the class of sulfamides that is sulfamide in which the hydrogens attached to one of the nitrogens are replaced by methyl groups, while those attached to the other nitrogen are replaced by a phenyl and a [dichloro(fluoro)methyl]sulfanediyl group. A fungicide introduced in 1965 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union. dichlofluanid: structure | organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides | acaricide; antifungal agrochemical |
pebulate | pebulate: structure | tertiary amine | |
dodecyltrimethylammonium bromide | dodecyltrimethylammonium bromide : A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen. | bromide salt; quaternary ammonium salt | surfactant |
tetradecyltrimethylammonium bromide | organic molecular entity | ||
1,3-propane sultone | 1,3-propane sultone: sultone is usually defined as a derivative of 1,8-naphtholsulfonic acid; structure | sultone | |
2-phenylpropanol | 2-phenylpropanol-1: RN given refers to cpd without isomeric designation | benzenes | |
3,3',4',5-tetrachlorosalicylanilide | 3,3',4',5-tetrachlorosalicylanilide : A salicylanilide derivative with chloride substituents at C-3 and C-5 of the salicylate moiety and at C-3 and C-4 of the anilide moiety. | dichlorobenzene; salicylanilides | drug allergen |
lauryl gallate | gallate ester | ||
citiolone | citiolone: RN given refers to cpd without isomeric designation; structure | N-acyl-amino acid | |
4-((diethylamino)sulfonyl)benzoic acid | 4-((diethylamino)sulfonyl)benzoic acid: do not confuse with ethamide which is an entry term to PROBENECID | sulfonamide | |
2-amino-7-nitrofluorene | 2-amino-7-nitrofluorene: structure in first source | ||
furazabol | furazabol: structure | steroid | |
dehydroepiandrosterone acetate | 3beta-acetoxyandrost-5-en-17-one: structure in first source | steroid ester | |
ethidium bromide | organic bromide salt | geroprotector; intercalator; trypanocidal drug | |
testosterone 17-phenylpropionate | steroid ester | ||
carmine | Carmine: Coloring matter from the insect Coccus cacti L. It is used in foods, pharmaceuticals, toiletries, etc., as a dye, and also has use as a microscopic stain and biological marker. | ||
amylmetacresol | amylmetacresol : A phenol having the structure of m-cresol substituted at the 6-position with an amyl group. amylmetacresol: topical antiseptic for treatment of sore throat; structure in first source | phenols | antiseptic drug |
tribromsalan | tribromosalicylanilide : A salicylanilide derivative with bromo- substituents at C-3 and C-5 of the salicylate moiety and at C-4 of the anilide moiety. tribromsalan: germicide; structure | salicylanilides | |
arsenic trioxide | Arsenic Trioxide: An inorganic compound with the chemical formula As2O3 that is used for the treatment of ACUTE PROMYELOCYTIC LEUKEMIA in patients who have relapsed from, or are resistant to, conventional drug therapy. | ||
antimycin a | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide | |
glycyrrhizic acid | glycyrrhizinic acid : A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid. | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
d-alpha tocopherol | (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen. Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS. | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
dinoterb | C-nitro compound; phenols | ||
sapropterin | aromatic ketone | ||
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 | |
tetrabutyltin | |||
n-(1-naphthyl)ethylenediamine dihydrochloride | N-(1-naphthyl)ethylenediamine dihydrochloride : An ethylenediamine dihydrochloride compound having an N-(1-naphthyl) substituent. | hydrochloride | |
penicillin g benzathine anhydrous | benzathine(2+) salt | ||
bisphenol a-glycidyl methacrylate | Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials. | diarylmethane | |
2,4-dinitrothiocyanatobenzene | 2,4-dinitro-1-thiocyanatobenzene : A thiocyanate compound having a 2,4-dinitrophenyl group attached to the sulfur atom. | C-nitro compound; thiocyanates | hapten; tolerogen |
daminozide | daminozide: induces tumors | straight-chain fatty acid | |
vincamine | Vincamine: A major alkaloid of Vinca minor L., Apocynaceae. It has been used therapeutically as a vasodilator and antihypertensive agent, particularly in cerebrovascular disorders. | alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid | antihypertensive agent; metabolite; vasodilator agent |
4-hydroxyazobenzene | 4-hydroxyazobenzene: structure in first source | ||
ioxynil | ioxynil : A nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5. ioxynil: RN given refers to parent cpd; structure | iodophenol; nitrile | environmental contaminant; herbicide; xenobiotic |
bromoxynil | 3,5-dibromo-4-hydroxybenzonitrile : A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4. bromoxynil: RN given refers to parent cpd; structure | dibromobenzene; hydroxynitrile; phenols | environmental contaminant; herbicide; xenobiotic |
bromoxynil octanoate | |||
clopyralid | clopyralid : An organochlorine pesticide having a 3,6-dichlorinated picolinic acid structure. | organochlorine pesticide; pyridines | herbicide |
bromocyclen | bromocyclene: structure | organochlorine compound | |
2,3,7,8-tetrachlorodibenzodioxine | Tetrachlorodibenzodioxin: A mixture of isomers. | polychlorinated dibenzodioxine | |
2-amino-6-methoxybenzothiazole | 2-amino-6-methoxybenzothiazole: RN given refers to parent cpd | ||
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 | ||
pentachloromethylthiobenzene | |||
pentachloroanisole | |||
(2-hydroxy-4-(octyloxy)phenyl)phenylmethanone | 2-hydroxy-4-octyloxybenzophenone: exhibits pseudo-positive initiation activity in carcinogenesis; structure in first source | benzophenones | |
tetrachloroisophthalonitrile | chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops. tetrachloroisophthalonitrile: structure | aromatic fungicide; dinitrile; tetrachlorobenzene | antifungal agrochemical |
picloram | picloram : A pyridinemonocarboxylic acid that is pyridine-2-carboxylic acid which is substituted by a chloro group at positions 3,5 and 6, and by an amino group at position 4. It is a systemic herbicide used to control deeply rooted herbaceous weeds and woody plants in rights-of-way, forestry, range lands, pastures, and small grain crops. Picloram: A picolinic acid derivative that is used as a herbicide. | aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid | herbicide; synthetic auxin |
2-tert-butylhydroquinone | 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. 2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent | hydroquinones | food antioxidant |
dronabinol | Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy. Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound. | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
amiloride | amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid. Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705) | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
diallyl trisulfide | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent | |
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 |
bromophos | bromophos: minor descriptor (72-83); on-line & Index Medicus search ORGANOTHIOPHOSPHORUS COMPOOUNDS (72) & INSECTICIDES (72) & INSECTICIDES, ORGANOTHIOPHOSPHATE (73-83); structure | organic thiophosphate | |
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 |
guanoxan | guanoxan: was MH 1976-92 (see under GUANIDINES 1976-90); use GUANIDINES to search GUANOXAN 1976-92; antihypertensive agent similar in its mechanism of action to guanethidine; may cause liver damage | benzodioxine | |
azaribine | azaribine : A N-glycosyl-1,2,4-triazine that is 6-azauridine acetylated at positions 2', 3' and 5' on the sugar ring. It is a prodrug for 6-azauridine and is used for treatment of psoriasis. azaribine: pyrimidine analogue; anti-metabolite used in psoriasis & mycosis fungoides; | acetate ester; N-glycosyl-1,2,4-triazine | antipsoriatic; prodrug |
diallyl disulfide | diallyl disulfide : An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium. diallyl disulfide: major constituent of garlic oil | organic disulfide | antifungal agent; antineoplastic agent; plant metabolite |
(nitrilotris(methylene))triphosphonic acid | (nitrilotris(methylene))triphosphonic acid: RN given refers to parent cpd; an antiscalant | phosphonoacetic acid | |
phenethyl isothiocyanate | phenethyl isothiocyanate : An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. phenethyl isothiocyanate: a dietary liver aldehyde dehydrogenase inhibitor; promotes urinary bladder carcinoma | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
ethoxazene | azobenzenes | ||
fluorescein | fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy. Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor. | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
3,4-dichlorophenylurea | 3,4-dichlorophenylurea: structure in first source diuron-desdimethyl : A member of the class of ureas that is urea substituted by a 3,4-dichlorophenyl group at position 1. It is a metabolite of the herbicide diuron. | dichlorobenzene; phenylureas | marine xenobiotic metabolite |
methyl thioglycolate | methyl thioglycolate: RN given refers to parent cpd | ||
mirex | Mirex: An organochlorine insecticide that is carcinogenic. | chlorocarbon; organochlorine insecticide | persistent organic pollutant |
thioflavin t | thioflavin T cation : A benzothiazolium ion obtained by methylation of the thiazole nitrogen of 2-[4-(dimethylamino)phenyl]-6-methyl-1,3-benzothiazole; the cationic component of thioflavin T. | benzothiazolium ion | |
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 |
2-tert-butyl-4-methylphenol | 2-tert-butyl-4-methylphenol: RN given refers to cpd with locants | ||
captafol | captafol : A dicarboximide that captan in which the trichloromethyl group is replaced by a 1,1,2,2-tetrachloroethyl group. A broad-spectrum fungicide used to control diseases in fruit and potatoes, it is no longer approved for use in the European Community. captafol: RN given refers to cpd with specified chlorine locants | isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide | antifungal agrochemical |
1,4-bis(2,3-epoxypropoxy)butane | |||
n-butyl glycidyl ether | n-butyl glycidyl ether: structure | ||
beta-citronellene | beta-citronellene: structure in first source | ||
2,4,2',4'-tetrachlorobiphenyl | 2,2',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines. 2,4,2',4'-tetrachlorobiphenyl: structure | dichlorobenzene; tetrachlorobiphenyl | |
alpha-terpineol | terpineol : A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent. | terpineol | plant metabolite |
dodine | 1-dodecylguanidine acetate : An acetate salt resulting from the reaction of equimolar amounts of 1-dodecylguanidine and acetic acid. It is used as a fungicide to control black spot and foliar diseases on apples, pears, peaches, nectarines and strawberries. dodine: RN given refers to parent cpd; structure | acetate salt; aliphatic nitrogen antifungal agent | antibacterial agent; antifungal agrochemical |
sulfadoxine | sulfadoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial. Sulfadoxine: A long acting sulfonamide that is used, usually in combination with other drugs, for respiratory, urinary tract, and malarial infections. | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
1,3,5-triglycidyl-s-triazinetrione | |||
benzophenoneidum | auramine O : A hydrochloride obtained by combining 4,4'-carbonimidoylbis(N,N-dimethylaniline) with one molar equivalent of hydrogen chloride. A fluorescent stain for demonstrating acid fast organisms in a method similar to the Ziehl Neelsen. It also can be used to make a fluorescent Schiff reagent. Benzophenoneidum: An aniline dye used as a disinfectant and an antiseptic agent. It is weakly fluorescing and binds specifically to certain proteins. | hydrochloride | fluorochrome; histological dye |
disperse blue 1 | anthraquinone | ||
4-(octyloxy)benzoic acid | benzoic acids | ||
antazoline hydrochloride | |||
3-(trimethoxysilyl)propyl methacrylate | 3-(trimethoxysilyl)propyl methacrylate: structure in first source | ||
benzyl acetone | benzyl acetone: a dominant floral attractant | ketone | |
direct red 81 | Direct Red 81: RN given refers to disodium salt; structure given in first source Sirius red 4B : An organic sodium salt resulting from the formal condensation of Sirius red 4B (acid form) with two equivalents of sodium hydroxide. Used as the plasma stain in some trichrome staining methods. | ||
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 |
azinphos ethyl | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor | |
bis(4-oxyphenyl)sulfide | 4,4'-thiodiphenol: structure in first source | phenols | |
3-aminofluoranthene | 3-aminofluoranthene: structure given in first source | ||
Cypromid | anilide | ||
bromotriethylstannane | bromotriethylstannane: not the bromide salt of triethyltin; inhibits red cell & yeast hexokinase | ||
isophorone diamine | isophorone diamine: curing agent for polymers; structure given in first source; RN given refers to parent cpd | ||
2-amino-2',5-dichlorobenzophenone | 2-amino-2',5-dichlorobenzophenone: structure given in first source | ||
benzyl thiocyanate | benzyl thiocyanate: increases activities of anhydrotetracycline oxygenase | thiocyanates | |
dichloroacetonitrile | dichloroacetonitrile: by-product of water chlorination; structure given in first source | aliphatic nitrile | |
doxifluridine | doxifluridine : A pyrimidine 5'-deoxyribonucleoside that is 5-fluorouridine in which the hydroxy group at the 5' position is replaced by a hydrogen. It is an oral prodrug of the antineoplastic agent 5-fluorouracil. Designed to circumvent the rapid degradation of 5-fluorouracil by dihydropyrimidine dehydrogenase in the gut wall, it is converted into 5-fluorouracil in the presence of pyrimidine nucleoside phosphorylase. | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
sudan red | |||
dibromoacetonitrile | dibromoacetonitrile: by-product of water chlorination; structure given in first source | aliphatic nitrile | |
octachlorodibenzo-4-dioxin | octachlorodibenzo-4-dioxin: RN given refers to unlabeled parent cpd | polychlorinated dibenzodioxine | |
2,2-bis(bromomethyl)-1,3-propanediol | 2,2-bis(bromomethyl)-1,3-propanediol: structure given in first source | primary alcohol | |
tri-(2-ethylhexyl)trimellitate | tri-(2-ethylhexyl)trimellitate: authors commonly refer to it as trioctyl trimellitate | benzoate ester | |
1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane | 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane: a flame retardant and androgen receptor agonist; structure in first source | ||
fluorescein-5-isothiocyanate | fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques. Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques. | fluorescein isothiocyanate | |
dithianone | dithianon : A naphthodithiin that is 5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin which is substituted by nitrile groups at positions 2 and 3. It is a broad spectrum fungicide used to control scab, downy mildew, rust, and leaf spot in the commercial growing of grapes and other fruit, citrus, coffee, and vegetables. dithianone: structure | dinitrile; naphthodithiin; p-quinones | antifungal agrochemical |
2-chloro-4,6-diamino-s-triazine | chloro-1,3,5-triazine; diamino-1,3,5-triazine | ||
n-(4-dimethylamino-3,5-dinitrophenyl)maleimide | |||
pentaerythrityl triacrylate | pentaerythrityl triacrylate: acrylate derivative found in ultraviolet curing inks; causes contact dermatitis | ||
n-butylbenzenesulfonamide | N-butylbenzenesulfonamide : A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity. N-butylbenzenesulfonamide: a neurotoxic plasticising agent | sulfonamide | neurotoxin; plant metabolite |
chlorophacinone | chlorophacinone: structure | beta-triketone; diarylmethane | |
2-pentylfuran | 2-pentylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks. 2-pentylfuran: structure in first source | furans | Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component |
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 |
bitoscanate | bitoscanate: anthelmintic; minor descriptor (75-83); on-line & Index Medicus search THIOCYANATES (75-83); structure | benzenes | |
2-octanol | 2-octanol: RN given refers to cpd without isomeric designation octan-2-ol : An octanol carrying the hydroxy group at position 2. | octanol; secondary alcohol | plant metabolite; volatile oil component |
clonidine hydrochloride | dichlorobenzene | ||
isobutylparaben | isobutylparaben: structure in first source | 4-hydroxybenzoate ester | |
2,2',4'-trichloroacetophenone | |||
cladribine | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent | |
alpha-tocopherol succinate | hemisuccinate; tocol | ||
mono-(2-ethylhexyl)phthalate | mono-(2-ethylhexyl)phthalate: RN given refers to parent cpd mono(2-ethylhexyl) phthalate : The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. | phthalic acid monoester | |
2,4,5-trimethoxybenzaldehyde | asaronaldehyde: from Piper clusii (Piperaceae); structure in first source | carbonyl compound | |
nitralin | nitralin: structure | C-nitro compound | |
fluorophene | benzamides | ||
1,6-bismaleimidohexane | |||
1-chlorohexadecane | |||
2,3,4,5-tetrachlorophenate | 2,3,4,5-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 5. tetrachlorophenol : A chlorophenol that is phenol in which four of the hydrogens attached to the benzene ring are replaced by chlorines. tetrachlorophenol: RN given refers to cpd with unspecified isomeric designation; see also record for 2,3,4,6-tetrachlorophenol | tetrachlorophenol | xenobiotic metabolite |
estradiol enanthate | steroid ester | ||
oxycarboxin | oxycarboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-4,4-dioxo-1,4-oxathiine-3-carboxylic acid. A fungicide for the control of rust diseases on ornamentals, cereals and nursery trees as well as fairy rings on turf. oxycarboxin: structure | anilide; anilide fungicide; organosulfur heterocyclic compound; oxacycle; sulfone | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
1-hydroxypyrene | 1-hydroxypyrene: pyrene metabolite; RN given refers to parent cpd | pyrenes | |
raspberry ketone | raspberry ketone : A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. rheosmin: an NSAID that blocks NF-kappaB activation; isolated from Pinus densiflora; structure in first source | methyl ketone; phenols | androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite |
buquinolate | |||
1-nitropyrene | nitroarene | carcinogenic agent | |
alverine citrate | citrate salt; organoammonium salt | antispasmodic drug; cholinergic antagonist | |
betamethasone-17,21-dipropionate | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester | antipsoriatic | |
chlorpyrifos-methyl | chlorpyrifos-methyl : An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
o,o-diethyl o-3,5,6-trichloro-2-pyridyl phosphate | |||
isostearate | 16-methylheptadecanoic acid : A methyl-branched fatty acid that is heptadecanoic acid (margaric acid) substituted by a methyl group at position 16. | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | |
limonene | limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA). | cycloalkene; p-menthadiene | human metabolite |
2,2'-dihydroxy-6,6'-dinaphthyldisulfide | 2,2'-dihydroxy-6,6'-dinaphthyldisulfide: structure | ||
diazoline | diazoline : A five-membered organic heteromonocyclic compound containing two nitrogen atoms and a double bond. diazoline: see also record for mebhydroline, RN: 524-81-2 | polymer | |
chlorphenamidine | Chlorphenamidine: An acaricide used against many organophosphate and carbamate resistant pests. It acts as an uncoupling agent and monoamine oxidase inhibitor. | ||
octocrylene | diarylmethane | ||
cyclobenzaprine hydrochloride | cyclobenzaprine hydrochloride : The hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm. | hydrochloride | antidepressant; muscle relaxant |
bromamine acid | bromamine acid: structure given in first source | ||
methylene bis(thiocyanate) | methylene bis(thiocyanate) : A member of the class of thiocyanates that is methane in which two of the hycrogens have been replaced by thiocyanato groups. Used as a biocide for the control of various pathogens and algae in industrial water systems and as a fungicide for the control of surface moulds and sapstain fungi on wood. | thiocyanates | antibacterial agent; fungicide |
c.i. acid red 114, disodium salt | C.I. Acid Red 114: source gives many trade names; structure in first source | ||
3,5,6-trichloro-2-pyridinol | 3,5,6-trichloro-2-pyridinol : A hydroxypyridine that is pyridin-2-ol substituted by chloro groups at positions 3,5 and 6. It is a metabolite of the agrochemical chlorpyrifos. 3,5,6-trichloro-2-pyridinol: RN given refers to parent cpd 3,5,6-trichloropyridine-2-one : A pyridone that is pyridin-2(1H)-one substituted by chloro groups at positions 3, 5 and 6. It is a metabolite of the agrochemical chlorpyrifos. | chloropyridine; hydroxypyridine; pyridone | human urinary metabolite; human xenobiotic metabolite; marine xenobiotic metabolite |
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 |
2,2,4-trimethyl-1,3-pentanediol diisobutyrate | 2,2,4-trimethyl-1,3-pentanediol diisobutyrate: plasticizer in food packing materials; RN given refers to parent cpd; RN in Chemline for Kodaflex: 35763-12-3; structure | diester | |
terodiline | diarylmethane | ||
didecyldimethylammonium chloride | organic molecular entity | ||
isoetharine mesylate | |||
dimethyldodecylbenzylammonium | benzododecinium bromide : The organic bromide salt of benzododecinium. It is a cationic surfactant that has antispetic and disinfectant properties. | organic bromide salt; quaternary ammonium salt | antiseptic drug; disinfectant; surfactant |
tribenzylamine | tribenzylamine: isolated from Humulus lupulus; structure in first source | ||
propionylpromazine hydrochloride | |||
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 |
fenestrel | fenestrel: synonym ORF-4563 refers to Na salt; RN given refers to parent cpd | benzenes | |
sodium pyrophosphate | sodium diphosphate : An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt. sodium pyrophosphate: RN refers to diphosphoric acid, tetra-Na salt; structure | inorganic sodium salt | chelator; food emulsifier; food thickening agent |
potassium dichromate | potassium dichromate : A potassium salt that is the dipotassium salt of dichromic acid. Potassium Dichromate: Chromic acid (H2Cr2O7), dipotassium salt. A compound having bright orange-red crystals and used in dyeing, staining, tanning leather, as bleach, oxidizer, depolarizer for dry cells, etc. Medically it has been used externally as an astringent, antiseptic, and caustic. When taken internally, it is a corrosive poison. | potassium salt | allergen; oxidising agent; sensitiser |
indium trichloride | |||
antimony trichloride | antimony trichloride : An inorganic chloride salt with formula SbCl3. It is used as a reagent for detecting vitamin A and related carotenoids, reacting with the carotenoid to form a blue complex that can be measured by colorimetry (the Carr-Price test). Solutions of antimony trichloride were formerly used for dissolving and removing horn stubs from calves and goats. | antimony molecular entity; inorganic chloride | apoptosis inducer; colorimetric reagent; Lewis acid |
ancitabine | ancitabine : An organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action. Ancitabine: Congener of CYTARABINE that is metabolized to cytarabine and thereby maintains a more constant antineoplastic action. | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
2,2-dibromo-3-nitrilopropionamide | 2,2-dibromo-3-nitrilopropionamide: structure | ||
dialifor | dialifor: insecticide | isoindoles | |
carbendazim | carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
2,2'-dichlorobiphenyl | |||
1,6-hexanediol diacrylate | |||
terbufos | organic thiophosphate; organosulfur compound; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide | |
pyrithione zinc | zinc coordination entity | ||
3-carene | 3-carene: RN given refers to cpd without isomeric designation | monoterpene | |
bisoxatin acetate | bisoxatin acetate: structure given in first source | organic molecular entity | |
parbendazole | parbendazole: anthelmintic used against a variety of gastrointestinal parasites; minor descriptor (75-86); on-line & INDEX MEDICUS search BENZIMIDAZOLES; RN given refers to parent cpd | benzimidazoles; carbamate ester | |
clioxanide | clioxanide: structure | ||
selegiline | Selegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl. | selegiline; terminal acetylenic compound | geroprotector |
clemastine | clemastine : 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions. Clemastine: A histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness. | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
devrinol | devrinol: structure N,N-diethyl-2-(naphthalen-1-yloxy)propanamide : A monocarboxylic acid amide that is propanamide substituted by two ethyl groups at the nitrogen atom and a naphthalen-1-yloxy group at position 2. napropamide : A racemate composed of equimolar amounts of (S)- and (R)-napropamide. | aromatic ether; monocarboxylic acid amide; naphthalenes | |
1-(2,6-dichlorophenyl)indolin-2-one | 1-(2,6-dichlorophenyl)indolin-2-one: structure in first source | ||
fluorodifen | fluorodifen: structure | aromatic ether | |
pizotyline | pizotifen : A benzocycloheptathiophene that is 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene 4-ylidene)-1-methylpiperidine which is joined from the 4 position to the 4 position of an N-methylpiperidine moiety by a double bond. It is a sedating antihistamine, with strong serotonin antagonist and weak antimuscarinic activity. It is generally used as the malate salt for the treatment of migraine and the prevention of headache attacks during cluster periods. Pizotyline: Serotonin antagonist used against MIGRAINE DISORDERS and vascular headaches. | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
trimethylolpropane triacrylate | trimethylolpropane triacrylate: acrylate derivative found in ultraviolet curing inks; causes contact dermatitis | carbonyl compound | |
2,3,4-trichlorophenol | 2,3,4-trichlorophenol: structure in first source | ||
thenalidine | thenalidine: antihistaminic, antipruritic; RN in Chemline for thenalidine calcium: 67250-62-8; structure | dialkylarylamine; tertiary amino compound | |
ornidazole | ornidazole : A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 3-chloro-2-hydroxypropyl and methyl groups, respectively. It is used in the treatment of susceptible protozoal infections and for the treatment of anaerobic bacterial infections. Ornidazole: A nitroimidazole antiprotozoal agent used in ameba and trichomonas infections. It is partially plasma-bound and also has radiation-sensitizing action. | C-nitro compound; imidazoles; organochlorine compound; secondary alcohol | antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope |
fluoroboric acid | boron fluoride | ||
edifenphos | edifenphos : An organic thiophosphate that is the O-ethyl-S,S-diphenyl ester of phosphorodithioic acid. Used to control a variety of fungal diseases on rice including blast, ear blight and stem rot. Edifenphos is moderately toxic to mammals and fish but poses more of a risk to aquatic invertebrates. edifenphos: structure | organic thiophosphate | antifungal agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin; phospholipid biosynthesis inhibitor |
danazol | Danazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders. | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
tomatine | alpha-tomatine: in tomato fruits and vegetative plant tissues; structure in first source | alkaloid antibiotic; glycoalkaloid; glycoside; steroid alkaloid; tetrasaccharide derivative | antifungal agent; immunological adjuvant; phytotoxin |
deslanoside | deslanoside : A cardenolide glycoside that is lanatoside C with the acetoxy group replaced by a hydroxy group. Deslanoside: Deacetyllanatoside C. A cardiotonic glycoside from the leaves of Digitalis lanata. | 12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite |
clonixin | clonixin : A pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a (2-methyl-3-chlorophenyl)amino group. Used (as its lysine salt) for treatment of renal colic, muscular pain and moderately severe migraine attacks. Clonixin: Anti-inflammatory analgesic. | aminopyridine; organochlorine compound; pyridinemonocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent |
n-(cyclohexylthio)phthalimide | N-(cyclohexylthio)phthalimide: water pollutant | ||
benomyl | aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator | |
tetraethylene glycol diacrylate | |||
fenclozic acid | fenclozic acid: an analgesic & antipyretic with anti-inflammatory properties; minor descriptor (75-86); on-line & INDEX MEDICUS search THIAZOLES (75-86); RN given refers to parent cpd | ||
iodofenphos | organic thiophosphate | ||
isopropyl 4,4'-dibromobenzilate | isopropyl 4,4'-dibromobenzilate: active substance in fumigant strips for mites | ||
decoquinate | Decoquinate: A coccidiostat for poultry. | ||
methabenzthiazuron | benzothiazoles | ||
streptozocin | N-acylglucosamine; N-nitrosoureas | antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite | |
oryzalin | oryzalin : A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group. oryzalin: a dinitroaniline; preemergence herbicide; structure | aromatic amine; C-nitro compound; sulfonamide; tertiary amino compound | agrochemical; antimitotic; herbicide |
1-deoxynojirimycin | 1-deoxy-nojirimycin: structure in first source duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. | 2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid | anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite |
oxadiazon | oxadiazon: manufactured by the Societe Rhone-poulenc, France; structure | aromatic ether | |
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 |
razoxane | Razoxane: An antimitotic agent with immunosuppressive properties. | N-alkylpiperazine | |
2-(thiocyanomethylthio)benzothiazole | 2-(thiocyanomethylthio)benzothiazole: structure given in first source | ||
leptophos | leptophos : A racemate comprising equimolar amounts of (R)- and (S)-leptophos. It is an organothiophosphate insecticide that shows neurotoxic effect in humans. Leptophos: An organothiophosphate insecticide. O-(4-bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate : An organic phosphonate that is phenylphosphonothioic O,O-acid in which the hydroxy groups are substituted by methoxy and 4-bromo-2,5-dichlorophenoxy groups. | bromobenzenes; dichlorobenzene; organic phosphonate; phosphonic ester | |
lifibrate | lifibrate: hypolipemic, hypocholesteremic agent; minor descriptor (75-82); online & Index Medicus search GLYCOLATES (75-82) | ||
fenamiphos | organophosphate insecticide; organophosphate nematicide; phosphoramidate ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor | |
carbimazole | carbimazole : A member of the class of imidazoles that is methimazole in which the nitrogen bearing a hydrogen is converted into its ethoxycarbonyl derivative. A prodrug for methimazol, carbimazole is used for the treatment of hyperthyroidism. Carbimazole: An imidazole antithyroid agent. Carbimazole is metabolized to METHIMAZOLE, which is responsible for the antithyroid activity. | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
2-bromoergocryptine mesylate | methanesulfonate salt | antiparkinson drug | |
bromocriptine | Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion. | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
fenitrothion | fenitrothion : An organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4. Fenitrothion: An organothiophosphate cholinesterase inhibitor that is used as an insecticide. | C-nitro compound; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
cetalkonium chloride | cetalkonium chloride: Note: Bonjela is a multimeaning drug name. | ||
zingerone | zingerone : A methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by methoxy and hydroxy groups respectively. The major pungent component in ginger. zingerone: pungent principle of ginger; structure | methyl ketone; monomethoxybenzene; phenols | anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent |
1,2-diphenylhydrazine | |||
phenoxyethanol | 2-phenoxyethanol : An aromatic ether that is phenol substituted on oxygen by a 2-hydroxyethyl group. phenoxyethanol: structure | aromatic ether; glycol ether; primary alcohol | antiinfective agent; central nervous system depressant |
cetylpyridinium chloride anhydrous | cetylpyridinium chloride : A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat. tserigel: according to first source contains polyvinylbutyral & cetylpyridinium chloride; UD only lists cetylpyridinium chloride as constituent | chloride salt; organic chloride salt | antiseptic drug; surfactant |
4-chlorophenyl methyl sulfide | 4-chlorophenyl methyl sulfide: structure given in first source | ||
paraldehyde | paraldehyde : A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. Paraldehyde: A hypnotic and sedative with anticonvulsant effects. However, because of the hazards associated with its administration, its tendency to react with plastic, and the risks associated with its deterioration, it has largely been superseded by other agents. It is still occasionally used to control status epilepticus resistant to conventional treatment. (From Martindale, The Extra Pharmacopoeia, 30th ed, p608-9) | trioxane | sedative |
cetyldimethylethylammonium bromide | |||
oxyphenisatin | indoles | ||
tris(2,3-dibromopropyl)phosphate | tris(2,3-dibromopropyl)phosphate: flame retardant | trialkyl phosphate | |
2,4,7,9-tetramethyl-5-decyne-4,7-diol | 2,4,7,9-tetramethyl-5-decyne-4,7-diol: a non-ionic surfactant; structure in first source | ||
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 |
butylated hydroxytoluene | 2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
1,4-diaminoanthraquinone | |||
pyrene | pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. pyrene: structure in Merck Index, 9th ed, #7746 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
2-methyl-1-nitroanthraquinone | anthraquinone | ||
rafoxanide | Rafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations. | ||
benzonidazole | benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease. benzonidazole: used in treatment of Chagas' disease | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
butachlor | butachlor : An aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group. | aromatic amide; organochlorine compound; tertiary carboxamide | environmental contaminant; herbicide; xenobiotic |
triazophos | triazophos: structure | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
rose bengal b disodium salt | |||
propamocarb | propamocarb : A carbamate ester that is the propyl ester of 3-(dimethylamino)propylcarbamic acid. It is a systemic fungicide, used (normally as the hydrochloride salt) for the control of soil, root and leaf diseases caused by oomycetes, particularly Phytophthora and Pythium species. propamocarb: RN given refers to parent cpd | carbamate ester; carbamate fungicide; tertiary amino compound | antifungal agrochemical; environmental contaminant; xenobiotic |
2-chlorodibenzofuran | 2-chlorodibenzofuran: structure | ||
clobetasol propionate | clobetasol propionate : The 17-O-propionate ester of clobetasol. A potent corticosteroid, it is used to treat various skin disorders, including exzema and psoriasis. Clobetasol Propionate: This is the form in trademark preparations. | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid | anti-inflammatory drug |
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | anthracycline | ||
2-hexyldecanoic acid | 2-hexyldecanoic acid: viscous oil | medium-chain fatty acid | |
cambendazole | Cambendazole: A nematocide effective against a variety of gastrointestinal parasites in cattle, sheep, and horses. | ||
frentizole | frentizole: RN given refers to parent cpd | ||
2-n-octyl-4-isothiazolin-3-one | octhilinone : A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union. | 1,2-thiazoles | antibacterial agent; antifungal agrochemical; environmental contaminant; xenobiotic |
halofenate | Halofenate: An antihyperlipoproteinemic agent and uricosuric agent. | ||
lofepramine hydrochloride | hydrochloride | antidepressant | |
penfluridol | Penfluridol: One of the long-acting ANTIPSYCHOTIC AGENTS used for maintenance or long-term therapy of SCHIZOPHRENIA and other PSYCHOTIC DISORDERS. | diarylmethane | |
amineptin | amineptin: used in treatment of neuroses with psychoasthenic, anxio-phobic & depressive manifestations; synonym S 1694 refers to HCl; structure amineptine : A carbocyclic fatty acid that is 5-aminoheptanoic acid in which one of the hydrogens attached to the nitrogen is replaced by a 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl group. A tricyclic antidepressant, it was never approved in the US and was withdrawn from the French market in 1999 due to concerns over abuse, dependence and severe acne. | amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound | antidepressant; dopamine uptake inhibitor |
1,2,3,4-tetrachlorodibenzodioxin | 1,2,3,4-tetrachlorodibenzodioxin: structure given in first source | polychlorinated dibenzodioxine | |
feprazone | Feprazone: A pyrazole that has analgesic, anti-inflammatory, and antipyretic properties. It has been used in mild to moderate pain, fever, and inflammation associated with musculoskeletal and joint disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p15) | organic molecular entity | |
pcb 118 | dichlorobenzene; pentachlorobiphenyl; trichlorobenzene | ||
pbde 99 | 2,4-dibromophenyl 2,4,5-tribromophenyl ether : A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines. | polybromodiphenyl ether | |
3,4,3',4'-tetrachlorobiphenyl | 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines. 3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd | dichlorobenzene; tetrachlorobiphenyl | |
2,3,3',4,4'-pentachlorobiphenyl | dichlorobenzene; pentachlorobiphenyl; trichlorobenzene | ||
procymidone | procymidone : An azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases. | ||
proroxan | proroxan: Russian drug; RN given refers to parent cpd; structure | ||
paclitaxel | Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
amitraz | amitraz : A tertiary amino compound that is 1,3,5-triazapenta-1,4-diene substituted by a methyl group at position 3 and 2,4-dimethylphenyl groups at positions 1 and 5. amitraz: ixodicide (tick control); structure | formamidines; tertiary amino compound | acaricide; environmental contaminant; insecticide; xenobiotic |
u 40481 | N'-(2,4-dimethylphenyl)-N-methylformamidine : A member of the class of formamidines that is N-methylimidoformamide in which the hydrogen attached to the nitrogen atom has been replaced by a 2,4-dimethylphenyl group. It is a metabolite of the insecticide amitraz. U 40481: RN given refers to parent cpd | benzenes; formamidines | marine xenobiotic metabolite |
2,3,4,5-tetrachlorobiphenyl | tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4. | tetrachlorobenzene; tetrachlorobiphenyl | |
etoposide | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor | |
dobutamine | dobutamine : A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure. Dobutamine: A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY. | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
1,2,7,8-tetrachlorodibenzo-p-dioxin | 1,2,7,8-tetrachlorodibenzo-p-dioxin: structure in first source | ||
2,4,5,2',4',5'-hexachlorobiphenyl | hexachlorobiphenyl | ||
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 | |||
halofantrine | halofantrine: used in treatment of mild to moderate acute malaria | phenanthrenes | |
ribavirin | Rebetron: Rebetron is tradename | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
dichlormid | dichlormid: antidote for EPTC injury in corn; structure | tertiary carboxamide | |
isovelleral | isovelleral: structure given in first source | aldehyde | |
2,3,4,2',3',4'-hexachlorobiphenyl | |||
2,3,3',4,4',5-hexachlorobiphenyl | dichlorobenzene; hexachlorobiphenyl; tetrachlorobenzene | ||
aroclor 1016 | |||
10-carboxymethyl-9-acridanone | 10-carboxymethyl-9-acridanone: RN given refers to parent cpd | acridines | |
2,8-dichlorodibenzo-4-dioxin | 2,8-dichlorodibenzo-4-dioxin: metabolite for 2,3,7,8-TCDD | ||
1,2,3,4,7,8-hexachlorodibenzodioxin | 1,2,3,4,7,8-hexachlorodibenzodioxin: structure given in first source | polychlorinated dibenzodioxine | |
1,2,4-trichlorodibenzo-1,4-dioxin | 1,2,4-trichlorodibenzo-1,4-dioxin: structure given in first source | ||
cyphenothrin | cyphenothrin: RN given refers to unlabeled cpd without isomeric designation | cyclopropanecarboxylate ester | agrochemical; pyrethroid ester insecticide |
3-phenoxybenzaldehyde | |||
perfosfamide | 4-hydroperoxycyclophosphamide : A phosphorodiamide that is the active metabolite of the nitrogen mustard cyclophosphamide. It has potent antineoplastic and immunosuppressive properties. | nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide | alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite |
4-hexyloxyaniline | aromatic ether; substituted aniline | ||
1,2,3,7,8-pentachlorodibenzo-p-dioxin | polychlorinated dibenzodioxine | ||
profenofos | monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor | |
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 | |
diltiazem | diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions. | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
bifenox | nitrobenzoic acid | ||
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 | |
1-methyl-4-phenylpyridinium | 1-Methyl-4-phenylpyridinium: An active neurotoxic metabolite of 1-METHYL-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE. The compound reduces dopamine levels, inhibits the biosynthesis of catecholamines, depletes cardiac norepinephrine and inactivates tyrosine hydroxylase. These and other toxic effects lead to cessation of oxidative phosphorylation, ATP depletion, and cell death. The compound, which is related to PARAQUAT, has also been used as an herbicide. N-methyl-4-phenylpyridinium : A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position. | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
nonachlazine | |||
lonidamine | lonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively. lonidamine: structure | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector |
vinclozolin | 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione : A member of the class of oxazolidinones that is 5-ethenyl-5-methyl-2,4-oxazolidinedione in which the imide hydrogen is replaced by a 3,5-dichlorophenyl group. vinclozolin : A racemate comprising equimolar amounts of (R)- and (S)-vinclozolin. A fungicide used mainly on oilseed rape, vines, fruit and vegetables to control Botrytis, Sclerotinia and Monilia spp. | dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone | |
2,3,7,8-tetrabromodibenzo-4-dioxin | 2,3,7,8-tetrabromodibenzo-4-dioxin: structure given in first source 2,3,7,8-tetrabromodibenzodioxine : An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8. | dibenzodioxine; organobromine compound | |
2,3,7,8-tetrachlorodibenzofuran | 2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol | polychlorinated dibenzofuran | |
dichlorfop-methyl | dichlorfop-methyl: structure; herbicide for control of wild oat & foxtails in cereal crops diclofop-methyl : A racemate composed of equimolar amounts of (R)- and (S)-diclofop-methyl. A proherbicide for diclofop, it is used for the control of wild oats and annual weeds in wheat, barley, rye and broad-leaved crops. methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate : A methyl ester resulting from the formal condensation of the carboxylic acid group of 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid with methanol. | aromatic ether; dichlorobenzene; diether; methyl ester | |
thidiazuron | ureas | ||
permethrin | hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
exifone | benzophenones | ||
decamethrin | decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
Nanaomycin | benzoisochromanequinone | ||
mefloquine | (-)-(11S,2'R)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown. | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
oxfendazole | benzimidazoles; carbamate ester; sulfoxide | antinematodal drug | |
desogestrel | Desogestrel: A synthetic progestational hormone used often as the progestogenic component of combined oral contraceptive agents (ORAL CONTRACEPTIVES, COMBINED). | 17beta-hydroxy steroid; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
etofylline clofibrate | etofylline clofibrate: whole issue; structure given in first source | oxopurine | |
nicardipine hydrochloride | dihydropyridine | geroprotector | |
3,3',5,5'-tetramethylbenzidine | T1023: radioprotective NO-Synthase Inhibitor | ||
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 |
dibutylaminosulfenylcarbofuran | dibutylaminosulfenylcarbofuran: RN given refers to cpd with unspecified thio moieties | 1-benzofurans; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
triclopyr | trichlopyr : A monocarboxylic acid that is (pyridin-2-yloxy)acetic acid substituted by chloro groups at positions 3, 5 and 6. It is an agrochemical used as a herbicide. | aromatic ether; chloropyridine; monocarboxylic acid | agrochemical; environmental contaminant; herbicide; xenobiotic |
nitazoxanide | nitazoxanide: a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrug | benzamides; carboxylic ester | |
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 |
2,3,4,7,8-pentachlorodibenzofuran | 2,3,4,7,8-pentachlorodibenzofuran: structure given in first source | polychlorinated dibenzofuran | |
1,2,3,7,8-pentachlorodibenzofuran | 1,2,3,7,8-pentachlorodibenzofuran: structure given in first source; RN given refers to parent cpd | polychlorinated dibenzofuran | |
furalaxyl | furalaxyl : A racemate comprising equal amounts of (R)- and (S)-furalaxyl. A systemic fungicide with protective and curative properties. It is effective against damping-off and root rot diseases caused by Pythium and Phytophthora fungi which inhabit the soil and infect many ornamental flowers, shrubs and trees. furalaxyl: Industrial Fungicide; structure in first source methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate : An alanine derivative that is the N-furoyl derivative of methyl N-(2,6-dimethylphenyl)alaninate | alanine derivative; aromatic amide; carboxamide; furans; methyl ester | |
closantel | closantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections. closantel: structure N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively. | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
dinaline | dinaline: structure given in first source | ||
laurocapram | laurocapram: enhances percutaneous absorption of different chemicals; structure given in first source | ||
midazolam hydrochloride | midazolam hydrochloride : The hydrochloride salt of midazolam. | hydrochloride; imidazobenzodiazepine | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
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 |
Nitrothal-isopropyl | diester; isopropyl ester; nitrobenzoic acid | ||
paroxetine | paroxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression. | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
staurosporine | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector | |
7-methylbenzo(a)pyrene | |||
bromethalin | C-nitro compound | ||
fenpropathrin, (+-)-isomer | fenpropathrin : A cyclopropanecarboxylate ester obtained by formal condensation between 2,2,3,3-tetramethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. fenpropathrin: RN given refers to cpd without isomeric designation | aromatic ether; cyclopropanecarboxylate ester | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
butoconazole nitrate | butoconazole nitrate : An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans. | aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt | |
lidamidine | lidamidine: synonym WHR-1142A refers to HCl; structure | ureas | |
pergolide | pergolide : A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. Pergolide: A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES. | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
flutolanil | flutolanil : A member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-(trifluoromethyl)benzoic acid with the amino group of 3-(ispropyloxy)aniline. A fungicide used to control a range of pathogens especially Rhizoctonia spp. on rice, turf and other crops. | (trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
colforsin | Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
bicifadine | bicifadine: a nonopioid analgesic that modulates the monoaminergic pathways involved in pain | ||
cefadroxil anhydrous | cefadroxil : A cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. Cefadroxil: Long-acting, broad-spectrum, water-soluble, CEPHALEXIN derivative. | cephalosporin | antibacterial drug |
fluperlapine | fluperlapine: structure given in first source | benzazepine | |
triclabendazole | aromatic ether | ||
tiotidine | tiotidine: UD gives slightly different structure for this cpd; RN given refers to parent cpd; structure in first source | thiazoles | |
r 6597 | 2-nitronaphtho(2,1-b)furan: structure given in first source | ||
buprofezin | (E)-buprofezin : A 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one in which the C=N double bond has E configuration. buprofezin : A 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one in which the C=N double bond has Z configuration. buprofezin: tradename - Applaud; used for the control of homopterous insect pests; structure given in first source | thiadiazinane; ureas | |
sulbactam pivoxyl | |||
fluvalinate | fluvalinate: RN given refers to 2-cyano isomer (DL)-isomer | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
haloxyfop | 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid : A monocarboxylic acid that is 2-phenoxypropanoic acid in which the hydrogen at the para position of the phenyl ring has been replaced by a [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy group. haloxyfop : A racemate comprising equimolar amounts of haloxyfop-P (the more active, R enantiomer) and (S)-haloxyfop (the less active enantiomer). A post-emergence herbicide used to control annual and perennial grass weeds. Commercial use of the racemate was phased out in favour of the most active enantiomer, used as the proherbicide esters haloxyfop-P-methyl and haloxyfop-P-etotyl. haloxyfop: RN given refers to parent cpd | aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines | |
doxofylline | doxofylline : An oxopurine that is a derivative of xanthine, methylated at N-1 and N-3 and carrying a 1,3-dioxolan-2-ylmethyl group at N-7, used in the treatment of asthma. | oxopurine | anti-asthmatic drug; antitussive; bronchodilator agent |
mitoxantrone hydrochloride | hydrochloride | antineoplastic agent | |
daurisoline | daurisoline: antiarrhythmic from Menispermun dahuricum; structure in first source | isoquinolines | |
1,2,3,4,7,8-hexachlorodibenzofuran | polychlorinated dibenzofuran | ||
flurofamide | flurofamide: structure given in first source | carbonyl compound; organohalogen compound | |
benalaxyl | benalaxyl : A racemate comprising equal amounts of (R)- and (S)-benalaxyl. benalaxyl: RN given refers to (DL)-isomer; structure given in first source methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate : An alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate | alanine derivative; aromatic amide; carboxamide; methyl ester | |
fenoxycarb | fenoxycarb : A carbamate ester that is the O-ethyl carbamate of 2-(4-phenoxyphenoxy)ethylamine. fenoxycarb: used against mosquitoes (Diptera:Culicidae); structure given in first source | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
2,3,4,4'5-pentachlorobiphenyl | monochlorobenzenes; pentachlorobiphenyl; tetrachlorobenzene | ||
lovastatin | lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver. | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
rimcazole dihydrochloride, (cis)-isomer | |||
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 | |||
quizalofop-ethyl | ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate : An ethyl ester resulting from the formal condensation of the carboxy group of 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid with ethanol. quizalofop-ethyl : A racemate coprising equimolar amounts of quizalofop-P-ethyl and its enantiomer, (S)-quizalofop-ethyl. A proherbicide for quizalofop. quizalofop-ethyl: RN given refers to parent cpd | aromatic ether; ethyl ester; organochlorine compound; quinoxaline derivative | |
3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone | 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone: structure given in first source | butenolide | |
loceryl | amorolfine : A member of the class of morpholines that is cis-2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a racemic 2-methyl-3-[p-(2-methylbutan-2-yl)phenyl]propyl group. An inhibitor of the action of squalene monooxygenase, Delta(14) reductase and D7-D8 isomerase and an antifungal agent, it is used (generally as its hydrochloride salt) for the topical treatment of fungal nail and skin infections. amorolfine: RN given refers to parent cpd | morpholine antifungal drug; tertiary amino compound | EC 1.14.13.132 (squalene monooxygenase) inhibitor; EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
azelastine hydrochloride | azelastine hydrochloride : The hydrochloride salt of azelastine. | hydrochloride | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
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 |
idazoxan | idazoxan : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group. Idazoxan: A benzodioxane-linked imidazole that has alpha-2 adrenoceptor antagonist activity. | benzodioxine; imidazolines | alpha-adrenergic antagonist |
fluroxypyr methylheptyl ester | fluroxypyr methylheptyl ester: XRM-5084 is made up of 34.9% fluroxypyr methylheptyl ester and 65.1% proprietary emulsifier; used for the control of broadleaf vegetation | ||
cabergoline | cabergoline : An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia. Cabergoline: An ergoline derivative and dopamine D2-agonist that inhibits PROLACTIN secretion. It is used in the management of HYPERPROLACTINEMIA, and to suppress lactation following childbirth for medical reasons. Cabergoline is also used in the management of PARKINSON DISEASE. | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
atomoxetine hydrochloride | atomoxetine hydrochloride : The hydrochloride salt of atomoxetine. Atomoxetine Hydrochloride: A propylamine derivative and selective ADRENERGIC UPTAKE INHIBITOR that is used in the treatment of ATTENTION DEFICIT HYPERACTIVITY DISORDER. | hydrochloride | adrenergic uptake inhibitor; antidepressant |
atomoxetine | atomoxetine : A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
raloxifene hydrochloride | raloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride. Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue. | hydrochloride | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
nefazodone hydrochloride | hydrochloride | ||
mifepristone | Mifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME. | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
itraconazole | itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis. Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis. | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor |
pinacidil | organic molecular entity | ||
quinpirole hydrochloride | |||
nitrogenase stabilizing-protective protein, bacteria | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | androgen antagonist; antineoplastic agent | |
pravadoline | |||
tzu 0460 | TZU 0460: RN given refers to HCl; structure given in first source | piperidines | |
ranolazine | N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide : An aromatic amide obtained by formal condensation of the carboxy group of 2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetic acid with the amino group of 2,6-dimethylaniline. ranolazine : A racemate comprising equal amounts of (R)- and (S)-ranolazine. Used for treatment of chronic angina. Ranolazine: An acetanilide and piperazine derivative that functions as a SODIUM CHANNEL BLOCKER and prevents the release of enzymes during MYOCARDIAL ISCHEMIA. It is used in the treatment of ANGINA PECTORIS. | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
quinelorane | quinelorane: LY 175887 is dextrorotary isomer; LY 137157 is a racemic mixture | quinazolines | |
imiquimod | imiquimod : An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis. Imiquimod: A topically-applied aminoquinoline immune modulator that induces interferon production. It is used in the treatment of external genital and perianal warts, superficial CARCINOMA, BASAL CELL; and ACTINIC KERATOSIS. | imidazoquinoline | antineoplastic agent; interferon inducer |
n 0437, (-)-isomer | rotigotine: Antiparkinson Agent and dopamine receptor agonist; structure given in first source; RN given refers to cpd without isomeric designation | tetralins | |
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 |
adapalene | adapalene : A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. Adapalene: A naphthalene derivative that has specificity for RETINOIC ACID RECEPTORS. It is used as a DERMATOLOGIC AGENT for the treatment of ACNE. | adamantanes; monocarboxylic acid; naphthoic acid | dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug |
sparfloxacin | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone; quinolone antibiotic | ||
amlodipine besylate | amlodipine benzenesulfonate : The benzenesulfonate salt of amlodipine. | organosulfonate salt | antihypertensive agent; calcium channel blocker; vasodilator agent |
pioglitazone hydrochloride | aromatic ether | ||
mibefradil dihydrochloride | |||
mibefradil | Mibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE. | tetralins | T-type calcium channel blocker |
topotecan hydrochloride | |||
eliprodil | 1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol : A member of the class of piperidines that is piperidine substituted by a 2-(4-chlorophenyl)-2-hydroxyethyl group at position 1 and by a 4-fluorobenzyl group at position 4. | monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound | |
tenidap | tenidap: structure given in first source; RN refers to (Z)-isomer | ||
gemcitabine hydrochloride | hydrochloride; organofluorine compound | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent | |
temoporfin | temoporfin: used as PHOTOCHEMOTHERAPY | ||
ibutilide | ibutilide: RN & structure in first source; RN refers to the fumarate salt | benzenes; organic amino compound | |
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 |
monatepil | monatepil: structure in first source; RN refers to 1:1 maleate salt (AJ 2615) | dibenzothiepine | |
atorvastatin calcium anhydrous | organic calcium salt | ||
atorvastatin | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic | |
duloxetine hydrochloride | (S)-duloxetine hydrochloride : A duloxetine hydrochloride in which the duloxetine moiety has S configuration. Duloxetine Hydrochloride: A thiophene derivative and selective NEUROTRANSMITTER UPTAKE INHIBITOR for SEROTONIN and NORADRENALINE (SNRI). It is an ANTIDEPRESSIVE AGENT and ANXIOLYTIC, and is also used for the treatment of pain in patients with DIABETES MELLITUS and FIBROMYALGIA. | duloxetine hydrochloride | antidepressant |
duloxetine | duloxetine | ||
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 | |
saquinavir monomethanesulfonate | organic molecular entity | ||
Phenylmethyl benzeneacetate | carboxylic ester | ||
4-(4-Methoxyphenyl)-2-butanone | methoxybenzenes | ||
phenelzine sulfate | organic molecular entity | ||
octyl gallate | gallate ester | food antioxidant; hypoglycemic agent; plant metabolite | |
propyltrimethoxysilane | |||
sudan black b | Sudan black B : A member of the class of perimidines that is 2,2-dimethyl-2,3-dihydro-1H-perimidine carrying a [4-(phenyldiazenyl)naphthalen-1-yl]diazenyl substituent at position 6. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections. | azobenzenes; bis(azo) compound; perimidines | histological dye |
coomassie brilliant blue r | kenacid blue: RN given refers to cpd with unknown MF | ||
acetyl tert-butyl dimethylindan | acetyl tert-butyl dimethylindan: musk fragrance; structure given in first source | indanes | |
1,2-dibromo-2,4-dicyanobutane | 1,2-dibromo-2,4-dicyanobutane: biocide used in glue implicated in contact dermatitis; euxyl K 400 is a 2-phenoxyethanol mixture 2-bromo-2-(bromomethyl)pentanedinitrile : An organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at position 2. | aliphatic nitrile; organobromine compound | allergen; sensitiser |
3-iodo-2-propynylbutylcarbamate | 3-iodo-2-propynylbutylcarbamate: RN & structure given in first source 3-iodoprop-2-yn-1-yl butylcarbamate : A carbamate ester that is carbamic acid in which the nitrogen has been substituted by a butyl group and in which the hydrogen of the carboxy group is replaced by a 1-iodoprop-2-yn-3-yl group. A fungicide, it is used as a preservative and sapstain control chemical in wood products and as a preservative in adhesives, paints, latex paper coating, plastic, water-based inks, metal working fluids, textiles, and numerous consumer products. | acetylenic compound; carbamate ester; carbamate fungicide; organoiodine compound | antifungal agrochemical; environmental contaminant; xenobiotic |
benoxacor | benoxacor: a herbicide safener that protects corn from injury by metachlor | benzoxazine | |
musk xylene | musk xylene : A C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6 as well as a tert-butyl group at position 5. | C-nitro compound | carcinogenic agent; explosive; fragrance |
scarlet red | Scarlet Red: structure Sudan IV : A bis(azo) compound that is 2-naphthol substituted at position 1 by a {2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections. | azobenzenes; bis(azo) compound; naphthols | carcinogenic agent; fluorochrome; histological dye |
glycoluril | glycoluril: a compound made of two 2-imidazolidinone fused at the 4 and 5 positions | azabicycloalkane; ureas | |
iberverin | |||
1-(1-phenylcyclohexyl)pyrrolidine | 1-(1-phenylcyclohexyl)pyrrolidine: pyrrolidine analog of phencyclidine; RN given refers to parent cpd; structure rolicyclidine : Pyrrolidine in which the hydrogen attached to the nitrogen is substituted by a 1-phenylcyclohex-1-yl group. | pyrrolidines; tertiary amine | general anaesthetic; hallucinogen; NMDA receptor antagonist |
1-lauryl-2-pyrrolidone | 1-dodecylpyrrolidin-2-one : Pyrrolidin-2-one substituted at nitrogen by an n-dodecyl group. | pyrrolidin-2-ones | epitope |
n-methyl-3-piperidyl benzilate | N-methyl-3-piperidyl benzilate: RN given refers to parent cpd | ||
tinuvin | |||
pentaerythritol tetraacrylate | |||
dioctyldimethyl ammonium chloride | quaternary ammonium salt | ||
sodium persulfate | sodium persulfate: RN given refers to peroxydisulfuric acid, di-Na salt | ||
daunorubicin hydrochloride | anthracycline | ||
fluoxetine hydrochloride | fluoxetine hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine hydrochloride. A selective serotonin reuptake inhibitor (SSRI), it is used for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder. | hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
propranolol hydrochloride | Inderex: combination of above cpds; used in treatment of hypertension | hydrochloride | |
bupropion hydrochloride | aromatic ketone | ||
trovan | trovafloxacin mesylate : A methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. | ||
verapamil hydrochloride | verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride. | ||
sertraline hydrochloride | sertraline hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. | hydrochloride | antidepressant; serotonin uptake inhibitor |
dexamethasone 17-valerate | dexamethasone 17-valerate: RN given refers to (11beta,16alpha)-isomer; structure | 21-hydroxy steroid | |
3,4,5,3',4'-pentachlorobiphenyl | 3,3',4,4',5-pentachlorobiphenyl : A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions. | pentachlorobiphenyl; trichlorobenzene | |
efavirenz | efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. efavirenz: HIV-1 reverse transcriptase inhibitor | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
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 |
amodiaquine hydrochloride | hydrochloride | anticoronaviral agent | |
meclizine monohydrochloride | |||
mevastatin | mevastatin : A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals. mevastatin: antifungal metabolite from Penicillium brevicopactum; potent inhibitory activity to sterol synthesis; structure | 2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite |
bupivacaine hydrochloride | 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride : A hydrochloride obtained by combining 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide with one molar equivalent of hydrochloric acid. bupivacaine hydrochloride (anhydrous) : A racemate composed of equimolar amounts of dextrobupivacaine hydrochloride and levobupivacaine hydrochloride. The monohydrate form is commonly used as a local anaesthetic. | hydrochloride; racemate | adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic |
alfentanil hydrochloride | |||
denatonium saccharide | denatonium saccharide: white powder with an extremely bitter taste | ||
bourgeonal | |||
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 |
betulinic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite | |
diphenylcyclopropenone | diphenylcyclopropenone : A cyclopropenone compound having phenyl substituents at the 2- and 3-positions. diphenylcyclopropenone: strong contact sensitizer; a photosensitizing agent; RN given refers to parent cpd; structure given in first source | cyclopropenone | drug allergen; hapten; photosensitizing agent |
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 |
alpha-terthienyl | terthiophene | ||
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 |
25-hydroxycholesterol | 25-hydroxy steroid; oxysterol | human metabolite | |
6-azacytidine | 6-azacytidine: MH AZACITIDINE refers to 5-azacytidine | ||
salvin | salvin: a biocyclic diterpenoid; from sage and rosemary (Lamiaceae) | abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid | angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite |
xanthyletine | xanthyletine: structure | coumarins | |
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 |
mefloquine hydrochloride | hydrochloride | ||
proadifen hydrochloride | |||
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 |
triciribine | nucleoside analogue | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
narasin | diterpene glycoside | ||
sulconazole, mononitrate, (+-)-isomer | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | ||
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 |
cedrol | cedrol: a cyclic terpenoid from cedarwood oil; 8-epicedrol is an epimer | cedrane sesquiterpenoid; tertiary alcohol | |
quifenadine | quifenadine: Russian drug | diarylmethane | |
bendamustine | benzimidazoles | ||
fluazuron | fluazuron : An N-acylurea that is urea in which one of the hydrogens has been replaced by a 3,6-difluorobenzoyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4-chloro-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl group. It is used to control ticks in cattle. fluazuron: a benzoyl phenylurea compound; ACATAK (tradename) is a pour-on tick development inhibitor containing fluazuron as its active ingredient | aromatic ether; chloropyridine; monochlorobenzenes; N-acylurea; organochlorine acaricide; organofluorine acaricide; phenylureas | acaricide; mite growth regulator |
caroverine | caroverine: structure | quinoxaline derivative | |
bumecain | bumecain: RN given refers to parent cpd; structure | ||
indocate | |||
fotrin | fotrin: ethyleneamine derivative; antineoplastic; Russian drug; structure | ||
tedisamil | tedisamil : A member of the class of diazabicyclononanes that is (1s,5s)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane] in which the hydrogens at positions 3 and 7 are replaced by cyclopropylmethyl groups. It is a potassium channel blocker and an antiarrhythmic agent currently currently in development for the treatment of atrial fibrillation. | ||
anpirtoline | anpirtoline: structure given in first source | aryl sulfide | |
kb 3022 | KB 3022: structure given in first source | ||
web 2086 | WEB 2086: structure given in first source; PAF antagonist | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
mizolastine | benzimidazoles | ||
cgs 9343b | benzimidazoles | ||
terikalant | terikalant: experimental class II antiarrhythmic drug; RN gioven refers to terikalant ((S-(-))-isomer) | piperidines | |
azelnidipine | azelnidipine: structure given in first source | isopropyl ester | |
npk 1886 | NPK 1886: RN given from Toxline; RN not in Chemline 6/86 | dihydropyridine; isopropyl ester; methyl ester | |
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 |
thioridazine hydrochloride | hydrochloride | first generation antipsychotic; geroprotector | |
trifluoperazine hydrochloride | hydrochloride | ||
bergenin | bergenin: RN refers to (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-isomer; structure | trihydroxybenzoic acid | metabolite |
armin | Armin: A reversible organophosphorus cholinesterase inhibitor. It also affects the presynaptic membrane and inhibits membrane postsynaptic cholinergic receptors. The compound had former use as a miotic. | organic phosphonate; phosphonic ester | |
siquil | hydrochloride | anticoronaviral agent | |
bisphenol b | bisphenol | ||
dexfenfluramine hydrochloride | fenfluramine hydrochloride | appetite depressant; serotonergic agonist; serotonin uptake inhibitor | |
17 beta-estradiol hemisuccinate | |||
hexaconazole | 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol : A member of the class of triazoles that is 1-hexyl-1H-1,2,4-triazole in which the hydrogens at position 2 of the hexyl chain are replaced by hydroxy and 2,4-dichlorophenyl groups. hexaconazole : A racemate comprising equimolar amounts of (R)- and (S)-hexaconazole. An agricultural fungicide introduced in the 1980s, it is not approved for use within the European Union. | dichlorobenzene; tertiary alcohol; triazoles | chelator |
naphthalimides | Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS. | ||
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 |
moskene | moskene: causes allergic photocontact dermatitis; structure given in first source | ||
Diphenolic acid | diphenolic acid: an estrogenic ligand | bisphenol | |
musk tibetine | musk tibetine: in contrast to other musk cpds this cpd does not cause allergic photocontact dermatitis; structure given in first source | ||
1,7-dioxaspiro(5.5)undecane | 1,7-dioxaspiro(5.5)undecane: structure given in first source | ketal | |
4,4,4-trifluoro-1-phenyl-1,3-butanedione | 4,4,4-trifluoro-1-phenyl-1,3-butanedione: can trap reactive metabolites of carcinogens | ||
dibenzthione | dibenzthione: structure | aromatic amine | |
perfluoro-n-nonanoic acid | perfluorononanoic acid : A fluoroalkanoic acid that is nonanoic acid in which all of the hydrogens in the alkyl chain are replaced by fluorines. | fluoroalkanoic acid | persistent organic pollutant; surfactant; xenobiotic |
4-fluorobenzaldehyde | |||
5-hydroxyflavone | flavones | ||
spiramide | spiramide : An azaspiro compound that consists of 1,3,8-triazaspiro[4.5]decan-4-one having a phenyl group attached to N-1 and a 3-(4-fluorophenoxy)propyl attached to N-8. Selective 5-HT antagonist, which binds to 5-HT2 sites as potently as spiperone but has lower affinity for 5-HT2C receptors. Also a high affinity D2 receptor antagonist (Ki = 3 nM). Lacks the disruptive effect of spiperone on animal behaviour. spiramide: RN given refers to parent cpd; structure | aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; serotonergic antagonist |
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 | |
2-aminodiphenylamine | 2-aminodiphenylamine: structure in first source | ||
dyclonine hydrochloride | dyclonine hydrochloride : The hydrochloride salt of dyclonine. | hydrochloride | topical anaesthetic |
meconin | meconin: a marker for illicit opiate use | 2-benzofurans | |
clomipramine hydrochloride | clomipramine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of clomipramine and hydrogen chloride. One of the more sedating tricyclic antidepressants, it is used for the treatment of depression as well as obsessive-compulsive disorder and phobias. | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug |
nitroscanate | |||
miconazole nitrate | miconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-miconazole nitrate. An antifungal used for the treatment of athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes. | ||
alfatradiol | 17alpha-estradiol : An estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer). alfatradiol: used for treating androgenetic alopecia | 17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol | estrogen; geroprotector |
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. | ||
sertraline | sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression. | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
oxiperomide | oxiperomide: dopamine-blocking agent | ||
sanguinarine chloride | |||
rilmenidine | Rilmenidine: Oxazole derivative that acts as an agonist for ALPHA-2 ADRENERGIC RECEPTORS and IMIDAZOLINE RECEPTORS. It is used in the treatment of HYPERTENSION. | isourea | |
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 |
quinocide | quinocide: Russian drug; RN given refers to parent cpd; structure | ||
bithionol sulfoxide | bithionol sulfoxide: RN given refers to parent cpd; structure | ||
ethyl 4-chloro-3-oxobutanoate | |||
12-aminododecanoic acid | 12-aminododecanoic acid : An omega-amino fatty acid that is dodecanoic acid in which one of the terminal amino hydrogens has been replaced by an amino group. 12-aminododecanoic acid: RN given refers to parent cpd; structure given in first source | medium-chain fatty acid; omega-amino fatty acid | bacterial metabolite |
2,6-di-tert-butyl-4-nitrophenol | 2,6-di-tert-butyl-4-nitrophenol: has been reported as a potential contaminant in submarines | ||
perfluorooctanesulfonamide | perfluorooctanesulfonamide : A perfluorinated compound that is perfluorooctane in which one of the terminal fluorines has been replace by a sulfamoyl group. | perfluorinated compound; sulfonamide | persistent organic pollutant |
2,2'-Dihydroxybenzophenone | benzophenones | ||
butanediol diacrylate | butanediol diacrylate: RN given is for 1,4-butanediol diacrylate; structure | ||
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 |
2,2',2''-terpyridine | 2,2',2''-terpyridine: RN given refers to parent cpd 2,2':6',2''-terpyridine : A tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN2C2 chelate rings. | terpyridines | chelator |
aprofen | aprofen: RN given refers to parent cpd; structure | ||
vinburnine | alkaloid | ||
5-methyl-8-hydroxyquinoline | 5-methyl-8-hydroxyquinoline: RN given refers to parent cpd; structure in first source & in Negwer, 5th ed, #1202 | hydroxyquinoline | |
erythromycin propionate | erythromycin propionate: form in which erythromycin estolate is principally absorbed | erythromycin derivative | |
nebivolol | 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] : A member of the class of chromanes that is 2,2'-iminodiethanol in which one hydrogen attached to each hydroxy-bearing carbon is replaced by a 6-fluorochroman-2-yl group. | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
atipamezole | |||
uk 68798 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker | |
danofloxacin | quinolines | ||
binospirone mesylate | binospirone mesylate: structure given in first source; a serotonin 1A receptor agonist; a putative 5-HT(1A) receptor antagonist | ||
clobetasone butyrate | organic molecular entity | ||
masoprocol | masoprocol : The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. Masoprocol: A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
labetalol hydrochloride | salicylamides | ||
amidonal | indanes | ||
premafloxacin | quinolines | ||
maprotiline hydrochloride | anthracenes | ||
azamethiphos | organic thiophosphate; organochlorine acaricide; organochlorine insecticide; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor | |
opipramol hydrochloride | |||
hydroxyzine dihydrochloride | |||
voriconazole | voriconazole : A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. Voriconazole: A triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 CYP3A. | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
fomocain | fomocain: a basic ether with local anesthetic action & relative low toxicity & systemic effects; minor descriptor (77-86); on-line & INDEX MEDICUS search PHENYL ETHERS (77-86); RN given refers to parent cpd | amine | |
enocitabine | organic molecular entity | ||
menbutone | menbutone: structure | butanone | |
chlormidazole | chlormidazole: structure | benzimidazoles | |
efaroxan | efaroxan: RN given refers to parent cpd | 1-benzofurans | |
pheneturide | pheneturide: product of ring hydrolysis of phenobarbital; structure; RN given refers to parent cpd without isomeric designation | amine | |
octylonium bromide | |||
thioxolone | tioxolone : A 1,3-benzoxathiole having a hydroxy substituent at the 6-position. | benzoxathiole | antiseborrheic |
tioxidazole | tioxidazole: structure | benzothiazoles | |
tiquizium bromide | thiaton: antispasmodic; RN refers to bromide (trans)-isomer tiquizium bromide : A organic bromide salt of tiquizium. It is an antispasmodic drug used for the treatment of convulsion and hypermobility in gastritis, gastric ulcer, duodenal ulcer, enteritis, irritable bowel syndrome, gallbladder disease, biliary tract disease and urolithiasis. | organic bromide salt; quaternary ammonium salt | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
ubenimex | ubenimex: growth inhibitor | ||
3-octadecanamido-2-ethoxypropylphosphocholine | 3-octadecanamido-2-ethoxypropylphosphocholine: anti-HIV agent; RN & structure given in first source | ||
epicatechin | (-)-epicatechin : A catechin with (2R,3R)-configuration. | catechin; polyphenol | antioxidant |
gallocatechol | (-)-epigallocatechin : A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration. | catechin; flavan-3,3',4',5,5',7-hexol | antioxidant; food component; plant metabolite |
6-hydroxyflavone | 6-hydroxyflavone: antioxidant; structure in first source | hydroxyflavonoid | |
honokiol | biphenyls | ||
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 |
grepafloxacin | grepafloxacin: structure in first source | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
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 | ||
tosyllysine chloromethyl ketone | |||
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 |
2-chloranil | |||
nicosulfuron | nicosulfuron : A N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen. nicosulfuron: inhibits ACETOLACTATE SYNTHASE; Accent is DuPont brand name | N-sulfonylurea; pyridines; pyrimidines | environmental contaminant; herbicide; xenobiotic |
fascaplysine | fascaplysine: from tropic sea sponges | ||
doripenem | Doripenem: A carbapenem derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of infections such as HOSPITAL-ACQUIRED PNEUMONIA, and complicated intra-abdominal or urinary-tract infections, including PYELONEPHRITIS. | carbapenems | |
amperozide hydrochloride | amperozide hydrochloride : The hydrochloride salt of amperozide. | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
gramicidin s | homodetic cyclic peptide | ||
dauricine | dauricine : A bisbenzylisoquinoline alkaloid resulting from the formal oxidative dimerisation of 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol by attachment of the phenolic oxygen of one molecule to the benzene ring of the second (ortho to the phenolic hydroxy group of the latter). dauricine: RN given refers to parent cpd | aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound | plant metabolite |
brusatol | brusatol: quassinoid from B. javanica; structure | triterpenoid | |
dehydroleucodine | dehydroleucodine: has antimicrobial activity; RN given refers to (3aS-(3aalpha,9aalpha,9bbeta))-isomer | ||
prochloraz | Mirage: a feldspathic porcelain that can be etched & bonded to the tooth prochloraz : A member of the class of ureas that is 1H-imidazole-1-carboxamide substituted by a propyl and a 2-(2,4,6-trichlorophenoxy)ethyl group at the amino nitrogen atom. A fungicide active against a wide range of diseases affecting field crops, fruit, turf and vegetables. | amide fungicide; aromatic ether; conazole fungicide; imidazole fungicide; imidazoles; trichlorobenzene; ureas | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
isoxaben | isoxaben : A benzamide obtained by formal condensation of the carboxy group of 2,6-dimethoxybenzoic acid and the amino group of 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine. | benzamides; isoxazoles | cellulose synthesis inhibitor; herbicide |
flusilazole | flusilazole : An organosilicon compound that is dimethylsilane in which the hydrogens attached to the silicon are replaced by p-fluorophenyl groups and a hydrogen attached to one of the methyl groups is replaced by a 1H-1,2,4-triazol-1-yl group. It is a broad-sepctrum fungicide used to protect a variety of crops. flusilazole: structure given in first source | conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
crystal violet lactone | crystal violet lactone: triarylmethane color former component of carbonless copy paper; structure given in first source | benzofurans | |
n-benzylmaleimide | |||
Oroselone | furanocoumarin | ||
perfluorooctane sulfonic acid | perfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines. | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
2-phenylisatogen | 2-phenylisatogen: inhibitor of mitochondrial oxidative phosphorylation; structure | ||
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 | |
irinotecan hydrochloride | irinotecan hydrochloride (anhydrous) : A hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of its trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. | hydrochloride | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
iodophthalein, disodium salt | |||
iodophthalein | |||
4-(2-thiazolylazo)resorcinol | 4-(2-thiazolylazo)resorcinol: sensitive indicator for metals | ||
victoria blue bo | Victoria blue BO: a cationic triarylmethane dye; exhibits photodynamic activity against the human leukemic cell lines K-562 and TF-1 | ||
2-hydroxyfluorene | 2-hydroxyfluorene: structure in first source | fluorenes | |
2,4'-bisphenol f | 2,4'-bisphenol F: contact allergen; structure given in first source | ||
4-hydroxybutyl acrylate | |||
octyltriethoxysilane | organosilicon compound | ||
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane | 2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane: methoxychlor metabolite | bisphenol | |
9,9-bis(4-hydroxyphenyl)fluorene | fluorene-9-bisphenol: derivative of bisphenol A | fluorenes; polyphenol | anti-estrogen |
di-n-octyltin dichloride | |||
2,4-dichloropyrimidine | |||
4'-methoxyflavone | 4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first source | ether; flavonoids | |
eletriptan | eletriptan : An N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group. eletriptan: 5-HT(1B/1D) receptor agonist; structure in first source | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
rosiglitazone | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug | |
2-methyl-4-nitroquinoline 1-oxide | 2-methyl-4-nitroquinoline 1-oxide: structure | ||
isopropyl thioxanthone | isopropyl thioxanthone: structure in first source | ||
4-amino-2,6-dichlorophenol | |||
n-hydroxysuccinimide | N-hydroxysuccinimide: structure | ||
tetraconazole | 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole : A member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl group. tetraconazole : A racemate comprising equal amounts of (R)- and (S)-tetraconazole. A fungicide used to control a range of fungal infections including powdery mildew, rusts, bunt, loose smut and scab. | dichlorobenzene; ether; organofluorine compound; triazoles | |
chloropyramine hydrochloride | |||
2-(carboxymethylthio)benzothiazole | 2-(carboxymethylthio)benzothiazole: oxidation product of 2-(hydroxyethylthio)benzothiazole; structure given in first source | ||
1,8-diazabicyclo(5.4.0)undec-7-ene | |||
ethyl 2-cyanoacrylate | ethyl 2-cyanoacrylate: RN given refers to monomer | ||
2-hydroxy-2-methylpropiophenone | 2-hydroxy-2-methylpropiophenone: structure in first source | ||
pentaerythritol tetra(3-mercaptopropionate) | pentaerythritol tetra(3-mercaptopropionate): structure in first source | ||
2-bromopalmitate | 2-bromohexadecanoic acid : A bromo fatty acid that is hexadecanoic (palmitic) acid carrying a single bromo substituent at position 2. 2-bromopalmitate: inhibitor of fatty acid oxidation; RN given refers to parent cpd | 2-bromocarboxylic acid; bromo fatty acid; long-chain fatty acid; straight-chain fatty acid | fatty acid oxidation inhibitor |
bexarotene | benzoic acids; naphthalenes; retinoid | antineoplastic agent | |
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 | |
orphenadrine citrate | orphenadrine citrate : A citrate salt which comprises equimolar amounts of orphenadrine and citric acid. | citrate salt | H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
tetramethrin | tetramethrin: structure | cyclopropanecarboxylate ester; maleimides; phthalimide insecticide | pyrethroid ester insecticide |
ketorolac tromethamine | ketorolac tromethamine : An organoammonium salt resulting from the mixture of equimolar amounts of ketorolac and tromethamine (tris). It has potent non-sedating analgesic and moderate anti-inflammatory effects. It is used in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. Ketorolac Tromethamine: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is a non-steroidal anti-inflammatory agent used for analgesia for postoperative pain and inhibits cyclooxygenase activity. | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor |
clarithromycin | clarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis. Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation. | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene | diarylmethane | ||
hei 712 | organofluorine compound; quinolone | ||
n-(4-(2-benzoxazolyl)phenyl)maleimide | |||
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile | 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile : A member of the class of triazoles that is 1-chloro-4-(3-phenylpropyl)benzene substituted at position 3 of the propyl moiety by cyano and 1,2,4-triazol-1-ylmethyl groups. fenbuconazole : A racemate comprising equimolar amounts of (R)- and (S)-fenbuconazole. A fungicide used to control a range of diseases including powdery mildew, black rot and scab. fenbuconazole: fenbuconazole is a formulant in the fungicide Enable; structure in first source | monochlorobenzenes; nitrile; triazoles | |
difenoconazole | difenoconazole : A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms. | aromatic ether; conazole fungicide; cyclic ketal; dioxolane; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
metconazole | metconazole : A member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl and 4-chlorobenzyl and geminal dimethyl substituents at positions 1, 2 and 5 respectively. Used to control a range of fungal infections including alternaria, rusts, fusarium and septoria diseases. | conazole fungicide; cyclopentanols; monochlorobenzenes; tertiary alcohol; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
carfentrazone-ethyl | carfentrazone-ethyl : A racemate comprising equimolar amounts of (R)- and (S)-carfentrazone-ethylcarfentrazone-ethyl. A proherbicide for the herbicide carfentrazone (by hydrolysis of the ester group to the corresponding acid), it is used to control broad-leafed weeds in potatoes and cereal crops. carfentrazone-ethyl: structure in first source ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate : An ethyl ester resulting from the formal condensation of the carboxy group of 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid with ethanol. | ethyl ester | proherbicide |
4-chloro-n-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1h-pyrazole-5-carboxamide | pyrazole acaricide; pyrazole insecticide | mitochondrial NADH:ubiquinone reductase inhibitor | |
cyprodinil | cyprodinil : A member of the class of aminopyrimidine that is N-phenylpyrimidin-2-amine carrying additional cyclopropyl and methyl substituents at positions 4 and 6 respectively. A broad spectrum fungicide used to control a range of pathogens including Tapesia yallundae, Botrytis spp., Alternaria spp. and Rhynchospium secalis. Whilst it is a recognised irritant no serious human health concerns have been identified. It is moderately toxic to birds as well as most aquatic organisms and earthworms, but it is not considered toxic to honeybees. cyprodinil: structure in first source | aminopyrimidine; anilinopyrimidine fungicide; cyclopropanes; secondary amino compound | antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic |
fludioxonil | fludioxonil : A member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group. A fungicide seed treatment for control of a range of diseases including Fusarium, Rhizoctonia and Alternaria. fludioxonil: structure in first source | benzodioxoles; nitrile; organofluorine compound; pyrroles | androgen antagonist; antifungal agrochemical; estrogen receptor agonist |
foe 5043 | flufenacet : An aromatic amide that is acetamide in which the amino hydrogens have been replaced by a propan-2-yl and 4-fluorophenyl groups while the methyl hydrogen is replaced by a [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy group. FOE 5043: an oxyacetamide with herbicidal activity; structure given in first source | aromatic amide; monofluorobenzenes; thiadiazoles | environmental contaminant; herbicide; xenobiotic |
alpha-tocopherol acetate | tocol | ||
loganin | beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol | anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite | |
acetyl methyl tetramethyl tetralin | acetyl methyl tetramethyl tetralin: musk fragrance; structure given in first source | tetralins | |
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 | |
cinchonine | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite | |
bisphenol f diglycidyl ether | bisphenol F diglycidyl ether : An aromatic ether that is bisphenol F where the hydrogens of both hydroxy groups have been replaced by a oxiran-2-ylmethyl group. bisphenol F diglycidyl ether: structure in first source | aromatic ether; diarylmethane; epoxide | |
gliquidone | gliquidone: structure; RN given refers to parent cpd | isoquinolines | |
hydroxyflutamide | |||
kathon 930 | 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone : A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide. Kathon 930: cp was added to finishing agents in textile factories; caused contact dermatitis; structure given in first source | 1,2-thiazoles; organochlorine compound | environmental contaminant; fungicide; xenobiotic |
pencycuron | pencycuron : A member of the class of phenylureas that is urea which is substituted by p-chlorobenzyl and cyclopentyl groups at position 1 and a phenyl group at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It is not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. pencycuron: structure given in first source | monochlorobenzenes; phenylureas | antifungal agrochemical |
penconazole | 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole : A member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group. penconazole : A racemate comprising equal amounts of (R)- and (S)-penconazole. A fungicide used to control powdery mildew, scab and other pathogenic Ascomycetes, Basidiomycetes and Deuteromycetes. penconazole: structure given in first source | dichlorobenzene; triazoles | |
triflumizol | triflumizol: structure given in first source triflumizole : A carboxamidine resulting from the formal condensation of the amino group of 4-chloro-2-(trifluoromethyl)aniline with the oxygen of the acetyl group of N-(propoxyacetyl)imidazole. A sterol demethylation inhibitor, it is used as a fungicide for the control of powdery mildew, scab and other diseases on a variety of crops. | ||
chlorfluazuron | chlorfluazuron: chitin synthesis inhibitor | benzoylurea insecticide; dichlorobenzene; organochlorine insecticide; organofluorine insecticide | |
fluazinam | fluazinam : A member of the class of aminopyridines that is 2-amino-5-(trifluoromethyl)pyridine in which one of the amino hydrogens is replaced by a 3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl group. A fungicide used to control grey mould, downy mildew and other fungal pathogens. fluazinam: structure given in first source | (trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound | allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic |
teflubenzuron | teflubenzuron : A N-acylurea that is N-carbamoyl-2,6-difluorobenzamide substituted by a 3,5-dichloro-2,4-difluorophenyl group at the terminal nitrogen atom. teflubenzuron: effective against development of house fly larvae (Musca domestica) | dichlorobenzene; difluorobenzene; N-acylurea | environmental contaminant; insecticide; xenobiotic |
pyridaben | organochlorine acaricide; organochlorine insecticide; pyridazinone | mitochondrial NADH:ubiquinone reductase inhibitor | |
flufenoxuron | (trifluoromethyl)benzenes; benzoylurea insecticide; difluorobenzene; monochlorobenzenes; monofluorobenzenes | mite growth regulator | |
tebufenozide | tebufenozide : A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by tert-butyl, 3,5-dimethylbenzoyl and 4-ethylbenzoyl groups respectively. It is an insecticide used widely against caterpillars. tebufenozide: structure given in first source | carbohydrazide | ecdysone agonist; environmental contaminant; xenobiotic |
chlorfenapyr | chlorfenapyr : A member of the class of pyrroles that is 4-bromo-1H-pyrrole-3-carbonitrile which is substituted at positions 1, 2 and 5 by ethoxymethyl, p-chlorophenyl and trifluoromethyl groups, respectively. A proinsecticide used for termite control and crop protection against several insects and mite pests. chlorfenapyr: an experimental pour-on formulation, a new generation pyrethroid available to producers | hemiaminal ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles | proacaricide; proinsecticide |
delta-tocopherol | tocopherol; vitamin E | food antioxidant; plant metabolite | |
riboflavin tetrabutyrate | riboflavin tetrabutyrate: RN given refers to unlabeled parent cpd | flavin | |
levobupivacaine | levobupivacaine : The (S)-(-)-enantiomer of bupivacaine. Levobupivacaine: S-enantiomer of bupivacaine that is used as a local anesthetic and for regional nerve blocks, including EPIDURAL ANESTHESIA. | 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide | adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic |
triflusulfuron-methyl | triflusulfuron-methyl : A methyl ester resulting from the formal condensation of the carboxy group of triflusulfuron with methanol. A proherbicide for triflusulfuron. triflusulfuron-methyl: structure in first source | 1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound | agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide |
lopinavir | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor | |
gamma-tocopherol | gamma-tocopherol : A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. gamma-Tocopherol: A natural tocopherol with less antioxidant activity than ALPHA-TOCOPHEROL. It exhibits antioxidant activity by virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus. As in BETA-TOCOPHEROL, it also has three methyl groups on the 6-chromanol nucleus but at different sites. | tocopherol; vitamin E | algal metabolite; food antioxidant; plant metabolite |
uvaol | uvaol: from Vauquelinia corymbosa (Rosaceae) | triterpenoid | metabolite |
cycloadiphenine hydrochloride | |||
tetrabromophenolphthalein ethyl ester | tetrabromophenolphthalein ethyl ester: RN given refers to parent cpd | ||
silomat | benzenes; organic amino compound | ||
androstan-3-ol | 3-hydroxy steroid | androgen | |
propicillin | propicillin: major descriptor (64-84); on-line search PENICILLIN, PHENOXYMETHYL/AA (64-84); Index Medicus search PROPICILLIN (64-84); RN given refers to parent cpd(2S-(2alpha,5alpha,6beta))-isomer | penicillin | |
tolperisone hydrochloride | aromatic ketone | ||
3 beta-hydroxy-delta 5-cholenic acid | steroid | ||
Mexicanin I | sesquiterpene lactone | ||
podocarpic acid | podocarpic acid : An abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position. podocarpic acid: structure | abietane diterpenoid | |
acequinocyl | acequinocyl : An acetate ester consisting of 1,4-naphthoquinone bearing acetoxy and dodecyl substituents at positions 2 and 3 respectively. acequinocyl: structure in first source | 1,4-naphthoquinones; acetate ester | acaricide; mitochondrial cytochrome-bc1 complex inhibitor |
fenpropimorph | alkylbenzene | ||
n-(2-chloro-4-pyridyl)-n'-phenylurea | forchlorfenuron : A member of the class of phenylureas that is urea substituted by a phenyl group and a 2-chloropyridin-4-yl group at positions 1 and 3 respectively. It is a plant growth regulator widely used in agriculture for improving fruit quality and fruit size. | monochloropyridine; phenylureas | plant growth regulator |
novaluron | novaluron: insecticide | aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound | |
1-(2-thiazolylazo)-2-naphthol | 1-(2-thiazolylazo)-2-naphthol: used to locate cadmium not bound to metallothionein | ||
dimethacrine | dimethacrine: minor descriptor (75-84); on-line & Index Medicus search ACRIDINES (75-84); RN given refers to parent cpd without isomeric designation | acridines | |
cortisol octanoate | corticosteroid hormone | ||
bnps-skatole | BNPS-skatole : A bromoindole that is 3H-indole in which the hydrogen at position 2 has been replaced by an (o-nitrophenyl)sulfanyl group and in which the hydrogens at position 3 have been replaced by a bromine and a methyl group. It is used particularly for the selective cleavage of tryptophanyl peptide bonds (cleavage occurs at peptide bonds after amino acids with available C(gamma)=C(delta) double bonds such as tryptophan, tyrosine, and histidine). | aryl sulfide; bromoindole; C-nitro compound | reagent |
dehydroabietic acid | dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
5-Methoxyflavone | 5-methoxyflavone: DNA polymerase-beta inhibitor and neuroprotective agent against beta-amyloid toxicity; structure in first source | ether; flavonoids | |
efuamide | efuamide: same cpd is obtained from residue of ignited APC tablets; structure given in first source | ||
diffractaic acid | difractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first source | carbonyl compound | |
ska-31 | |||
1-phenazinecarboxylic acid | 1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. | aromatic carboxylic acid; monocarboxylic acid; phenazines | antifungal agent; antimicrobial agent; bacterial metabolite |
osajin | osajin: from Maclura pomifera | isoflavanones | |
2,2',4,4'-tetrabromodiphenyl ether | aromatic ether; organobromine compound | ||
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 |
6-methoxyflavanone | 6-methoxyflavanone: structure in first source | ||
phellopterin | phellopterin: a naturally occurring furanocoumarin found in roots of Angelica dahurica; structure in first source | psoralens | |
3-[3-(trifluoromethyl)phenyl]-1-methylurea | a 1-methyl-3-phenylurea | ||
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 | ||
loliolide | loliolide: RN given refers to (6S-cis)-isomer | benzofurans | metabolite |
moxifloxacin hydrochloride | moxifloxacin hydrochloride : A hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride. | hydrochloride | antibacterial drug |
erythrodiol | diol; pentacyclic triterpenoid; primary alcohol; secondary alcohol | plant metabolite | |
alexidine dihydrchloride | |||
fulvestrant | fulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer. | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
alphaxalone | alphaxalone: RN given refers to (3alpha,5alpha)-isomer; structure | corticosteroid hormone | |
sr141716 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist | |
cp-55,940 | |||
ecgonine methyl ester | ecgonine methyl ester : The O-debenzoyl analogue of cocaine. ecgonine methyl ester: major metabolite of cocaine; RN given refers to parent cpd (1R-(exo,exo))-isomer | methyl ester; tertiary amino compound; tropane alkaloid | analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug |
vanoxerine | vanoxerine dihydrochloride : A hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration. | hydrochloride | dopamine uptake inhibitor |
cyfluthrin | cyfluthrin : A carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile. cyfluthrin: effective against mosquitoes | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester insecticide |
cv 3988 | CV 3988: platelet activating factor antagonist; structure given in first source | ||
dihydroergocristine | dihydroergocristine : Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. Dihydroergocristine: A 9,10alpha-dihydro derivative of ERGOTAMINE that contains an isopropyl sidechain at the 2' position of the molecule. | ergot alkaloid | adrenergic antagonist; vasodilator agent |
indoxacarb | indoxacarb: oxadiazine insecticide; structure in first source insecticide : Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | methyl ester; organochlorine insecticide | voltage-gated sodium channel blocker |
epicatechin gallate | (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea | catechin; gallate ester; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
5-hydroxypropafenone | phenols | ||
ecopipam | ecopipam: structure given in first source | benzazepine | |
Zearalanone | macrolide; resorcinols | ||
parthenolide | germacranolide | ||
tesmilifene | diarylmethane | ||
3,5-dimethyl-3'-isopropyl-l-thyronine | 3,5-dimethyl-3'-isopropyl-L-thyronine: RN given refers to (L)-isomer | ||
tamibarotene | tamibarotene : A dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine. tamibarotene: has retinoid-binding activity | dicarboxylic acid monoamide; retinoid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
ecteinascidin 743 | acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound | alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite | |
tadalafil | benzodioxoles; pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent | |
6-methyl-1,3,8-trichlorodibenzofuran | 6-methyl-1,3,8-trichlorodibenzofuran: structure given in first source | ||
1-(carboxymethylthio)tetradecane | 1-(carboxymethylthio)tetradecane: structure given in first source; alkylthio acetic acid, non-beta-oxidizable | straight-chain fatty acid | |
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine | 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine: cyclic methadone metabolite; RN given refers to parent cpd; structure | ||
olprinone | organic molecular entity | ||
paliperidone | 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one : A member of the class of pyridopyrimidines that is 9-hydroxy-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. paliperidone : A racemate comprising equimolar amounts of (R)- and (S)-paliperidone. Paliperidone is the primary active metabolite of the older antipsychotic risperidone and is used for treatment of schizophrenia. | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | |
levobupivacaine hydrochloride | levobupivacaine hydrochloride (anhydrous) : The monohydrochloride salt of levobupivacaine. | 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride | adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic |
marimastat | marimastat : A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide. marimastat: a matrix metalloproteinase inhibitor active in patients with advanced carcinoma of the pancreas, prostate, or ovary | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
efonidipine | 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate : A carboxylic ester resulting from the formal condensation of the carboxy group of 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid with the hydroxy group of 2-[benzyl(phenyl)amino]ethanol. efonidipine : A racemate comprising of equimolar amounts of (R)- and (S)-efonidipine. It is a antihypertensive drug and a dual T-type and L-type calcium channel blocker. | C-nitro compound; carboxylic ester; dihydropyridine; tertiary amino compound | |
4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine | 4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine: PAF antagonist | ||
clofarabine | adenosines; organofluorine compound | antimetabolite; antineoplastic agent | |
1-o-hexyl-2,3,5-trimethylhydroquinone | |||
anhydroecgonine methyl ester | anhydroecgonine methyl ester: structure given in first source | N-alkylpyrrolidine | |
mosapride | 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-amino-5-chloro-2-ethoxybenzoic acid with the amino group of 1-[4-(4-fluorobenzyl)morpholin-2-yl]methanamine. | aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound | |
(20s)-20-hydroxycholesterol | 20-hydroxycholesterol : An oxysterol that is cholesterol substituted by a hydroxy group at position 20. 20-hydroxycholesterol: RN given refers to (20S)-isomer | 20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol | human metabolite; mouse metabolite |
24-hydroxycholesterol | (24S)-24-hydroxycholesterol : A 24-hydroxycholesterol that has S configuration at position 24. It is the major metabolic breakdown product of cholesterol in the brain. | 24-hydroxycholesterol | biomarker; human blood serum metabolite; mouse metabolite |
desethylamodiaquine | desethylamodiaquine: metabolite of amodiaquine | ||
sr 27897 | SR 27897: structure given in first source; a CCK(A) receptor antagonist | indolyl carboxylic acid | |
zoxamide | 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3,5-dichloro-4-methylbenzamide with the amino group of 3-amino-1-chloro-3-methylpentan-2-one. zoxamide : A racemate comprising equimolar amounts of (R)- and (S)-zoxamide. A fungicide used for the control of various fungal infections including blight in potatoes and tomatoes. zoxamide: no further info available 4/02 | alpha-chloroketone; benzamides; dichlorobenzene | |
lomerizine dihydrochloride | |||
pd 128042 | PD 128042: structure given in first source | anilide | |
celastrol | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite | |
procyanidin b2 | procyanidin B2 : A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine. | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | antioxidant; metabolite |
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 |
profenamine hydrochloride | profenamine hydrochloride : The monohydrochloride salt of profenamine. An antimuscarinic, it is used for the symptomatic treatment of Parkinson's disease. | hydrochloride | adrenergic antagonist; antiparkinson drug; histamine antagonist; muscarinic antagonist |
tecastemizole | |||
gefitinib | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist | |
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide | 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide: a highly-selective, nonpeptide delta opioid receptor agonist; structure given in first source | diarylmethane | |
27-hydroxycholesterol | (25R)-cholest-5-ene-3beta,26-diol : A 26-hydroxycholesterol in which the 25-position has R-configuration. | 26-hydroxycholesterol | apoptosis inducer; human metabolite; mouse metabolite; neuroprotective agent |
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 |
desloratadine | desloratadine : Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. desloratadine: major metabolite of loratadine | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
desvenlafaxine | O-desmethylvenlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine. | cyclohexanols; phenols; tertiary amino compound | antidepressant; drug metabolite; marine xenobiotic metabolite |
di-n-desethylamiodarone | di-N-desethylamiodarone: amiodarone metabolite in dogs; structure given in first source | ||
blonanserin | organic molecular entity | ||
furamidine | furamidine: RN given refers to parent cpd; WR 199385 refers to di-HCl; pafuramidine is a prodrug of this | ||
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 | |
sr 11237 | SR 11237: structure given in first source | ||
vestra | |||
hx 600 | HX 600: 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 | ||
n-depropylpropafenone | N-depropylpropafenone: propafenone metabolite; structure given in first source | ||
cyanidin | cyanidin cation : An anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. cyanidin: RN given refers to parent cpd; structure | 5-hydroxyanthocyanidin | antioxidant; metabolite; neuroprotective agent |
5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin | 5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin: structure given in first source | ||
sulbactam | penicillanic acids | ||
omeprazole magnesium | esomeprazole magnesium : A magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome. | benzimidazoles; sulfoxide | |
n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide | |||
olmesartan medoxomil | Olmesartan Medoxomil: An ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to manage HYPERTENSION. | biphenyls | |
e 5880 | E 5880: platelet activating factor antagonist; RN given refers to chloride; RN for parent cpd not avail 2/92; structure given in first source | ||
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 |
4-(3,4,4-trimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile | 4-(3,4,4-trimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile: a non-steroidal antiandrogen; structure given in first source | ||
fr 120480 | FR 120480: cholecystokinin antagonist; structure given in first source | N-acyl-amino acid | |
ru 58841 | |||
6-(1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid | 6-(1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid: reverses keratinization process in hamster tracheal organ culture; inhibits induction of ornithine decarboxylase; structure & RN given in first source; RN not in Chemline 12/5/83 | ||
d-glutamine | amino acid zwitterion; D-alpha-amino acid; glutamine | mouse metabolite | |
6-methoxyflavone | 6-methoxyflavone: suppresses NFAT-mediated T cell activation; structure in first source | ether; flavonoids | |
10-propargyl-10-deazaaminopterin | 10-propargyl-10-deazaaminopterin: structure in first source pralatrexate : A pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma. | N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
docetaxel anhydrous | docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER. | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
atazanavir | atazanavir : A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV). | carbohydrazide | antiviral drug; HIV protease inhibitor |
nsc-141549 | |||
levofloxacin | levofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase. Levofloxacin: The L-isomer of Ofloxacin. | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
cilomilast | methoxybenzenes | ||
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 | ||
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 |
metsulfuron methyl | tribenuron methyl : The methyl ester of tribenuron. | methoxy-1,3,5-triazine; methyl ester; N-sulfonylurea | herbicide |
borneo | Borneo: An island in the Malay Archipelago, east of Sumatra, north of Java, and west of Celebes. It is the third largest island in the world. Its name is a Portuguese alteration of BRUNEI, located on it. (From Webster's New Geographical Dictionary, 1988, p163; Room, Brewer's Dictionary of Names, 1992, p73) | organofluorine acaricide | |
ruboxistaurin | ruboxistaurin: inhibits protein kinase C beta; structure in first source | ||
jtt 501 | JTT 501: an insulin sensitizer; structure in first source | ||
solifenacin | isoquinolines | ||
centchroman | Centchroman: A non-steroidal anti-fertility agent with anti-hormonal properties. | ||
testosterone decanoate | testosterone decanoate: ester of testosterone | steroid ester | |
2,2',4,4',5,5'-hexabrominated diphenyl ether | aromatic ether; organobromine compound | ||
desmethylastemizole | desmethylastemizole: astemizole metabolite in dog plasma; structure given in first source | benzimidazoles | |
besonprodil | besonprodil: CI-1041 is also known as PD19680; NMDA receptor antagonist for treatment of Parkinson's disease; structure in first source | ||
canertinib dihydrochloride | |||
canertinib | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
cinacalcet hydrochloride | cinacalcet hydrochloride : A hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride. Cinacalcet Hydrochloride: A naphthalene derivative and CALCIMIMETIC AGENT that increases the sensitivity of PARATHYROID GLAND calcium-sensing receptors to serum calcium. This action reduces parathyroid hormone secretion and decreases serum calcium in the treatment of PARATHYROID DISEASES. | hydrochloride | calcimimetic; P450 inhibitor |
birb 796 | aromatic ether; morpholines; naphthalenes; pyrazoles; ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator | |
epinastine hydrochloride | hydrochloride | ||
lercanidipine hydrochloride | diarylmethane | ||
lubiprostone | |||
firemaster bp-6 | |||
camphora | (R)-camphor : The (R)- enantiomer of camphor. camphora: a component of Guanxingao, a kind of traditional Chinese rubber electuary medicine which is able to either cure or guard against coronary heart disease and angina pectoris | camphor | |
telbivudine | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | |
mdl 74156 | hydrodolasetron: active metabolite of dolasetron | ||
4,8-dimethyl-5'-carboxypsoralen | 4,8-dimethyl-5'-carboxypsoralen: major metabolite of trioxsalen | ||
2-chloroacetoacetanilide | 2-chloroacetoacetanilide: structure in first source | ||
cryptotanshinone | cryptotanshinone: from Salvia miltiorrhiza | abietane diterpenoid | anticoronaviral agent |
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 |
2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one | 2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one: structure in first source | ||
ar-turmerone | (+)-(S)-ar-turmerone : A sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis. ar-turmerone: potent antivenom against snake bites; isolated form Curcuma longa; structure given in first source | enone; sesquiterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
sweroside | glycoside | ||
cloperastine hydrochloride | diarylmethane | ||
kynurenine | L-kynurenine : A kynurenine that has L configuration. | amino acid zwitterion; kynurenine; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
8-(4-benzenesulfonylamino)quinoline | 8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source | ||
ceanothic acid | ceanothic acid: isolated from Ceanothus americanus; structure in first source | ||
fluoracizine | fluoracizine: Russian drug; 2-trifluoromethyl analog of chloracizine; RN given refers to parent cpd | phenothiazines | |
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 |
tylophorinidine | tylophorinidine: antileukemic agent from T. indica | ||
2'-hydroxyflavone | 2'-hydroxyflavone: isolated from Daphnopsis sellowiana; structure given in first source | flavones | |
dihydroguaiaretic acid | dihydroguaiaretic acid: lignan extracted form Larrea divaricata; inhibitory to beef heart mitochondrial succinoxidase & NADH-oxidase; RN given refers to cpd without isomeric designation | ||
bioresmethrin | bioresmethrin: RN given refers to (1R-trans)-isomer; structure | furans; resmethrin | pyrethroid ester insecticide |
sclareol | sclareol : A labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. sclareol: structure given in first source | labdane diterpenoid | antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite |
1-(2,6-dimethylphenoxy)-2-(3,4-dimethoxyphenylethylamino)propane | |||
y 23023 | pyridochromene | ||
tinuvin 770 | Tinuvin 770: used as a light stabilizer for polyolefins; an L-type Ca2+ channel blocker; structure given in first source | ||
Landiolol hydrochloride | morpholines | ||
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 | ||
ethacridine lactate | |||
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 |
barbatic acid | barbatic acid: structure in first source | carbonyl compound | |
(22r)-22-hydroxycholesterol | (22R)-22-hydroxycholesterol : An oxysterol that is the 22R-hydroxy derivative of cholesterol. | 22-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol | |
22s-hydroxycholesterol | (22S)-22-hydroxycholesterol : An oxysterol that is the 22S-hydroxy derivative of cholesterol. | 22-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol | |
aminopterin | Aminopterin: A folic acid derivative used as a rodenticide that has been shown to be teratogenic. | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
17 alpha-hydroxyprogesterone caproate | 17 alpha-Hydroxyprogesterone Caproate: Hydroxyprogesterone derivative that acts as a PROGESTIN and is used to reduce the risk of recurrent MISCARRIAGE and of PREMATURE BIRTH. It is also used in combination with ESTROGEN in the management of MENSTRUATION DISORDERS. | corticosteroid hormone | |
2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acid | amino acid amide | ||
farglitazar | farglitazar: a non-thiazolidinedione insulin sensitiser and PPARgamma agonist | ||
abt 980 | |||
methyl abietate | methyl abietate: RN given refers to (1R-(1alpha,4abeta,4balpha,10aalpha))-isomer | ||
triptophenolide | triptophenolide: structure given in first source | oxo steroid | |
chrysomycin b | |||
ly 97241 | LY 97241: clofilium analog; blocks heart potassium channels; structure given in first source | ||
12-bromododecanoic acid | 12-bromododecanoic acid : A bromo fatty acid consisting of lauric acid having a single bromo-substituent at the 12-position. | bromo fatty acid | |
mesotrione | mesotrione : An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group. mesotrione: brandname is after the Callistemon (MYRTACEAE) plant it was found in; structure in first source | aromatic ketone; beta-triketone; C-nitro compound; sulfone | carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic |
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 | |
nbi 27914 | dialkylarylamine; tertiary amino compound | ||
enzastaurin | indoles; maleimides | ||
erlotinib | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor | |
2'-hydroxyflavanone | |||
spirodiclofen | spirodiclofen: an acaricide | dichlorobenzene; gamma-lactone; organochlorine acaricide; oxaspiro compound | |
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 | ||
emd 60263 | EMD 60263: a thiadiazinone derivative; a Ca+2 sensitizer devoid of any phosphorodiesterase inhibiting properties; EMD 60264 is an enantiomer of EMD 60263; structure given in second source | ||
santamarine | santamarin : A sesquiterpene lactone of the eudesmanolide group. santamarine: sesquiterpene derivative of costunolide | sesquiterpene lactone | |
hexestrol | |||
sandoz-21-009 | indolyl carboxylate ester; isopropyl ester | ||
etravirine | aminopyrimidine; aromatic ether; dinitrile; organobromine compound | antiviral agent; HIV-1 reverse transcriptase inhibitor | |
ly 97119 | LY 97119: clofilium analog; blocks heart potassium channels; structure given in first source | ||
tripelennamine citrate | |||
benfluorex hydrochloride | |||
(-)-gallocatechin gallate | (-)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. | catechin; gallate ester; polyphenol | antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite |
dermofix | sertaconazole nitrate : A racemate comprising equimolar amounts of (R)- and (S)-sertaconazole nitrate. A broad spectrum antifungal with added antipruritic and anti-inflammatory activity used for treatment of various skin infections. | ||
2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid | 1-benzothiophenes | ||
alyssin | sulfoxide | ||
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 | |
Difeterol | diarylmethane | ||
dronedarone | dronedarone : A member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias. Dronedarone: A non-iodinated derivative of amiodarone that is used for the treatment of ARRHYTHMIA. | 1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound | anti-arrhythmia drug; environmental contaminant; xenobiotic |
tesaglitazar | tesaglitazar: structure in first source | ||
lapatinib | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
(r)-(-)-2-propyloctanoic acid | |||
albaconazole | albaconazole: UR-9825 is the (1R,2R)-isomer; structure in first source | ||
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide | boscalid : A pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals. | anilide fungicide; biphenyls; monochlorobenzenes; pyridinecarboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; environmental contaminant; xenobiotic |
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide | fenhexamid : An aromatic amide resulting from the formal condensation of the carboxy group of 1-methylcyclohexanecarboxylic acid with the amino group of 4-amino-2,3-dichlorophenol. N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide: structure in first source | anilide fungicide; aromatic amide; dichlorobenzene; monocarboxylic acid amide; phenols | antifungal agrochemical; EC 1.14.13.72 (methylsterol monooxygenase) inhibitor; sterol biosynthesis inhibitor |
famoxadone | 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione : A member of the class of oxazolidinones that is 1,3-oxazolidine-2,4-dione in which the hydrogen attached to the nitrogen is substituted by a phenylamino group and the hydrogens at position 5 are substituted by methyl and 4-phenoxyphenyl groups. famoxadone : A racemate composed of equimolar amounts of (R)- and (S)-famoxadone. It prevents spore germination and mycelial growth of sensitive fungi, and is used in agriculture for the control of various fungal diseases. Only the (S)- enantiomer is active. famoxadone: strobilurin analogue; structure in first source | aromatic ether; carbohydrazide; oxazolidinone | |
hmr 1766 | 5-chloro-2-(5-chlorothiophene-2-sulfonylamino)-N-(4-(morpholine-4-sulfonyl)phenyl)benzamide: a soluble guanylyl cyclase activator; structure in first source | ||
darunavir | darunavir : An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors. Darunavir: An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS. | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
deferasirox | deferasirox : A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions. Deferasirox: A triazole and benzoate derivative that acts as a selective iron chelator. It is used in the management of chronic IRON OVERLOAD due to blood transfusion or non-transfusion dependent THALASSEMIA. | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
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 | |
senicapoc | senicapoc: a Gardos channel blocker; structure in first source | ||
roxindole | indoles | alpha-adrenergic antagonist; serotonergic drug | |
lacosamide | Lacosamide: An acetamide derivative that acts as a blocker of VOLTAGE-GATED SODIUM CHANNELS. It is used as an anticonvulsant, for adjunctive or monotherapy, in the treatment of PARTIAL SEIZURES. | N-acyl-amino acid | |
cp 101,606 | traxoprodil mesylate: a selective NMDA antagonist; structure given in first source | ||
N-hydroxy-2-phenylacetamide | acetamides | ||
demecolcine | (-)-demecolcine : A secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic. Demecolcine: An alkaloid isolated from Colchicum autumnale L. and used as an antineoplastic. | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
1-Anilino-9,10-dioxo-2-anthroic acid | anthracenes | ||
erythritol | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite | |
estradiol 3-benzoate | 17beta-estradiol 3-benzoate : A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol. | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
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 | ||
adrenosterone | adrenosterone : A 3-oxo Delta(4)-steroid that is androst-4-ene carrying three oxo-substituents at positions 3, 11 and 17. | 11-oxo steroid; 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite; marine metabolite |
isoflupredone acetate | isoflupredone acetate: RN refers to (11beta)-isomer; structure | corticosteroid hormone | |
lilial | |||
norethindrone enanthate | norethindrone enanthate: structure in Negwer, 5th ed, #5612 | steroid ester | |
testosterone isocaproate | testosterone isocaproate: a testosterone ester | steroid ester | |
1,1-bis(4-hydroxyphenyl)cyclohexane | 1,1-bis(4-hydroxyphenyl)cyclohexane: structure in first source | diarylmethane | |
acetoxycycloheximide | acetoxycycloheximide: structure | ||
2-pyridin-4-yl-1,3-benzothiazole | benzothiazoles | ||
1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol | 1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol: suppresses Jak2-mediated pathologic cell growth; structure in first source | ||
n-hydroxy-2,2-diphenylacetamide | N-hydroxy-2,2-diphenylacetamide: a class IIa HDAC inhibitor; structure in first source | ||
6-chloroflavone | 6-chloroflavone: structure in first source | ||
methenolone enanthate | methenolone enanthate: for treatment of aplastic anemia; RN given refers to (5alpha,17beta)-isomer; structure in Negwer, 5th ed, #5625 | steroid ester | |
melengestrol acetate | Melengestrol Acetate: A 6-methyl PROGESTERONE acetate with reported glucocorticoid activity and effect on ESTRUS. | corticosteroid hormone | |
nsc 74859 | NSC 74859: inhibits Stat3 binding activity; structure in first source S3I-201 : An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid. | amidobenzoic acid; monohydroxybenzoic acid; tosylate ester | STAT3 inhibitor |
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-89199 | estramustine phosphate : A steroid phosphate which is the 17-O-phospho derivative of estramustine. | carbamate ester; organochlorine compound; steroid phosphate | |
estramustine | estramustine : A carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid. Estramustine: A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties. | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
telocinobufagin | telocinobufagin: structure | steroid lactone | |
metribolone | 17beta-hydroxy-17-methylestra-4,9,11-trien-3-one : A synthetic non-aromatisable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors. Metribolone: A synthetic non-aromatizable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors. | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid | androgen |
gardenin a | gardenin A: promotes neurite outgrowth; structure in first source | ||
nsc 95397 | 1,4-naphthoquinones | ||
1-phenyl-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one | chalcones | ||
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 |
noscapine | (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects. Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent. | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
nsc-126771 | dichloroallyl lawsone: structure | ||
santonic acid | santonic acid: santonin derivative obtained by boiling under alkaline conditions; structure in first source | ||
acivicin | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite | |
brusatol | |||
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 | |
nafronyloxalate | |||
nsc228155 | |||
hematoxylin | haematoxylin | ||
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 |
niguldipine hydrochloride | |||
cercosporin | cercosporin : An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora. cercosporin: phyytotoxin from Cercospora beticola Sacc; posses photodynamic action on mice, bacteria & plants | ||
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 |
o-(chloroacetylcarbamoyl)fumagillol | O-(chloroacetylcarbamoyl)fumagillol : A carbamate ester that is fumagillol in which the hydroxy group has been converted to the corresponding N-(chloroacetyl)carbamate derivative. O-(Chloroacetylcarbamoyl)fumagillol: Semisynthetic analog of fumagillin (a cyclohexane-sesquiterpene antibiotic isolated from ASPERGILLUS FUMIGATUS) that inhibits angiogenesis. | carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide | angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist |
2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone | 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone: structure in first source | ||
nsc 680410 | NSC 680410: a bcr/abl kinase inhibitor; structure in first source | ||
bortezomib | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor | |
8-deoxygartanin | 8-deoxygartanin: a butyrylcholinesterase inhibitor; isolated from Garcinia mangostana; structure in first source | xanthones | |
ritonavir | ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A. | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
aglafoline | aglafolin : A heterotricyclic compound based on a 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a and methoxy groups at C-6 and C-8. A platelet aggregation inhibitor found in Aglaia elliptifolia and Aglaia odorata. aglafoline: a platelet activating factor antagonist; structure given in first source; isolated from Aglaia elliptifolia | methyl ester; organic heterotricyclic compound | metabolite; platelet aggregation inhibitor |
rocaglaol | rocaglaol: a cytotoxic cyclopenta(b)benzofuran from the bark of Aglaia crassinervia; structure in first source | ||
tizoxanide | tizoxanide: major metabolite of nitazoxanide; structure in first source | salicylamides | |
trapoxin a | trapoxin B: from Helicoma ambiens; structure given in first source | ||
bardoxolone methyl | methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source | cyclohexenones | |
dcb 3503 | |||
nexavar | organosulfonate salt | ||
methylmercuric chloride | methylmercuric chloride: RN given refers to unlabeled cpd | chlorine molecular entity; mercury coordination entity; one-carbon compound | |
1-methoxy-10H-acridin-9-one | acridines | ||
gant 61 | GANT 61: a sonic hedgehog pathway inhibitor and Gli inhibitor; structure in first source GANT61 : An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor. | aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound | antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor |
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 |
lyxose | D-lyxopyranose : The pyranose form of D-lyxose. D-lyxose : Any lyxose having D-configuration. | D-lyxose | |
oxytocin | oxytocin : A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour. Oxytocin: A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on SMOOTH MUSCLE CELLS, such as causing UTERINE CONTRACTIONS and MILK EJECTION. | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
ouabain | cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE. | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
tosylphenylalanyl chloromethyl ketone | N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone. Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process. | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
beta-chloro-l-alanine | 3-chloro-L-alanine : A 3-chloroalanine that has R configutation at the chiral centre. | 3-chloroalanine; amino acid zwitterion; L-alanine derivative | |
quinidine | quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission. | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
griseofulvin | griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment. Griseofulvin: An antifungal agent used in the treatment of TINEA infections. | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
digitoxin | digitoxin : A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain. Digitoxin: A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665) | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
moxalactam disodium | |||
silver sulfadiazine | pyrimidines; silver salt; sulfonamidate | antibacterial drug; antimicrobial agent | |
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 |
metoprolol tartrate | alcohol; phenols | ||
amiodarone hydrochloride | aromatic ketone | ||
nortriptyline hydrochloride | organic tricyclic compound | geroprotector | |
mefloquine hydrochloride | |||
erythromycin estolate | Erythromycin Estolate: A macrolide antibiotic, produced by Streptomyces erythreus. It is the lauryl sulfate salt of the propionic ester of erythromycin. This erythromycin salt acts primarily as a bacteriostatic agent. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins. | aminoglycoside sulfate salt; erythromycin derivative | enzyme inhibitor |
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 | |
(S)-bicalutamide | (S)-bicalutamide : A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide. | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | |
propiverine hydrochloride | diarylmethane | ||
glaucarubinone | carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol | antimalarial; antineoplastic agent; geroprotector; 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 |
brucine | brucine: was heading 1991-94 (see under STRYCHNINE 1975-90); DIMETHOXYSTRYCHNINE was see BRUCINE 1975-94; use STRYCHNINE to search BRUCINE 1975-94; very toxic alkaloid from Nux vomica similar to strychnine; used as reagent in analytical chemistry; was MH 1991-94 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | |
isopimaric acid | isopimaric acid: isolated from the bark of Illicium jadifengpi | carbotricyclic compound; diterpenoid; monocarboxylic acid | |
11alpha,13-dihydrohelenalin | sesquiterpene lactone | ||
bisabolol | Kamillosan: drug combination containing chamomile and bisabolol; used to treat dermatitis | sesquiterpenoid | |
ochratoxin a | ochratoxin A : A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum. ochratoxin A: structure in first source & in Merck, 9th ed, #6549 | isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative | Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent |
securinine | securinine: a quinolizine pseudoalkaloid (not from amino acid) from Securinega suffurutiosa or Securinini nitras | indolizines | |
syringaresinol | (+)-syringaresinol : The (7alpha,7'alpha,8alpha,8'alpha)-stereoisomer of syringaresinol. | syringaresinol | antineoplastic agent |
acriflavine | Acriflavine: 3,6-Diamino-10-methylacridinium chloride mixt. with 3,6-acridinediamine. Fluorescent dye used as a local antiseptic and also as a biological stain. It intercalates into nucleic acids thereby inhibiting bacterial and viral replication. | ||
devazepide | devazepide : An indolecarboxamide obtained by formal condensation of the carboxy group of indole-2-carboxylic acid with the exocyclic amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. A cholecystokinin antagonist used for treatment of gastrointestinal disorders. Devazepide: A derivative of benzodiazepine that acts on the cholecystokinin A (CCKA) receptor to antagonize CCK-8's (SINCALIDE) physiological and behavioral effects, such as pancreatic stimulation and inhibition of feeding. | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
carubicin | carminomycin : A toxic anthracycline antibiotic that is produced by Actinomadura carminata and also has potent antineoplastic activity. | aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones | antineoplastic agent; apoptosis inducer |
eplerenone | Eplerenone: A spironolactone derivative and selective ALDOSTERONE RECEPTOR antagonist that is used in the management of HYPERTENSION and CONGESTIVE HEART FAILURE, post-MYOCARDIAL INFARCTION. | 3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester | aldosterone antagonist; antihypertensive agent |
tolterodine | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant | |
paramethasone acetate | corticosteroid hormone | ||
epitiostanol | epitiostanol: used in therapy of advanced breast cancer; structure | organic molecular entity | |
doxorubicin hydrochloride | anthracycline | ||
dibenzepin hydrochloride | dibenzodiazepine | ||
medigoxin | Medigoxin: A semisynthetic digitalis glycoside with the general properties of DIGOXIN but more rapid onset of action. Its cardiotonic action is prolonged by its demethylation to DIGOXIN in the liver. It has been used in the treatment of congestive heart failure (HEART FAILURE). | cardenolide glycoside | |
vinpocetine | vinpocetine: whole issue of Arzneim Forsch (23 articles) discuss this drug; Arzneim Forsch 26(10a);1976; RN given refers to parent cpd with unspecified isomeric designation | alkaloid | geroprotector |
lephetamine | lephetamine: RN given refers to (R)-(-)-isomer; structure | stilbenoid | |
estramustine phosphate sodium | estramustine sodium phosphate : An organic sodium salt which is the disodium salt of estramustine phosphate. | organic sodium salt | |
tibolone | tibolone : Estran-3-one with a double bond between positions 5 and 10, and bearing both an ethynyl group and a hydroxy group at position 17 (R-configuration). A synthetic steroid hormone drug which acts as an agonist at all five type I steroid hormone receptors, it is used in the prevention of postmenopausal osteoporosis and for treatment of endometriosis. tibolone: used in prevention of postmenopausal osteoporosis | 17beta-hydroxy steroid; terminal acetylenic compound | bone density conservation agent; hormone agonist |
loteprednol etabonate | Loteprednol Etabonate: An androstadiene derivative corticosteroid that is used as an ANTI-ALLERGIC AGENT for the treatment of inflammatory and allergic eye conditions. | 11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester | anti-inflammatory drug |
darifenacin | darifenacin : 2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence. | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
roxithromycin | erythromycin derivative; macrolide; semisynthetic derivative | antibacterial drug | |
aconitic acid | trans-aconitic acid : The trans-isomer of aconitic acid. | aconitic acid | fundamental metabolite |
e-z cinnamic acid | cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | cinnamic acid | plant metabolite |
trichostatin a | trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
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 |
alpha-cyclodextrin | alpha-cyclodextrin : A cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units. | cyclodextrin | |
farnesol | (2-trans,6-trans)-farnesol : The (2-trans,6-trans)-stereoisomer of farnesol. farnesol : A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. Farnesol: A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed) | farnesol | plant metabolite |
resveratrol | trans-resveratrol : A resveratrol in which the double bond has E configuration. | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
retinol | all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol 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). vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication. Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products. | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
docosahexaenoate | all-cis-docosa-4,7,10,13,16,19-hexaenoic acid : A docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19. docosahexaenoate : A polyunsaturated fatty acid anion that is the conjugate base of docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. docosahexaenoic acid : Any C22 polyunsaturated fatty acid containing six double bonds. efalex: a mixture of fish oil and primrose oil; used as a high-docosahexaenoic acid fatty acid supplement | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
palmitoleic acid | hexadecenoate : A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | hexadec-9-enoic acid | algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite |
oleic acid | oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed) | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
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 |
ferulic acid | ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
(3R,5S)-fluvastatin | (3R,5S)-fluvastatin : A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which the stereocentres beta- and delta- to the carboxy group have R and S configuration, respectively. The drug fluvastatin is an equimolar mixture of this compound and its enantiomer. | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid; statin (synthetic) | |
cocaine | cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake. | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
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 |
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 |
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 | ||
gw 3965 | GW 3965: a liver X receptor ligand | diarylmethane | |
t0901317 | T0901317: an LXRalpha and LXRbeta agonist | ||
epothilone b | epothilone; epoxide | antineoplastic agent; apoptosis inducer; microtubule-stabilising agent | |
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 | |
adenosine-5'-(n-ethylcarboxamide) | Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity. N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group. | adenosines; monocarboxylic acid amide | adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
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 |
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 | ||
alitretinoin | Alitretinoin: A retinoid that is used for the treatment of chronic hand ECZEMA unresponsive to topical CORTICOSTEROIDS. It is also used to treat cutaneous lesions associated with AIDS-related KAPOSI SARCOMA. | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
afimoxifene | afimoxifene : A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen. | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
decitabine | 2'-deoxyribonucleoside | ||
valrubicin | anthracycline; trifluoroacetamide | ||
pa 824 | pretomanid: nitroimidazopyran derived from 5-nitroimidazoles; a prodrug that requires activation by a bacterial F420-depedent glucose-6-phosphate dehydrogenase (Fgd) and nitroreductase to activate components that then inhibit bacterial mycolic acid and protein synthesis; structure in first source | ||
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 | |
wr-142,490 | (+)-(11R,2'S)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (+)-(11R,2'S)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown. | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
diclazuril | nitrile | ||
dactinomycin | Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015) | actinomycin | mutagen |
azaserine | azaserine : A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species. Azaserine: Antibiotic substance produced by various Streptomyces species. It is an inhibitor of enzymatic activities that involve glutamine and is used as an antineoplastic and immunosuppressive agent. | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
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 |
7-methoxyflavone | 7-methoxyflavone: an aromatase inhibitor | ether; flavonoids | |
ravuconazole | ER 30346: structure in first source ravuconazole : A member of the class of triazoles that is 1-butyl-1H-1,2,4-triazole in which the butyl group is substituted at positions 2, 2, and 3 by hydroxy, 2,4-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively (the R,R stereoisomer). It exhibits antifungal activity by inhibition of 14alpha demethylase, an enzyme involved in sterol synthesis, resulting in lysis of the fungal cell wall and fungal cell death. (NCIO4) | 1,3-thiazoles; fluorobenzenes; nitrile; tertiary alcohol; triazoles | antifungal drug; antileishmanial agent; EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor; ergosterol biosynthesis inhibitor |
ganoderic acid a | triterpenoid | ||
ganoderiol f | ganoderiol F: a ganoderma triterpene from Ganoderma amboinense; structure in first source | triterpenoid | |
rubitecan | rubitecan : A pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group. It is a prodrug for 9-aminocamptothecin. rubitecan: RN refers to (+-)-isomer; anti-HIV agent; DNA Topoisomerases, Type I inhibitor | C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
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 |
glyasperin D | glyasperin D : A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4', methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis. | aromatic ether; hydroxyisoflavans; methoxyisoflavan | plant metabolite |
2-methyl-5-(4-methylanilino)-1,3-benzothiazole-4,7-dione | aminotoluene | ||
4-(2-oxazolo[4,5-b]pyridinyl)aniline | 1,3-oxazoles | ||
bay 57-1293 | pritelivir: herpes simplex virus 1 helicase-primase inhibitor | ||
riboflavin | vitamin B2 : Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms). | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
bms-488043 | BMS-488043: anti-HIV agent | ||
8-isopentenylnaringenin | 8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first source | flavanones | |
potassium perchlorate | potassium perchlorate: thyroid antagonist; structure | ||
sodium acetate, anhydrous | Sodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant. | organic sodium salt | NMR chemical shift reference compound |
sodium benzoate | sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function. | organic sodium salt | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
IPA-3 | IPA-3 : An organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol. | naphthols; organic disulfide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
3-chlorodibenzofuran | 3-chlorodibenzofuran: structure given in first source | ||
ditiocarb sodium | organic molecular entity | ||
bromochloroacetic acid | bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process. Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION. | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester | heteroarene | ||
1-(phenylmethyl)benzimidazole | benzimidazoles | ||
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first source | aromatic ether | |
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one | organonitrogen heterocyclic compound; oxacycle | ||
2-(2-phenoxyethylsulfonyl)-1H-benzimidazole | benzimidazoles; sulfoxide | ||
methyl indole-3-carboxylate | methyl indole-3-carboxylate : The methyl ester of indole-3-carboxylic acid. | indoles; methyl ester | metabolite |
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-dithiazolimine | dimethoxybenzene | ||
tolfenamic acid | tolfenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 3-chloro-2-methylphenyl group. Tolfenamic acid is used specifically for relieving the pain of migraine. It also shows anticancer activity. tolfenamic acid: structure | aminobenzoic acid; organochlorine compound; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
artemisin | |||
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine | C-nitro compound | ||
methyl triclosan | methyl triclosan: structure in first source | ||
idarubicin hydrochloride | anthracycline | ||
pirarubicin hydrochloride | anthracycline | ||
safrazine hydrochloride | benzodioxoles | ||
niflumic acid | strictifolione: structure in first source | ||
cinnamaldehyde | (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. 3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer. | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
2-hydroxycinnamic acid | 2-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. trans-2-coumaric acid : The trans-isomer of 2-coumaric acid. | 2-coumaric acid; phenols | antioxidant; metabolite |
2,4-hexadienal | (E,E)-2,4-hexadienal : A hexadienal that is hexanal with trans double bonds at positions 2 and 4. It is found in tomatoes, kiwi fruit, mangoes, potato chips, herbs and spices. 2,4-hexadienal: RN given refers to compound with no isomeric designation hexadienal : An enal that is hexadiene carrying an oxo group at position 1. | hexadienal; polyunsaturated fatty aldehyde; volatile organic compound | flavouring agent; plant metabolite |
dimethyl fumarate | diester; enoate ester; methyl ester | antipsoriatic; immunomodulator | |
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 | |
fumaronitrile | |||
retinaldehyde | all-trans-retinal : A retinal in which all four exocyclic double bonds have E- (trans-) geometry. Retinaldehyde: A diterpene derived from the carotenoid VITAMIN A which functions as the active component of the visual cycle. It is the prosthetic group of RHODOPSIN (i.e., covalently bonded to ROD OPSIN as 11-cis-retinal). When stimulated by visible light, rhodopsin transforms this cis-isomer of retinal to the trans-isomer (11-trans-retinal). This transformation straightens-out the bend of the retinal molecule and causes a change in the shape of rhodopsin triggering the visual process. A series of energy-requiring enzyme-catalyzed reactions convert the 11-trans-retinal back to the cis-isomer. | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
piperine | piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
retinol acetate | retinol acetate: structure given in first source | acetate ester | |
squalene | Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
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 |
4-stilbazole | 4-stilbazole: RN given refers to parent cpd; structure | ||
dibromobutenediol | |||
2-methoxycinnamaldehyde | 2-methoxycinnamaldehyde: inhibits growth & mycotoxin production in fungi; structure | cinnamaldehydes | |
xanthoangelol | xanthoangelol: from Angelica keiskei; structure given in first source; RN given refers to (E,E)-isomer | ||
sorbic acid | (2E,4E)-hexa-2,4-dienoic acid : A sorbic acid having trans-double bonds at positions 2 and 4; a food preservative that can induce cutaneous vasodilation and stinging upon topical application to humans. It is the most thermodynamically stable of the four possible geometric isomers possible, as well as the one with the highest antimicrobial activity. sorbic acid : A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. Sorbic Acid: Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses. | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
ricinoleic acid | ricinoleic acid : A (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration.. ricinoleic acid: RN given refers to (R-(Z))-isomer; structure in Merck Index, 9th ed, #8005 | (9Z)-12-hydroxyoctadec-9-enoic acid | |
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 |
lypressin | Lypressin: The porcine antidiuretic hormone (VASOPRESSINS). It is a cyclic nonapeptide that differs from ARG-VASOPRESSIN by one amino acid, containing a LYSINE at residue 8 instead of an ARGININE. Lys-vasopressin is used to treat DIABETES INSIPIDUS or to improve vasomotor tone and BLOOD PRESSURE. | cyclic peptide | |
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 | ||
9-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide | benzothiazine | ||
5-hydroxy-N,N-dimethyl-2-phenyl-3-benzofurancarboxamide | benzofurans | ||
N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide | anilide | ||
2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-one | heteroarene | ||
N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamide | aminoquinoline | ||
N-(4-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide | anilide | ||
2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | benzenes | ||
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide | anilide | ||
6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | pyrazolopyrimidine | ||
N-cyclopropyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide | sulfonamide | ||
1-(4-chlorophenyl)-N-(2-furanylmethyl)-N-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]methanamine | aromatic amine | ||
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide | piperazines | ||
2-[(2-cyclohexyl-4-quinazolinyl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide | quinazolines | ||
1-phenyl-4-[[1-(phenylmethyl)-5-tetrazolyl]-(3-pyridinyl)methyl]piperazine | piperazines | ||
1-[(1-cyclopentyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine | piperazines | ||
trilostane | trilostane : An epoxy steroid that is 3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4alpha and 5 alpha positions. trilostane: inhibits conversion of pregnenolone to progesterone; adrenal blocking agent used in treatment of Cushing's syndrome | 17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile | abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor |
lanatoside c | lanatoside C: RN given refers to (3beta,5beta,12beta)-isomer | ||
polidocanol | polidocanol : A hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group. Polidocanol: An alkyl polyglycol ether of LAURYL ALCOHOL, chemically defined as an alcohol ethoxylate having an average alkyl chain of 12–14 carbon atoms, and an ethylene oxide chain of 9 ethylene oxide units. It is used as a detergent, and medically as a local anesthetic, and as a sclerosing agent for the treatment of ESOPHAGEAL AND GASTRIC VARICES and VARICOSE VEINS. | hydroxypolyether | hepatotoxic agent; nonionic surfactant; sclerotherapy agent |
cefsulodin sodium | organic molecular entity | ||
tropisetron | tropisetron : An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine. Tropisetron: An indole derivative and 5-HT3 RECEPTOR antagonist that is used for the prevention of nausea and vomiting. | indolyl carboxylic acid | |
benidipine hydrochloride | |||
iaa 94 | indanones | ||
xe 991, anthracenone | 10,10-bis(4-pyridinylmethyl)-9(10H)-anthracenone: neurotransmitter release enhancer and potassium channel blocker; structure given in first source | anthracenes | |
tiamulin | tiamulin : A carbotricyclic compound that is pleuromutilin in which the hydroxyacetate group is replaced by a 2-{[2-(diethylamino)ethyl]sulfanyl}acetate group. An antibacterial drug, tiamulin is used in veterinary medicine (generally as its hydrogen fumarate salt) for the treatment of swine dysentery caused by Serpulina hyodysenteriae. tiamulin: 81723 HFU and tiamutin are for fumarate salt; prevents senescence in ascomycete; pleuromutilin derivative; RN given refers to ((3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-isomer | carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid | antibacterial drug |
N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamide | sulfonamide | ||
diethylstilbestrol dipropionate | diethylstilbestrol dipropionate: RN given refers to parent cpd | ||
fludarabine | purine nucleoside | ||
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | alkylbenzene | ||
methamilane methiodide | |||
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide | aromatic amide | ||
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide | benzothiazine | ||
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2,2-bis(trifluoromethyl)butanamide | aromatic amide | ||
5-bromo-3-ethyl-1H-indole-2-carboxylic acid | indolyl carboxylic acid | ||
N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide | anilide | ||
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol | dichlorobenzene | ||
1-(2,1,3-benzoxadiazol-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone | benzoxadiazole | ||
1-[1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide | pyrrolidines | ||
N-[2-[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester | dichlorobenzene | ||
5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
chlorprothixene | (E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration. | chlorprothixene | |
dienestrol | dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively. Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms. | ||
mercaptopurine | mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis. Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia. purine-6-thiol : A thiol that is the tautomer of mercaptopurine. | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
methisazone | Methisazone: An antiviral agent effective against pox viruses. | ||
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione | aromatic ether | ||
N-(4-phenylmethoxyphenyl)methanesulfonamide | sulfonamide | ||
3,4-methylenedioxy-beta-nitrostyrene | 3,4-methylenedioxy-beta-nitrostyrene: tyrosine kinase inhibitor that prevents platelet glycoprotein IIb/IIIa activation; structure in first source | ||
thioinosine | Thioinosine: Sulfhydryl analog of INOSINE that inhibits nucleoside transport across erythrocyte plasma membranes, and has immunosuppressive properties. It has been used similarly to MERCAPTOPURINE in the treatment of leukemia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p503) | ||
(e)-3-(4-t-butylphenyl)-n-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide | 3-(4-t-butylphenyl)-N-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide: a vanilloid receptor 1 antagonist and antihyperalgesic agent; structure in first source | ||
sch-202676 | SCH-202676: An allosteric modulator of both agonist and antagonist binding to G protein-coupled receptors; structure in first source | ||
4-methoxy-N-(3-pyridinylmethyl)benzamide | benzamides | ||
aceglatone | |||
3,6-dihydroxyflavone | 3,6-dihydroxyflavone: induces apoptosis in leukemia HL-60 cells; structure in first source | ||
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1-benzopyran-4-one | flavones | ||
6-methylflavone | 6-methylflavone: structure in first source | ||
caffeic acid | trans-caffeic acid : The trans-isomer of caffeic acid. | caffeic acid | geroprotector; mouse metabolite |
3-(4-methylbenzoyl)acrylic acid | carbonyl compound | ||
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine | aralkylamine | ||
captax | 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group. captax: RN given refers to parent cpd | aryl thiol; benzothiazoles | carcinogenic agent; metabolite |
diphenylthiourea | N,N'-diphenylthiourea : Thiourea in which each nitrogen carries a phenyl substituent. | thioureas | allergen |
n-phenyl-n'-2-pyridylthiourea | N-phenyl-N'-2-pyridylthiourea: structure in first source | ||
4-chloro-1-methyl-3-nitro-2-quinolinone | nitro compound; quinolines | ||
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile | benzenes; nitrile | ||
4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazolimine | methoxybenzenes; substituted aniline | ||
10-methyl-3-phenothiazinamine | phenothiazines | ||
vu0038882 | VU0038882: structure in first source | ||
2-(thiophen-2-ylmethylidene)indene-1,3-dione | cyclic ketone; indanones | ||
N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-furancarboxamide | aromatic amide; heteroarene | ||
5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester | aromatic amine; thiophenes | ||
alpha-naphthyl thiourea | alpha-naphthyl thiourea: structure | naphthalenes | |
1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea | ureas | ||
2,4,6-trimethyl-n-(meta-3-trifluoromethylphenyl)benzenesulfonamide | 2,4,6-trimethyl-N-(meta-3-trifluoromethylphenyl)benzenesulfonamide: stimulates phospholipase C; structure in first source | sulfonamide | |
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one | aromatic compound | ||
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide | benzamides | ||
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole | aromatic ether | ||
4-chloro-1-ethyl-3-nitro-2-quinolinone | nitro compound; quinolines | ||
3,5-dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazole | naphthalenes; sulfonic acid derivative | ||
5-(4-chlorophenyl)-2-furanpropionic acid | 5-(4-chlorophenyl)-2-furanpropionic acid: related to orpanoxin; structure given in first source | ||
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide | isoquinolines | ||
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester | toluenes | ||
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one | pyrazoles; ring assembly | ||
(1e,4e)-1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one | |||
4,4'-sulfonylbis[2-(prop-2-en-1-yl)phenol] | sulfonic acid derivative | ||
N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine | benzothiazoles | ||
7-benzyloxy-4-trifluoromethylcoumarin | 7-benzyloxy-4-trifluoromethylcoumarin: a substrate for CYP3A4 | ||
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide | sulfonamide | ||
5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester | pyrazoles; ring assembly | ||
isoeugenol | trans-isoeugenol : The trans-stereoisomer of isoeugenol. | isoeugenol | plant metabolite |
6-amino-2-mercaptobenzothiazole | |||
n-phenyl-n'-3-hydroxyphenylthiourea | |||
5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-1-benzopyran-2-one | coumarins | ||
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamide | thioureas | ||
7,8-dichloropyrido[1,2-a]benzimidazole | pyridobenzimidazole | ||
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | aromatic ether | ||
parthenolide, (1ar-(1ar*,4e,7as*,10as*,10br*))-isomer | germacranolide | ||
flunarizine | Flunarizine: Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy. | diarylmethane | |
thiothixene | |||
dieldrin | dieldrin : An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin. Dieldrin: An organochlorine insecticide whose use has been cancelled or suspended in the United States. It has been used to control locusts, tropical disease vectors, in termite control by direct soil injection, and non-food seed and plant treatment. (From HSDB) | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
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 |
4-(2-naphthalenyloxymethyl)-2-thiazolamine | naphthalenes | ||
1-(4-bromophenyl)-3-(2-fluorophenyl)thiourea | thioureas | ||
1-(3,4-dichlorophenyl)-3-(3,5-dimethylphenyl)thiourea | thioureas | ||
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide | sulfonamide | ||
2-[(1,5-diphenyl-2-imidazolyl)thio]-N-(2-furanylmethyl)acetamide | imidazoles | ||
umi-77 | UMI-77: an Mcl-1 inhibitor; structure in first source | ||
tenovin-1 | tenovin-1: a SIRT1 inhibitor with antineoplastic activity; structure in first source | thioureas | |
3-(n-benzylsulfamoyl)-4-bromo-n-(4-bromophenyl)benzamide | 3-(N-benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide: stimulates RAD51 DNA-binding activity to promote cancer cell death; structure in first source | ||
2-[2-oxo-2-(2,2,4,6-tetramethyl-1-quinolinyl)ethyl]isoindole-1,3-dione | quinolines | ||
benztropine | benzatropine : Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. Benztropine: A centrally active muscarinic antagonist that has been used in the symptomatic treatment of PARKINSON DISEASE. Benztropine also inhibits the uptake of dopamine. | diarylmethane | |
n-(1,3-benzothiazol-2-yl)-n-(4,5-dihydro-1h-imidazol-2-yl)amine | N-(1,3-benzothiazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)amine: structure in first source | ||
N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazide | carbohydrazide; pyrazines | ||
2-[[(5-ethyl-2-thiophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester | aromatic carboxylic acid; thiazoles | ||
N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-4-isoxazolecarboxamide | aromatic amide | ||
nootkatone | (+)-nootkatone : A sesquiterpenoid that is 4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one which is substituted by methyl groups at positions 4 and 4a, and by an isopropenyl group at position 6 (the 4R,4aS,6R stereoisomer). nootkatone: RN given refers to cpd without isomeric designation; structure given in first source | carbobicyclic compound; enone; sesquiterpenoid | fragrance; insect repellent; plant metabolite |
vu0405601 | VU0405601: reduces sensitivity of hERG to inhibition by multiple blockers and prevents arrhythmias; structure in first source | ||
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | aromatic ether | ||
darunavir ethanolate | phenothiazines | ||
1-(4-bromophenyl)-3-(3-methylbutyl)thiourea | thioureas | ||
N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-chloro-2-methoxybenzamide | benzimidazoles | ||
N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamide | aryl sulfide | ||
2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzothiazole | benzothiazoles | ||
2-[[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzonitrile | benzimidazoles | ||
8,9-dimethyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)ethyl]-4H-[1,3]thiazino[6,5-b]quinolin-2-imine | quinolines | ||
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide | quinazolines | ||
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)-3-methyl-2-furancarboxamide | aromatic amide; furans | ||
4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimine | organochlorine compound | ||
4-[(2-chloro-5-thiazolyl)methylthio]benzoic acid | sulfanylbenzoic acid | ||
N,N-dimethylcarbamic acid [4-[2-(4-fluorophenyl)sulfonyl-1-oxoethyl]-2,6-dimethylphenyl] ester | aromatic ketone | ||
(4-chlorophenyl)-[4-[[(2,4-dichlorophenyl)thio]methyl]-4-hydroxy-1-piperidinyl]methanone | benzamides; N-acylpiperidine | ||
6-fluoro-2-phenyl-1,2-benzothiazol-3-one | benzothiazoles | ||
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
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 |
enclomiphene | Enclomiphene: The trans or (E)-isomer of clomiphene. | ||
zuclomiphene | Zuclomiphene: The cis or (Z)-isomer of clomiphene. | stilbenoid | |
terbinafine | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor | |
n-(fluorenyl-9-methoxycarbonyl)leucine | N-(fluorenyl-9-methoxycarbonyl)leucine: a leumedin; RN given for (L)-isomer | ||
1-phenyl-2-nitropropene | 1-phenyl-2-nitropropene: RN given refers to cpd without isomeric designation | ||
cyqualon | |||
methoprene | methoprene | ||
4-methyl-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide | benzoic acids | ||
5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl ester | aromatic amide; thiophenes | ||
N-[[[2-(2-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | methoxybenzenes | ||
N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide | benzoic acids | ||
chlorogenic acid | caffeoylquinic acid: Antiviral Agent; structure in first source chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | cinnamate ester; tannin | food component; plant metabolite |
2,6-bis(2,5-dimethoxybenzylidene)cyclohexanone | 2,6-bis(2,5-dimethoxybenzylidene)cyclohexanone: an anti-inflammatory agent that down-regulates cyclooxygenase-2 expression; structure in first source | ||
3-(3-hydroxypropylamino)-7-methyl-1-(pentylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile | naphthyridine derivative | ||
tg 003 | TG 003: a Clk inhibitor; structure in first source | ||
2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile | aromatic ketone | ||
3-(3-fluoro-4-methoxyphenyl)-5-phenyl-7-furo[3,2-g][1]benzopyranone | diarylheptanoid | ||
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline | aromatic ether | ||
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole | aromatic ether | ||
N-(4,5-diphenyl-2-oxazolyl)-3-methoxybenzamide | 1,3-oxazoles | ||
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine | pyrimido-indole | ||
3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzotriazoles; triazolothiadiazole | ||
2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-one | aryl sulfide | ||
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide | sulfonamide | ||
N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide | pyrazoles; ring assembly | ||
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-diphenyl-3-pyrazolecarboxamide | pyrazoles; ring assembly | ||
2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamide | pyrazoles; ring assembly | ||
2-methyl-3-[oxo(thiophen-2-yl)methyl]-1-indolizinecarboxaldehyde | indolizines | ||
6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-one | benzoxazine | ||
N-[3-(6-methyl-4-phenyl-2-quinolinyl)phenyl]methanesulfonamide | quinolines | ||
4-(dipropylsulfamoyl)-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide | sulfonamide | ||
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 | ||
1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea | indoles | ||
thiocyanic acid [2-(1-naphthalenyl)-2-oxoethyl] ester | naphthalenes | ||
mcb-613 | cyclic ketone; enone; pyridines | antineoplastic agent; steroid receptor coactivator stimulator | |
4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide | sulfonamide | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamide | dibenzofurans | ||
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide | sulfonamide | ||
N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2,2-dimethylpropanamide | carbonyl compound; organohalogen compound | ||
1-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone | quinolines | ||
4-methyl-N-(2-phenylphenyl)-3-(phenylsulfamoyl)benzamide | benzamides | ||
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid | benzamides | ||
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 | ||
N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-phenyl-4-quinolinecarboxamide | quinolines | ||
2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolamine | aryl sulfide | ||
7-methyl-3-(phenylhydrazo)-1,5-benzodiazepin-2-one | phenylhydrazines | ||
3-(4-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide | pyrazoles; ring assembly | ||
2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-one | sulfonamide | ||
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamide | benzamides | ||
2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanone | aromatic ketone | ||
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamide | quinolines | ||
N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methyl-2-pyrazinecarboxamide | pyrazines; secondary carboxamide | ||
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 | ||
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone | piperazines | ||
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide | quinazolines | ||
3-(1H-indol-3-yl)propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester | indolyl carboxylic acid | ||
7-[(4-acetylphenoxy)methyl]-5-thiazolo[3,2-a]pyrimidinone | aromatic ketone | ||
thioguanine anhydrous | Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
Pregnenolone acetate | steroid ester | ||
tacrine hydrochloride | |||
5-chloro-2-mercaptobenzothiazole | |||
brij-58 | Cetomacrogol: Non-ionic surfactant of the polyethylene glycol family. It is used as a solubilizer and emulsifying agent in foods, cosmetics, and pharmaceuticals, often as an ointment base, and also as a research tool. | ||
benzoylarginine nitroanilide | |||
digoxin | digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small. Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666) | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
malachite green | |||
quinacrine monohydrochloride | |||
5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile | substituted aniline | ||
mecysteine hydrochloride | alpha-amino acid ester | ||
tamoxifen citrate | citrate salt | angiogenesis inhibitor; anticoronaviral agent | |
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 | |
tetraoctylammonium bromide | tetraoctylammonium bromide: a phase transfer reagent | ||
1-butyl-3-methylimidazolium hexafluorophosphate | 1-butyl-3-methylimidazolium hexafluorophosphate: structure in first source | ||
1-methyl-3-octylimidazolium chloride | 1-methyl-3-octylimidazolium chloride: use as an ionic liquid solution 3-methyl-1-octylimidazolium chloride : An organic chloride salt in which the cationic component is 3-methyl-1-octylimidazolium. | organic chloride salt | |
1-hexadecyl-3-methylimidazolium chloride | 1-hexadecyl-3-methylimidazolium chloride: structure in first source | ||
1-octyl-3-methylimidazolium hexafluorophosphate | 1-octyl-3-methylimidazolium hexafluorophosphate: is a nonaqueous ionic liquid | ||
6-hydroxyflavanone | 6-hydroxyflavanone : A monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 6. | monohydroxyflavanone | fungal xenobiotic metabolite |
Betaine Aldehyde Chloride | quaternary ammonium salt | ||
2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid | benzenes | ||
4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine | 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine : A member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively. | aminopyrimidine; isoxazoles | |
N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamide | anilide | ||
3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione | dichlorobenzene | ||
t 0070907 | T 0070907: a PPARgamma antagonist; structure in first source | carbonyl compound; organohalogen compound | |
stattic | 1-benzothiophenes; C-nitro compound; sulfone | antineoplastic agent; radiosensitizing agent; STAT3 inhibitor | |
6-Chlorobenzo[d]isoxazol-3-ol | benzisoxazole | ||
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 |
3-[1-(2,4-dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine | pyridines; pyrrolidines | ||
N'-(4-tert-butyl-2-thiazolyl)-4-chlorobenzohydrazide | carbonyl compound; organohalogen compound | ||
6-methyl-2-[[(4-methylanilino)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester | ureas | ||
2-[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester | aromatic amide; furans | ||
2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | monoterpenoid | ||
2-(4-pentylphenyl)acetic acid | benzenes | ||
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione | pyrrolidines | ||
1-hexadecyl-3-methylimidazolium bromide | 1-hexadecyl-3-methylimidazolium bromide: structure in first source | ||
1-(3,5-dichlorophenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dione | pyrrolidines | ||
nemadipine-a | nemadipine-A : A dihydropyridine that is that is 1,4-dihydropyridine which is substituted at positions 2 and 6 by methyl groups, at positions 3 and 5 by ethoxycarbonyl groups, and at position 4 by a pentafluorophenyl group. An L-type calcium channel alpha1-subunit antagonist. When exposed to the microscopic soil nematode Caenorhabditis elegans, nemadipine-A induces a variety of defects including those affecting morphology and egg laying. nemadipine-A: structure in first source | dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; pentafluorobenzenes | calcium channel blocker |
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester | pyrazoles; ring assembly | ||
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile | pyrrolidines | ||
4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester | amidobenzoic acid | ||
1-[8-chloro-4-(1-naphthalenyl)-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl]ethanone | quinolines | ||
kl001 | KL001: inhibits degradation of the cryptochrome; structure in first source | ||
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione | isoquinolines | ||
N-(1-butyl-2-benzimidazolyl)cyclohexanecarboxamide | benzimidazoles | ||
2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide | sulfonamide | ||
5-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxopentanoic acid | thiophenecarboxylic acid | ||
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide | 1-benzothiophenes | ||
2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid | pyrrolidines | ||
4-[hydroxy(diphenyl)methyl]-N-(2-phenylethyl)-1-piperidinecarbothioamide | diarylmethane | ||
2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid | benzamides | ||
N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide | benzamides | ||
4-[[2-(4-ethyl-3-oxo-2-morpholinyl)-1-oxoethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide | diarylmethane | ||
5-chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinol | organochlorine compound; quinolines | ||
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamide | aromatic amide; thiophenes | ||
[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone | benzoic acids | ||
4-[[3-[(4-chlorophenyl)sulfonylamino]-2-quinoxalinyl]amino]-1-piperidinecarboxylic acid ethyl ester | quinoxaline derivative | ||
1-(4-methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine | piperazines | ||
cb 7969312 | organochlorine compound; quinolines | ||
1-(2-methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazole | tetrazoles | ||
zeranol | Zeranol: A non-steroidal estrogen analog. | macrolide | |
2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrile | quinazolines | ||
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 | ||
fursultiamin | Fursultiamin: Compound used for therapy of thiamine deficiency. It has also been suggested for several non-deficiency disorders but has not yet proven useful. | pyrimidines | |
hmr 3647 | |||
maraviroc | tropane alkaloid | ||
nnd 502 | luliconazole: structure in first source | dichlorobenzene | |
LSM-1318 | oxa-steroid | ||
1,4-dimethoxy-10H-acridine-9-thione | acridines | ||
toremifene citrate | stilbenoid | anticoronaviral agent | |
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 |
thiophanate | thiophanate-methyl : A member of the class of thioureas that is the dimethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. | benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas | antifungal agrochemical |
thiophanate | thiophanate : A member of the class of thioureas that is the diethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. Thiophanate: Nematocide used in livestock; also has fungicidal properties. | benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas | antifungal drug |
naproxol | naproxol : An aromatic ether in which the substituents on oxygen are 6-[(2S)-1-hydroxypropan-2-yl]-2-naphthyl and methyl. | aromatic ether | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dolasetron | indolyl carboxylic acid | ||
or 1259 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent | |
zuclomifene citrate | |||
fenchlorazole-ethyl | fenchlorazole-ethyl: an herbicide safener | dichlorobenzene | |
almokalant | almokalant: structure given in first source | ||
orlistat | orlistat : A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug. Orlistat: A lactone derivative of LEUCINE that acts as a pancreatic lipase inhibitor to limit the absorption of dietary fat; it is used in the management of obesity. | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
azoxystrobin | azoxystrobin : An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture. azoxystrobin: a methoxyacrylate analog; a strobilurin fungicide; structure given in first source | aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic |
omephine | omephine: do not confuse with omifin, synonym to clomiphene dihydrogen citrate; structure in Negwer, 5th ed, #2964 | ||
sr 11217 | SR 11217: structure given in first source | ||
glyceryl nonivamide | N-(4-O-glycerol-3-methoxybenzyl)nonivamide: structure given in first source | ||
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 | ||
(R,R)-asenapine | (R,R)-asenapine : A 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have R configuration. | 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | |
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 | ||
hcl of 3,4-methylenedioxyethamphetamine | |||
safingol | safingol: RN given refers to the (R-(R*,S*))-isomer | amino alcohol | |
trequinsin hydrochloride | |||
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 | ||
emetine dihydrochloride | emetine dihydrochloride : The dihydrochloride salt of emetine. emetine dihydrochloride hydrate : A hydrate that is the monohydrate of the dihydrochloride salt of emetine. | hydrochloride | anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor |
bigelovin | bigelovin : A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. bigelovin: a potent cytotoxic sesquiterpene lactone from Inula sp.; structure given in first source; RN refers to (3aR-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9abeta))-isomer | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite |
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 |
desmethylanethol trithione | desmethylanethol trithione: metabolite of anethol trithione; structure given in first source | ||
benzyltetrahydropalmatine | |||
sideroxylin | sideroxylin : A monomethoxyflavone that is flavone substituted by a methoxy group at position 7, hydroxy groups at positions 5 and 4' and methyl groups at positions 6 and 8. It has been isolated from Hydrastis canadensis and Eucalyptus species. sideroxylin: from Hydrastis canadensis; structure in first source | dihydroxyflavone; monomethoxyflavone | plant metabolite |
mefexamide | |||
verticillins | verticillins: 3 antibiotics isolated from imperfect fungus Verticillium: verticillin A, verticillin B (mono-3-hydroxymethyl analog of verticillin A), & verticillin C (differs from verticillin B in that 1 of dioxopiperazine rings has a trisulfide rather than a disulfide bridge; active against gram-positive bacteria & mycobacteria but not against gram-negative bacteria & fungi; RN given refers to cpd with unknown MF; structure (verticillins A & B)) | ||
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-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone | carbonyl compound; organohalogen compound | ||
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-3-methylbutanoic acid | phenylpyridine | ||
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 | ||
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
[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-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamide | phenothiazines | ||
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamide | thiazoles | ||
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester | carboxylic acid; piperidines | ||
2-(3-phenyl-1-indazolyl)acetic acid methyl ester | alpha-amino acid ester | ||
5-(4-chlorophenyl)-N-(2-furanylmethyl)-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
benzatropine methanesulfonate | benzatropine mesylate : The methanesulfonate salt of benzatropine. An acetylcholine receptor antagonist, it is used in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. | ||
24,25-epoxycholesterol | 24,25-epoxycholesterol: Rn given refers to (3alpha,5beta)-isomer; structure given in first source 24(S),25-epoxycholesterol : A 3beta-hydroxy-Delta(5)-steroid that is desmosterol in which the double bond at position 24-25 has been oxidised to the corresponding epoxide (the 24S diastereoisomer). It is an oxysterol agonist of the liver X receptor. | 3beta-hydroxy-Delta(5)-steroid; cholestanoid; epoxy steroid | liver X receptor agonist |
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester | C-nitro compound; thiophenes | ||
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide | tetralins | ||
1,8-dinitro-4,5-dihydroxyanthraquinone | 1,8-dinitro-4,5-dihydroxyanthraquinone: structure in first source | ||
quinoxyfen | quinoxyfen : A member of the class of quinolines carrying two chloro substituents at positions 5 and 7 together with a 4-fluorophenoxy substituent at position 4. A fungicide used mainly to control powdery mildew in cereals. quinoxyfen: structure in first source | aromatic ether; monofluorobenzenes; organochlorine compound; quinolines | antifungal agrochemical |
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 |
4-amino-2-nitrophenol | 2-nitrophenols | ||
sodium dodecyl sulfate | sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate. Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry. | organic sodium salt | detergent; protein denaturant |
1-(3,4-dichlorophenyl)-3-[1-(4-morpholinyl)-1-phenylpropan-2-yl]urea | ureas | ||
ro 41-0960 | |||
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide | quinolines | ||
5-chloro-7-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinol | organochlorine compound; quinolines | ||
1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione | pyrrolidines | ||
Angolensin | ketone | ||
2-amino-4-nitrophenol | 4-nitrophenols | ||
N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide | anilide | ||
7-(5-bromo-2-fluorophenyl)-5-(4-bromophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine | triazolopyrimidines | ||
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamide | C-nitro compound; thiophenes | ||
sb 242084 | 6-chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline: 5-HT(2C) receptor inverse agonist (antagonist); structure in first source | ||
2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester | alpha-amino acid ester | ||
2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine | pyrazoles; ring assembly | ||
3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide | C-nitro compound | ||
N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide | benzamides | ||
1-(4-chlorophenyl)-3-[2-(2-furanylmethyl)cyclohexyl]urea | ureas | ||
2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-one | benzimidazoles | ||
1-(2-fluorophenyl)-3-(N-(phenylmethyl)anilino)thiourea | phenylhydrazines | ||
tripropylene glycol diacrylate | tripropylene glycol diacrylate: a component of UV-Cured Lacquer; structure given in first source | ||
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 |
1-(3,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea | thioureas | ||
epi 001 | bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether : The (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) diether of bisphenol A; a small molecule that inhibits transactivation of the AR amino-terminal domain (NTD). EPI 001: an antineoplastic agent and androgen receptor antagonist; structure in first source | diether; organochlorine compound | androgen antagonist |
2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazole | benzimidazoles | ||
3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide | carbonyl compound; organohalogen compound | ||
stx-0119 | STX-0119: antineoplastic; structure in first source | ||
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide | sulfonamide | ||
N-[4-[(1,2-dimethyl-5-indolyl)methylsulfamoyl]phenyl]acetamide | sulfonamide | ||
2-nitro-4-phenylenediamine | 2-nitro-4-phenylenediamine: 2-nitro-1,4-benzenediamine; RN given refers to parent cpd 2-nitro-p-phenylenediamine : A primary amino compound that is p-phenylenediamine in which one of the hydrogens attached to the benzene ring is replaced by a nitro group. It is a cosmetic hair dye intermediate that is used in permanent hair colouring products (diluted 1:1 with an oxidising agent prior to application). | C-nitro compound; primary amino compound | |
sitagliptin | sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity. | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide | tetralins | ||
4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimine | organochlorine compound | ||
LSM-16446 | pyridopyrimidine | ||
2,4-dichloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide | tetralins | ||
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester | C-nitro compound; thiophenes | ||
tolcapone | tolcapone : Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase. Tolcapone: A benzophenone and nitrophenol compound that acts as an inhibitor of CATECHOL O-METHYLTRANSFERASE, an enzyme involved in the metabolism of DOPAMINE and LEVODOPA. It is used in the treatment of PARKINSON DISEASE in patients for whom levodopa is ineffective or contraindicated. | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
5-Nitroisatin | indoles | anticoronaviral agent | |
1-(2,4-difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]urea | ureas | ||
3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-(5-methyl-2-thiazolyl)benzamide | sulfonamide | ||
2-[(2-chlorophenyl)methoxy]-N-(4,5-dihydrothiazol-2-yl)benzamide | benzoic acids | ||
5'-bromo-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]one | organonitrogen compound; organooxygen compound | ||
1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea | ureas | ||
N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | naphthalenes | ||
LSM-4833 | quinolines | ||
N-(4-Nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide | aromatic amide | anticoronaviral agent | |
2-amino-5-nitrophenol | 2-amino-5-nitrophenol: RN & structure given in first source | 3-nitrophenols | |
np 118809 | 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one: an N-type calcium channel blocker; structure in first source | ||
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 | |
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 | ||
1,2-diamino-4-nitrobenzene | 1,2-diamino-4-nitrobenzene: reagent for determination of selenium in milk with gas chromatograph 4-nitro-1,2-phenylenediamine : The primary amino compound that is 1,2-phenylenediamine (o-phenylenediamine) substituted at the 4- (para-) position by a nitro group. | C-nitro compound; primary amino compound | |
ex 527 | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source | carbazoles; monocarboxylic acid amide; organochlorine compound | |
2-[(1-methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone | piperazines | ||
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-2-furancarboxamide | dichlorobenzene | ||
4,5,6,7-tetrabromobenzimidazole | 4,5,6,7-tetrabromobenzimidazole: structure in first source | ||
4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester | benzoate ester | ||
sib 1757 | SIB 1757: a selective mGluR5 antagonist; structure in first source | ||
sodium butyrate | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector | |
dibutyl maleate | |||
benzyl cinnamate | benzyl cinnamate : The cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent. benzyl cinnamate: structure in first source | cinnamate ester | antigen; epitope; fixative; flavouring agent; fragrance |
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 | |
dinoprostone | prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
biochanin a | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor | |
formononetin | 4'-methoxyisoflavones; 7-hydroxyisoflavones | phytoestrogen; plant 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 | |
linoleic acid | linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed) | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
calcitriol | dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
scopoletin | hydroxycoumarin | plant growth regulator; plant metabolite | |
vomifoliol | (6S,9R)-vomifoliol : A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. blumenol A: a phytotoxin isolated from Oryza sativa Awaakamai; structure in first source vomifoliol : A fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4. | (6S)-vomifoliol | metabolite; phytotoxin |
hymecromone | Hymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID. | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
5'-o-caffeoylquinic acid | trans-5-O-caffeoyl-D-quinic acid : A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. | cinnamate ester; cyclitol carboxylic acid | 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 |
apigetrin | apigenin 7-O-beta-D-glucoside : A glycosyloxyflavone that is apigenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. apigetrin: structure given in first source | beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative | antibacterial agent; metabolite; non-steroidal anti-inflammatory drug |
alprostadil | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent | |
cholecalciferol | calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24. | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
kaempferol | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite | |
zeaxanthin | Zeaxanthins: Carotenoids found in fruits and vegetables. Zeaxanthin accumulates in the MACULA LUTEA. | carotenol | antioxidant; bacterial metabolite; cofactor |
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 |
gamma-linolenic acid | gamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12. gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed) | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
alpha-linolenic acid | linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid. linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins. | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
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 |
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 | |
amphotericin b | amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections. Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela. | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
pulmicort | budesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis. Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS. | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen |
prochlorperazine maleate | maleate salt | ||
oxymetholone | oxymetholone : A 3-oxo-5alpha- steroid that is 4,5alpha-dihydrotestosterone which is substituted by a hydroxymethylidene group at position 2 and by a methyl group at the 17alpha position. A synthetic androgen, it was mainly used for the treatment of anaemias until being replaced by treatments with fewer side effects. Oxymetholone: A synthetic hormone with anabolic and androgenic properties. It is used mainly in the treatment of anemias. According to the Fourth Annual Report on Carcinogens (NTP 85-002), this compound may reasonably be anticipated to be a carcinogen. (From Merck Index, 11th ed) | ||
pyrvinium | pyrvinium : A quinolinium ion that is 1-methylquinolinium substituted by dimethylamino group at position 6 and a (E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl at position 2. It is a anthelminthic drug active against pinworms. The salts of pyrvinium can also be used as anticancer agents. pyrvinium: RN given refers to parent cpd; synonyms vanquin & vankin refer to pamoate[2:1]; structure in Merck Index, 9th ed, #7810 | quinolinium ion | anthelminthic drug; antineoplastic agent |
clothiapine | maleate salt | ||
bisoprolol fumarate | fumarate salt | ||
clemastine fumarate | clemastine fumarate : The fumaric acid salt of clemastine. An antihistamine with antimuscarinic and moderate sedative properties, it is used for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions. | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
mycophenolate mofetil | mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases. | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
entacapone | entacapone : A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group. entacapone: structure given in first source | 2-nitrophenols; catechols; monocarboxylic acid amide; nitrile | antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
paricalcitol | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug | |
2-hexenal, z-isomer | (2E)-hexenal : A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. 2-hexenal : A hexenal having the double bond at the 2-position. 2-hexenal: product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal; RN given refers to cpd without isomeric designation | 2-hexenal | antibacterial agent; flavouring agent; plant metabolite |
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 | |
canthaxanthin | canthaxanthin : A carotenone that consists of beta,beta-carotene bearing two oxo substituents at positions 4 and 4'. Canthaxanthin: A trans-carotenoid pigment widely distributed in nature. The compound is used as an oral suntanning agent and as a food and drug coloring agent. Oral ingestion of the compound causes canthaxanthin retinopathy. | carotenone | biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite |
lutein | Lutein: A xanthophyll found in the major LIGHT-HARVESTING PROTEIN COMPLEXES of plants. Dietary lutein accumulates in the MACULA LUTEA. xanthophyll : A subclass of carotenoids consisting of the oxygenated carotenes. | carotenol | food colouring; plant metabolite |
polydatin | zeaxanthin dipalmitate: from fruit of Lycium chinense; structure in first source | xanthophyll | |
strigol | strigol : A strigolactone in which the tricyclic lactone moiety bears a hydroxy substitutuent at the position para to the gem-dimethyl group. strigol: a strigolactone from roots of various PLANTS; it stimulates seed germination of parasitic STRIGA and OROBANCHE; structure in first source | indenofuran; secondary alcohol; strigolactone | |
Rhynchophylline | indolizines | metabolite | |
esculin | beta-D-glucoside; hydroxycoumarin | antioxidant; metabolite | |
costunolide | germacranolide; heterobicyclic compound | anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite | |
molephantinin | molephantinin: germacranolide from Elephantopus mollis; RN given refers to (3aR-(3aR*,4S*(E),6E,9Z,11S*,11aS*))-isomer; structure in first source | germacranolide | |
alpha-farnesene | alpha-farnesene : A farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively. alpha-farnesene: structure given in first source farnesene : A sesquiterpene that is any of the four possible isomers of 3,7,11-trimethyl-1,3,6,10-dodecatetraene (alpha-farnesene) or of the two possible isomers of 7,11-dimethyl-3-methylene-1,6,10-dodecatriene. | alpha-farnesene | |
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 |
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 |
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 |
gartanin | gartanin : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 5 and 8 and prenyl groups at positions 2 and 4. | polyphenol; xanthones | antineoplastic agent; plant metabolite |
mangostin | alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. mangostin: xanthone from rind of Garcinia mangostana Linn. fruit | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
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 | |
wogonin | wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. wogonin: structure in first source | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
daidzein | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite | |
trans-2,3',4,5'-tetrahydroxystilbene | trans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrol | stilbenoid | |
Pinosylvin methyl ether | stilbenoid | ||
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 |
rosmarinic acid | (R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration. rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. rosmarinic acid: RN given refers to parent cpd; promote OT project | rosmarinic acid | geroprotector; plant metabolite |
prunetin | prunetin : A hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group. prunetin: reduces herpes virus-1 plaque formation | 7-methoxyisoflavones; hydroxyisoflavone | anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
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 |
Licarin A | benzofurans | ||
3,3',4-o-trimethylellagic acid | 3,7,8-tri-O-methylellagic acid: structure given in first source | tannin | |
cyhalothrin | cyhalothrin : A carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. cyhalothrin: acaricidal & insecticidal synthetic pyrethroid; structure given in first source | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
hydramethylnon | hydramethylnon : A member of the class of hydrazones that is used as an insecticide for control of ants and cockroaches. hydramethylnon: used as fire ant insecticide in southern USA; poorly absorbed by mammals & more than 95% is excreted unchanged in the feces | hydramethylnon | |
flupenthixol | cis-flupenthixol : A flupenthixol in which the double bond adopts a cis-configuration. | flupenthixol | dopaminergic antagonist |
7-hydroxyflavone | 7-hydroxyflavone : A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group. | hydroxyflavonoid | |
tectochrysin | tectochrysin : A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. tectochrysin: structure in first source | monohydroxyflavone; monomethoxyflavone | antidiarrhoeal drug; antineoplastic agent; plant metabolite |
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 |
cilnidipine | 2-methoxyethyl ester; C-nitro compound; dihydropyridine | antihypertensive agent; calcium channel blocker; cardiovascular drug | |
gamma-oryzanol | cycloartenyl ferulate: antinociceptive agent from rice bran; structure in first source | triterpenoid | |
uf 021 | isopropyl unoprostone : The isopropyl ester of unoprostone. isopropyl unoprostone: a safe and effective ocular hypotensive drug | isopropyl ester; ketone; prostaglandins Falpha | antiglaucoma drug; antihypertensive agent; prodrug |
tocoretinate | tocoretinate: a hybrid compound composed of alpha-tocopherol esterified with retinoic acid; RN refers to (2R*(4R*,8R*)-(+-))-isomer | tocol | |
pelubiprofen | pelubiprofen: RN & structure given in first source; RN not in Chemline 3/84 | ||
tak 147 | TAK 147: structure given in first source | ||
sofalcone | sofalcone : A member of the class of chalcones that is benzene in which the hydrogens at positions 1,2 and 5 are replaced by carboxymethoxy, (1E)-1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-oxoprop-1-en-3-yl, and (3-methylbut-2-en-1-yl)oxy groups, respectively. It is a gastrointestinal drug currently used for treatment of gastritis and gastric ulcers in Japan and South Korea. | aromatic ether; chalcones; monocarboxylic acid | anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite |
l 735821 | L 735821: inhibits KCNQ2 channels | N-acyl-amino acid | |
trimipramine maleate | maleate salt | antidepressant | |
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 |
menatetrenone | menaquinone-4 : A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
etretinate | retinoid : Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. | enoate ester; ethyl ester; retinoid | keratolytic drug |
isotretinoin | isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases. Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects. | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
misoprostol | misoprostol : A diastereoisomeric mixture composed of approximately equal amounts of a double racemate of four of the sixteen possible diastereoisomers of methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that is racemic prostaglandin E1 which is lacking the hydroxy group at position 15, but which has an additional hydroxy group at position 16. It is a synthetic prostaglandin E1 analogue, used in the treatment of gastric and duodenal ulcers. A weak abortifacient, it is also used for cervical ripening prior to surgical termination of pregnancy. The (11R,16S)-diastereoisomer is the pharmacologically active form. Misoprostol: A synthetic analog of natural prostaglandin E1. It produces a dose-related inhibition of gastric acid and pepsin secretion, and enhances mucosal resistance to injury. It is an effective anti-ulcer agent and also has oxytocic properties. | ||
irsogladine | dichlorobenzene | ||
triprolidine | triprolidine : An N-alkylpyrrolidine that is acrivastine in which the pyridine ring is lacking the propenoic acid substituent. It is a sedating antihistamine that is used (generally as the monohydrochloride monohydrate) for the relief of the symptoms of uticaria, rhinitis, and various pruritic skin disorders. Triprolidine: Histamine H1 antagonist used in allergic rhinitis; ASTHMA; and URTICARIA. It is a component of COUGH and COLD medicines. It may cause drowsiness. | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
nk 104 | pitavastatin calcium : The calcium salt of pitavastatin. Used for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise. | calcium salt; statin (synthetic) | antioxidant |
levomepromazine maleate | |||
homatropine | tropane alkaloid | ||
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 |
2,4-decadienal | (2E,4E)-deca-2,4-dienal : A polyunsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce trans- double bonds at the 2-3 and 4-5 positions. A product of lipid peroxidation in cell membranes and a component of cooking oil fumes. | polyunsaturated fatty aldehyde | apoptosis inducer; nematicide |
cinnamyl anthranilate | benzoate ester | ||
codeine | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic | |
cyclosporine | ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
di-allate | di-allate: RN given refers to cpd without isomeric designation; structure | tertiary amine | |
methyl linoleate | fatty acid methyl ester | plant metabolite | |
perhexiline maleate | |||
phenoxybenzamine hydrochloride | organic molecular entity | ||
phenylephrine hydrochloride | Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine. | hydrochloride | |
mepyramine maleate | histosol: proprietary mixture of synthetic aromatic hydrocarbons forming an extremely nonpolar organic solvent | ||
quercetin | |||
beta-nitrostyrene | beta-nitrostyrene: RN given refers to cpd without isomeric designation | ||
tetrachlorvinphos | Tetrachlorvinphos: An organophosphate cholinesterase inhibitor that is used as an insecticide. It has low mammalian toxicity. (From Merck Index, 11th ed) | alkenyl phosphate; dialkyl phosphate; organochlorine insecticide; organophosphate insecticide; trichlorobenzene | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
toxaphene | |||
zinc dibutyldithiocarbamate | zinc dibutyldithiocarbamate : A dithiocarbamate salt that is the zinc salt of dibutyldithiocarbamic acid. zinc dibutyldithiocarbamate: vulcanization accelator | dithiocarbamate salt; zinc molecular entity | antifungal agrochemical |
acitretin | acitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9. Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate. | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
dorzolamide | dorzolamide : 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension. dorzolamide: topically effective ocular hypotensive carbonic anhydrase inhibitor; RN refers to mono-HCl (4S-trans)-isomer | sulfonamide; thiophenes | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
oxycodone | oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain. Oxycodone: A semisynthetic derivative of CODEINE. | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
vitamin k 1 | phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity. | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
proscillaridin | Proscillaridin: A cardiotonic glycoside isolated from Scilla maritima var. alba (Squill). | organic molecular entity | |
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 |
afimoxifene | |||
lg 100567 | ALRT 1550: ALRT1550 is (2E,4E,6E)-isomer; LG100567 is (2E,4E,6Z)-isomer; structure given in first source | ||
as 604850 | |||
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 |
fenretinide | 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids. Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent. | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
geldanamycin | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound | antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor | |
gw 5638 | 3-(4-(1,2-diphenylbut-1-enyl)phenyl)acrylic acid: exhibits estrogen agonist activity in bone and estrogen antagonist activity in uterus; structure in first source | ||
nutlin 2 | |||
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin | 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin: structure in first source alvespimycin : A 19-membered macrocyle that is geldanamycin in which the methoxy group attached to the benzoquinone moiety has been replaced by a 2-(N,N-dimethylamino)ethylamino group. | 1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound | Hsp90 inhibitor |
morphine | Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn. | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
su 9516 | |||
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid: RN refers to (E)-isomer; structure given in first source arotinoid acid : A retinoid that consists of benzoic acid substituted at position 4 by a 2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl group. It is a synthetic retinoid that acts as a selective agonist for the retinoic acid receptors (RAR). | benzoic acids; naphthalenes; retinoid | antineoplastic agent; retinoic acid receptor agonist; teratogenic agent |
2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide | 1,3-oxazoles | ||
N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
3-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one | 4'-methoxyisoflavones | ||
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrazinamine | benzodioxoles | ||
2-[[cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamide | aromatic amide; thiophenes | ||
acipimox | acipimox: lipolysis inhibitor | pyrazinecarboxylic acid | |
butaprost | |||
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide | benzamides | ||
esomeprazole magnesium | benzimidazoles; sulfoxide | ||
olvanil | methoxybenzenes; phenols | ||
sb 277011 | SB 277011: structure in first source | ||
l 365260 | L 365260: a CCK-B antagonist; structure given in first source; potent & selective CCK-B & gastrin receptor ligand; L 365260 and L 365346 are (R)- and (S)-stereoisomers, respectively | benzodiazepine | |
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 |
lacidipine | cinnamate ester; tert-butyl ester | ||
mdl 100907 | Serotonin 5-HT2 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes. | ||
onapristone | onapristone: induces vaginal bleeding and luteal regression in monkeys; structure given in first source; progesterone antagonist | ||
silodosin | silodosin: an alpha(1a)-adrenoceptor-selective antagonist; structure given in first source | indolecarboxamide | |
bornyl ferulate | bornyl ferulate: structure in first source | hydroxycinnamic acid | |
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 |
crenulatin coumarin | |||
calycosin-7-o-beta-d-glucopyranoside | calycosin-7-O-beta-D-glucoside : A glycosyloxyisoflavone that is calycosin substituted by a beta-D-glucopyranosyl residue at position at 7 via a glycosidic linkage. calycosin-7-O-beta-D-glucoside: from Radix Astragali | 4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | |
andrographolide | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite | |
2-oleoylglycerol | 2-oleoylglycerol : A 2-monoglyceride where the acyl group is (9Z)-octadecenoyl. | 2-acylglycerol 18:1; monooleoylglycerol | |
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 |
fluvoxamine | fluvoxamine : An oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder. Fluvoxamine: A selective serotonin reuptake inhibitor that is used in the treatment of DEPRESSION and a variety of ANXIETY DISORDERS. | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
spd-304 | SPD-304: structure in first source | ||
arcyriaflavin a | arcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first source | indolocarbazole | |
tyrphostin b44 | tyrphostin B44: inhibits protein kinases; an analog of tyrphostin B46; B44(+) is B50, and is the stereoisomer of B44(-) | ||
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 |
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 | |
palbociclib | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | |
tinopal cbs-x | Tinopal CBS-X: RN given refers to parent cpd | ||
nifuroxazide | nifuroxazide: structure | benzoic acids | |
4-[4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranoside | glycoside; lignan | ||
stilbamidine | stilbamidine: RN given refers to parent cpd | ||
romidepsin | depsipeptide : A natural or synthetic compound having a sequence of amino and hydroxy carboxylic acid residues (usually alpha-amino and alpha-hydroxy acids), commonly but not necessarily regularly alternating. | cyclodepsipeptide; heterocyclic antibiotic; organic disulfide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
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 |
bay 11-7085 | BAY11-7085 : A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB. | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid : A dihydroxy monocarboxylic acid that is N-isopropylindole which is substituted at position 3 by a p-fluorophenyl group and at position 2 by a 6-carboxy-3,5-dihydroxyhex-1-en-1-yl group. It has four possible diastereoisomers. | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
5,7-dihydroxy-4-methylcoumarin | hydroxycoumarin | ||
prosultiamine | |||
cinnamoylhydroxamic acid | cinnamoylhydroxamic acid: RN given refers to parent cpd | ||
mevinphos | Mevinphos: An organophosphate cholinesterase inhibitor that is used as an insecticide. | ||
furanoheliangolide | furanoheliangolide: structure in first source | ||
bromebric acid | bromebric acid: major descriptor (74-86); on line search ACRYLATES (74-86); INDEX MEDICUS search BROMEBRIC ACID (74-86); RN given refers to parent cpd | carbonyl compound | |
lotensin | hydrochloride | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | |
alloocimene | (4E,6E)-2,6-dimethylocta-2,4,6-triene : An ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer). alloocimene: representative of carotenoid polyenes; RN given refers to cpd without isomeric designation | ocimene | semiochemical |
2-(4-(dimethylamino)styryl)benzothiazole | 2-(4-(dimethylamino)styryl)benzothiazole: structure in first source | ||
bedaquiline | bedaquiline : A quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria. bedaquiline: a diarylquinoline Antitubercular Agent | aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound | antitubercular agent; ATP synthase inhibitor |
vinblastine sulfate | |||
serratin | serratin: isolated from the essential oil of Clerodendron serratum; structure in first source | neoflavonoid | |
parthenolide | |||
nitrofurazone | nitrofurazone : A semicarbazone resulting from the formal condensation of semicarbazide with 5-nitrofuraldehyde. A broad spectrum antibacterial drug, although with little activity against Pseudomonas species, it is used as a local application for burns, ulcers, wounds and skin infections. Nitrofurazone: A topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial WOUNDS AND INJURIES and skin infections. Nitrofurazone has also been administered orally in the treatment of TRYPANOSOMIASIS. | ||
aztreonam | |||
heroin | heroin : A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses. Heroin: A narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the U.S. Code of Federal Regulations, Title 21 Parts 329.1, 1308.11 (1987). Sale is forbidden in the United States by Federal statute. (Merck Index, 11th ed) | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
dextromethorphan hydrobromide | dextromethorphan hydrobromide : The hydrobromide and monohydrate of the antitussive drug dextromethorphan. | hydrate; hydrobromide | |
indinavir sulfate | azaheterocycle sulfate salt | ||
beta-aminopropionitrile fumarate (2:1) | beta-aminopropionitrile hemifumarate : A fumarate salt prepared from beta-aminopropionitrile by reaction of one molecule of fumaric acid for every two molecules of beta-aminopropionitrile. | fumarate salt | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
quinaldine blue | quinaldine blue: RN given refers to chloride; structure | cyanine dye; organic iodide salt | fluorochrome |
ubistatin a | ubistatin A: inhibits cyclin B proteolysis and degradation of ubiquitinated Sic1; structure in first source | ||
zerumbone | zerumbone : A sesquiterpenoid and cyclic ketone that is (1E,4E,8E)-alpha-humulene which is substituted by an oxo group at the carbon atom attached to two double bonds. It is obtained by steam distillation from a type of edible ginger, Zingiber zerumbet Smith, grown particularly in southeast Asia. zerumbone: RN given for (E,E,E)-isomer; structure in first source | cyclic ketone; sesquiterpenoid | anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite |
sulindac sulfone | sulindac sulfone : A sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor. sulindac sulfone: inhibits K-ras-dependent cyclooxygenase-2; sulfated analog of indomethacin;; CP248 is an antineoplastic agent that fosters microtubule depolymerization; structure in first source | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
ceftriaxone | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor | |
tiotropium bromide | tiotropium bromide : An organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. Tiotropium Bromide: A scopolamine derivative and CHOLINERGIC ANTAGONIST that functions as a BRONCHODILATOR AGENT. It is used in the treatment of CHRONIC OBSTRUCTIVE PULMONARY DISEASE. | ||
alvimopan anhydrous | alvimopan: mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for pain | peptide | |
ildamen | |||
olomoucine ii | olomoucine II: structure in first source | ||
vx680 | N-arylpiperazine | ||
bms 806 | BMS 806: prevents entry of HIV into cells by binding HIV envelope protein gp120; no further info available 4/2002 | ||
beta-Mangostin | xanthones | ||
9-Hydroxycalabaxanthone | xanthones | ||
guanabenz acetate | dichlorobenzene | geroprotector | |
fendiline hydrochloride | |||
bromhexine hydrochloride | bromhexine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of bromhexine and hydrogen chloride. It is used as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum). | hydrochloride | mucolytic |
methylbenzethonium chloride | alkylbenzene | ||
quipazine maleate | |||
quinaldine red | quinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure | ||
3,3'-diethylthiacarbocyanine iodide | benzothiazoles; cyanine dye | fluorochrome | |
chloride of pseudoisocyanine | 1,1'-diethyl-2,2'-cyanine halide; organic chloride salt | ||
5233705 compound | |||
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one | pyridochromene | ||
3',4'-dihydroxyaurone | 3',4'-dihydroxyaurone : A hydroxyaurone that is aurone which is substituted by hydroxy groups at the 3' and 4' positions; major species at pH 7.3. It shows inhibitory activity against several isoforms of the histone deacetylase complex (HDAC). | catechols; hydroxyaurone | EC 3.5.1.98 (histone deacetylase) inhibitor |
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one | 6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one: structure given in first source; potent irreversible, mechanism-based inhibitor of myocardial calcium-independent phospholipase A2 | naphthalenes | |
metochalcone | metochalcone: structure | ||
kresoxim-methyl | kresoxim-methyl : A carboxylic ester that is the methyl ester of (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fungal diseases on a wide range of crops. kresoxim-methyl: strobilurin analogue; an industrial fungicide | aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic |
nitrovin | Nitrovin: An antibacterial growth promoter used in animal feeds. | C-nitro compound; furans | |
flavokawain C | flavokawain C: antineoplastic from roots of Kava (Piper methysticum Forst); structure in first source | chalcones | |
22,23-dihydroavermectin b(1)a | 22,23-dihydroavermectin B(1)a: C48H74O14; major component of IVERMECTIN; MW 875.093; structure given in first source 22,23-dihydroavermectin B1a : A macrocyclic lactone that is avermectin B1a in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the major component of ivermectin. | macrocyclic lactone; spiroketal | |
triphenyltin hydroxide | fentin hydroxide : An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a hydroxy group. A fungicide used to control a variety of infections including blight on potatoes, leaf spot on sugar beet and alternaria blight on carrots. | ||
bismuth oxychloride | bismuth oxychloride: active against rotaviruses and enteric viruses | ||
palonosetron | palonosetron : An organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. Palonosetron: Isoquinoline and quinuclidine derivative that acts as a 5-HT3 RECEPTOR antagonist. It is used in the prevention of nausea and vomiting induced by cytotoxic chemotherapy, and for the prevention of post-operative nausea and vomiting. | azabicycloalkane; delta-lactam; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
epoprostenol sodium | prostanoid | ||
agn 191659 | AGN 191659: a retinoid x receptor pan-agonist; structure in first source | ||
psammaplin a | psammaplin A: isolated from marine sponges Poecillastra and Jaspis; structure in second source | ||
(-)-catechin-3-O-gallate | (-)-catechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. | flavans; gallate ester; polyphenol | metabolite |
sinequan | dibenzooxazepine | ||
Adenosine 5'-monophosphate monohydrate | purine ribonucleoside monophosphate | ||
enclomiphene citrate | |||
cyc 116 | 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source | ||
pyrachlostrobin | pyraclostrobin : A carbamate ester that is the methyl ester of [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamic acid. A fungicide used to control major plant pathogens including Septoria tritici, Puccinia spp. and Pyrenophora teres. | aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles | antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic |
lasalocid sodium | lasalocid sodium : The sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry. | benzoates; organic sodium salt | coccidiostat; ionophore |
diphenoxylate hydrochloride | diphenoxylate hydrochloride : The hydrochloride salt of diphenoxylate. | hydrochloride | antidiarrhoeal drug |
mg 624 | triethyl-(beta-4-stilbenoxyethyl)ammonium: inhibits alpha7 nicotinic receptors; structure in first source | ||
avermectin b(1)a | avermectin B(1)a: RN given refers to avermectin B(1)a; see also avermectins & demethylavermectins | avermectin | |
flupirtine | |||
sclerotiorin | sclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first source | azaphilone | |
13-cis-retinal | 13-cis-retinal : A retinal in which the double bond alpha- to the aldehyde group has cis configuration, whilst the remaining acyclic double bonds have trans configuration. | retinal | human metabolite |
triticonazole | triticonazole : A racemate comprising equal amounts of (R)- and (S)-triticonazole. A seed treatment fungicide for the control of common bunt, loose smut and covered smut on barley, oats and wheat. triticonazole: a fungicide triticonazole | ||
rehmannic acid | rehmannic acid: toxic principle, triterpene acid from Lantana camara; RN given refers to (22beta-(Z))-isomer; structure | ||
diniconazole | (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol : A member of the class of triazoles that is 4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol substituted at position 1 by a 2,4-dichlorophenyl group. diniconazole : A racemate comprising equimolar amounts of (R)- and (S)-diniconazole. A fungicide used to control a range of diseases including mildew, bunts and smuts. diniconazole: structure given in first source | dichlorobenzene; olefinic compound; secondary alcohol; triazoles | |
lumefantrine | lumefantrine : A member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria. Lumefantrine: A fluorene derivative that is used in combination with ARTEMETHER for the treatment of MALARIA (see ARTEMETHER-LUMEFANTRINE DRUG COMBINATION). | fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine | antimalarial |
piericidin a | piericidin A : A member of the class of monohydroxypyridines that acts as an irreversible mitochondrial Complex I inhibitor that strongly associates with ubiquinone binding sites in both mitochondrial and bacterial forms of NADH:ubiquinone oxidoreductase piericidin A: pyridine-substituted fatty alcohol antibiotic; minor descriptor (75-85); on-line & Index Medicus search ANTIBIOTICS (75-85); RN given refers to (S-(R*,R*-(all-E)))-isomer | aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol | antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor |
3-o-methylbutein | 3-O-methylbutein: RN given refers to (E)-isomer; structure given in first source | chalcones | |
agn 191701 | AGN 191701: retinoid X receptors agonist; RN refers to (E)-isomer; structure given in first source | ||
4-hydroxyderricin | 4-hydroxyderricin: from Angelica keiskei; RN given refers to (E)-isomer; structure in first source | chalcones | |
trichostatin c | trichostatin C: glycosylated trichostatin A; structure given in first source; do not confuse with TRICHOSANTHIN | O-amino sugar; trichostatin | |
4-o-carboxymethylascochlorin | 4-O-carboxymethylascochlorin: RN given refers to (1R-(1alpha(2E,4E),2beta,6beta))-isomer | ||
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 | ||
valerenic acid | valerenic acid : A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant. valerenic acid: a saturated oplopanone type indene from Valeriana officinalis | carbobicyclic compound; monocarboxylic acid; sesquiterpenoid | GABA modulator; plant metabolite; sedative; volatile oil component |
everolimus | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor | |
lg100754 | LG 100754: retinoic acid receptors antagonist & agonist; a mixed function retinoid whose activity is dimer-selective; structure given in first source | ||
bifenthrin | bifenthrin : A carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol. bifenthrin: a type I pyrethroid kappa-bifenthrin : A carboxylic ester obtained by formal condensation of the carboxy group of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid with the hydroxy group of [(2-methyl-1,1'-biphenyl)-3-yl]methanol. | carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound | pyrethroid ester acaricide; pyrethroid ester insecticide |
laq824 | LAQ824: Histone deacetylase inhibitor | ||
pregna-4,17-diene-3,16-dione, (17z)-isomer | |||
axitinib | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist | |
su 4312 | SU4312 : A member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group. SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity. | ||
rilpivirine | aminopyrimidine; nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor | |
su 11248 | |||
indigo carmine | 3,5-di-O-(E)-caffeoylquinic acid: from roots of Lychnophora ericoides; structure in first source 3,5-di-O-caffeoyl quinic acid : A carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of (-)-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities. | ||
hylin | |||
opc-67683 | OPC-67683: an antitubercular agent | piperidines | |
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 |
gw 1929 | GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first source | benzophenones | |
cefpodoxime proxetil | cefpodoxime proxetil : The 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis. cefpodoxime proxetil: structure given in first source; prodrug for cefpodoxime | carboxylic acid; carboxylic ester; cephalosporin | antibacterial drug; prodrug |
norgestimate | ketoxime; steroid ester; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive | |
gw2974 | GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2 | pyridopyrimidine | |
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 | |
pd 404182 | |||
dantrolene sodium | dantrolene sodium (anhydrous) : The anhydrous sodium salt of dantrolene. | ||
cycloheximide | piperidones | ||
nitrofurantoin | nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA. Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression. | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
dibenzheptropine citrate | deptropine citrate : A citrate salt that is the dihydrogen citrate salt of deptropamine. | ||
tubacin | tubacin: inhibits histone deacetylase 6; structure in first source | 1,3-oxazoles | |
nifurtimox | Nifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS. | nitrofuran antibiotic | |
ispinesib | benzamides | ||
gsk5182 | GSK5182: an estrogen-related receptor gamma inverse agonist | ||
tetrahydrogestrinone | 3-hydroxy steroid | ||
fumagillin | antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide | angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor | |
a 38503 | |||
dapiprazole hydrochloride | |||
bufogenin | bufogenin : A steroid lactone of Chan su (toad venom), a Chinese medicine obtained from the skin venom gland of toads. A specific Na/K-ATPase protein inhibitor, it is used as a cardiotonic and central nervous system (CNS) respiratory agent, an analgesic and anesthetic, and as a remedy for ulcers. bufogenin: respiratory stimulant; from toad; structure | epoxy steroid; steroid lactone | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
granisetron hydrochloride | aromatic amide; indazoles | ||
ciclesonide | ciclesonide: nasal spray approved for seasonal and perennial allergic rhinitis | organic molecular entity | |
edelfosine | (R)-edelfosine : A 1-octadecyl-2-methylglycero-3-phosphocholine that is the (R)-enantiomer of edelfosine. | 1-octadecyl-2-methylglycero-3-phosphocholine | |
dutasteride | dutasteride : An aza-steroid that is inasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland. Dutasteride: A 5-ALPHA-REDUCTASE INHIBITOR that is reported to inhibit both type-1 and type2 isoforms of the enzyme and is used to treat BENIGN PROSTATIC HYPERPLASIA. | (trifluoromethyl)benzenes; aza-steroid; delta-lactam | antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
rs 25259-197 | palonosetron hydrochloride : A hydrochloride obtained by combining palonosetron with one molar equivalent of hydrogen chloride; an antiemetic used in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. | hydrochloride | antiemetic; serotonergic antagonist |
ganaxolone | ganaxolone: a selective, high-affinity, steroid modulator of the GABA(A) receptor; structure given in first source; RN given refers to (3alpha,5alpha)-isomer | corticosteroid hormone | |
vilazodone | vilazodone : A 1-benzofuran that is 5-(piperazin-1-yl}-1-benzofuran-2-carboxamide having a (5-cyanoindol-3-yl)butyl group attached at position N-4 on the piperazine ring. Used for the treatment of major depressive disorder. | 1-benzofurans; indoles; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; nitrile | antidepressant; serotonergic agonist; serotonin uptake inhibitor |
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | oligopeptide | ||
cvt 313 | CVT 313: a potent inhibitor of CDK2 that prevents neointimal proliferation; structure given in first source | ||
tekturna | fumarate salt | antihypertensive agent | |
nps2143 | |||
pd 184352 | 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source | aminobenzoic acid | |
altenusin | altenusin : A carboxybiphenyl that is [biphenyl]-2-carboxylic acid which is substituted by a hydroxy group at positions 3, 4' and 5', methoxy group at position 5 and a methyl group at position 2'. It is a a metabolite isolated from Alternaria and several other fungal species. altenusin: structure given in first source | aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol | antifungal agent; fungal metabolite |
lu 208075 | ambrisentan: an ET(A) receptor antagonist and antihypertensive agent; studied for use in pulmonary arterial hypertension | diarylmethane | |
lonaprisan | lonaprisan: structure in first source | ||
belinostat | hydroxamic acid; olefinic compound; sulfonamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor | |
sk-7041 | SK-7041: an antineoplastic agent; structure in first source | ||
panobinostat | panobinostat : A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma. Panobinostat: An indole and hydroxamic acid derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used as an antineoplastic agent in combination with BORTEZOMIB and DEXAMETHASONE for the treatment of MULTIPLE MYELOMA. | cinnamamides; hydroxamic acid; methylindole; secondary amino compound | angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
hdac-42 | HDAC-42: structure in first source | amidobenzoic acid | |
4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide | benzamides | ||
alpha-glutamyltryptophan | Trp-Glu : A dipeptide formed from L-tryptophan and L-glutamic acid residues. | dipeptide | metabolite |
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 | ||
sun | |||
N-[(2-chlorophenyl)methyl]-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamide | triazolopyrimidines | ||
n1-(2-aminophenyl)-n7-phenylheptanediamide | |||
bml 210 | N1-(2-aminophenyl)-N8-phenyloctanediamide: InChIKey: RFLHBLWLFUFFDZ-UHFFFAOYSA-N | dicarboxylic acid diamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
sl 327 | SL 327: a MEK inhibitor SL-327 : A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2. | ||
tws 119 | pyrroles | ||
N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-3-pyrazolecarboxamide | aromatic amide | ||
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 |
sgd 301-76 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | antiinfective agent | |
nihydrazone | nihydrazone: structure | ||
Fezatione | toluenes | ||
aldicarb sulfoxide | aldicarb sulfoxide: metabolite of aldicarb | ||
phoxim | phoxim: structure | ||
nifursol | |||
robenidine | |||
azimilide | azimilide: structure given in first source; RN given refers to dihydrochloride | imidazolidine-2,4-dione | |
fenpyroximate | fenpyroximate: structure in first source | pyrazole acaricide; tert-butyl ester | mitochondrial NADH:ubiquinone reductase inhibitor |
asoprisnil | asoprisnil: structure in first source | ||
selamectin | milbemycin | ||
6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime | 6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime: a constitutive androstane receptor agonist; structure in first source | ||
dov 216303 | |||
gw 7604 | GW 7604: structure in first source | ||
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide | |||
pri-2205 | |||
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 |
givinostat | carbamate ester | ||
zk 216348 | ZK 216348: ZK-209614 is the racemic mixture, ZK-216348 is the (+)-isomer, and ZK-216347 is the (-)-isomer; a selective glucocorticoid receptor agonist; structure in first source | ||
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 |
ym 60828 | YM 60828: YM-466 is the mesylate salt | ||
ave 0118 | |||
bms345541 | 4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first source | quinoxaline derivative | |
6-methylsulfinylhexyl isothiocyanate | 6-(Methylsulfinyl)hexyl isothiocyanate: showed a dose-dependent inhibition of LPS-induced nitric oxide (NO), iNOS mRNA and protein. | sulfoxide | |
pd 144418 | |||
acanthoic acid | acanthoic acid: from root bark of Acanthopanax koreanum; structure given in first source | ||
estradiol-3,17-diacetate | steroid ester | ||
benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)- | |||
spc-839 | SPC-839: an inhibitor of activator protein 1; structure in first source | ||
(2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine | (2S,3S)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine: structure given in first source | ||
abiraterone acetate | abiraterone acetate : A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo into abiraterone. Used for treatment of metastatic castrate-resistant prostate cancer. Abiraterone Acetate: An androstene derivative that inhibits STEROID 17-ALPHA-HYDROXYLASE and is used as an ANTINEOPLASTIC AGENT in the treatment of metastatic castration-resistant PROSTATE CANCER. | pyridines; sterol ester | antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug |
andarine | acetamides; anilide | ||
17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'-guanidinyl-3,14-dihydroxyindolo(2',3'-6,7)morphinan | |||
gw 803430 | |||
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 | ||
dectomax | |||
azd9272 | AZD9272: an mGluR5 antagonist | ||
trestolone | trestolone: structure given in first source; RN given refers to (7alpha,17beta)-isomer | ||
lg 121071 | |||
lg 1506 | |||
fursultiamin monohydrochloride | organic molecular entity | ||
proflavine hemisulfate | |||
sr 147778 | surinabant: structure in first source | pyrazoles; ring assembly | |
l-454,560 | L-454,560: Phosphodiesterase Inhibitor; structure in first source | ||
cyazofamid | cyazofamid : A member of the class of imidazoles carrying dimethylsulfamyl, cyano, chloro and 4-tolyl substituents at positions 1, 2, 4 and 5 respectively. A fungicide used mainly for controlling Oomycete and Plasmodiophora diseases on potatoes and tomatoes. It is a skin and eye irritant and is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. cyazofamid: a fungicide; structure in first source | imidazole fungicide; imidazoles; nitrile; organochlorine compound; sulfamides; sulfonamide fungicide | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
gc 1 compound | GC 1 compound: structure in first source | diarylmethane | |
nrx 194204 | IRX4204: retinoid X receptor (RXR) agonist; structure in first source | ||
agn 194204 | AGN 194204: a retinoid X receptor ligand; structure in first source | ||
kb 141 | KB 141: an anticholesteremic agent; structure in first source | ||
fr 148083 | 5Z-7-oxozeaenol : A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB. | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
LL-Z1640-1 | macrolide; resorcinols | metabolite | |
gft505 | |||
mocetinostat | mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). mocetinostat: undergoing phase II clinical trials for treatment of cancer | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
cp 105696 | CP 105696: a leukotriene B4 receptor antagonist; structure in first source | ||
k201 compound | K201 compound: structure given in first source | ||
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 | ||
kb 130015 | KB 130015: structure in first source | ||
ssr 69071 | SSR 69071: structure in first source | pyridopyrimidine | |
cgs 23425 | CGS 23425: structure given in first source | ||
bms453 | BMS 189453: structure in first source BMS-453 : A member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It is a potent retinoic acid receptor gamma (RARbeta) agonist that acts as an antagonist against RARalpha and RARgamma. | benzoic acids; dihydronaphthalenes; stilbenoid | retinoic acid receptor alpha antagonist; retinoic acid receptor beta agonist; retinoic acid receptor gamma antagonist; teratogenic agent |
bms-564929 | |||
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 |
disodium fluorescein | |||
l 365260 | |||
hmr 1556 | HMR 1556: an I(Ks) channel blocker; structure in first source | ||
10,10-bis((2-fluoro-4-pyridinyl)methyl)-9(10h)-anthracenone | DMP 543: neurotransmitter release enhancer; structure given in first source | anthracenes | |
naveglitazar | naveglitazar: LY-519818 is the (alpha-S)-isomer; an antidiabetic agent; structure in first source | aromatic ether | |
hx 630 | HX 630: a retinoid X receptor ligand that functions as both an RAR synergist and peroxisome proliferator-activated receptor gamma synergist; structure in first source | ||
ly 465608 | LY 465608: a nonthiazolidinedione agonist of both PPAR-alpha and PPAR-gamma of Ligand Pharm. and Eli Lilly | ||
l 796449 | L 796449: a peroxisomal proliferator-activated receptor-gamma agonist; structure in first source | ||
uab 30 | |||
spiromesifen | spiromesifen : A butenolide that is but-2-en-4-olide bearing a 2,4,6-trimethylphenyl group at position 3, a 3,3-dimethylbutyryloxy group at position 4 and a spiro-fused cyclopentyl ring at position 5. spiromesifen: insecticide; structure in first source | butenolide | insecticide |
sr 271425 | SR 271425: structure in first source | ||
mcc-950 | |||
sp 100030 | N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide: transcription factor inhibitor specific to T-cells | ||
hmr 1275 | alvocidib hydrochloride : A hydrochloride salt resulting from the formal reaction of equimolar amounts of alvocidib and hydrogen chloride. A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. | hydrochloride | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent 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 |
sorbitan monooleate | fatty acid ester | ||
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 | |||
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide | N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide: a vanilloid receptor 1 antagonist and analgesic; structure in first source | piperazines; pyridines | |
3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid | 3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid: a thyroid receptor beta1 agonist; structure in first source | ||
cediranib | aromatic ether | ||
l 706000 | L 706000: a spirobenzopyran piperidine; structure given in first source | ||
gw0742 | GW 610742: structure in first source | monocarboxylic acid | |
3-chloro-4-(3-(7-propyl-3-trifluoromethyl-6-benzisoxazolyl)propylthio)phenylacetic acid | |||
sb 743921 | |||
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
mepartricin | |||
ns-220 | |||
pitolisant | pitolisant: functions as both inverse agonist and antagonist of histamine H3 receptors; structure in first source | organochlorine compound | |
dimethoxycurcumin | dimethoxycurcumin: has antineoplsatic activity; structure in first source | ||
bm 131246 | |||
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 | ||
NNC 55-0396 (free base) | benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker | |
medigoxin | spirotetramat : An azaspiro compound that is methoxycyclohexane which is fused at position 4 to the 5-position of a 1,5-dihydro-2H-pyrrol-2-one that is substituted at positions 3 and 4 by 2,5-dimethylphenyl and (ethoxycarbonyl)oxy groups, respectively (the cis isomer). It is a proinsecticide (via hydrolysis of the ethyl carbonate group to give the corresponding 4-hydroxypyrrol-2-one, "spirotetramat-enol") and is used for the control of a wide range of sucking insects on fruit and potato crops. spirotetramat: for the control of a broad spectrum of sucking insects; structure in first source | ||
tirotundin | tirotundin: structure in first source | ||
sr 11302 | SR 11302: structure given in first source SR11302 : A retinoid that is all-trans-retinoic acid in which the methyl group at position 9 is replaced by a 4-methylphenyl group. It is an inhibitor of activator protein-1 which exhibits antitumour effects in vivo. | alpha,beta-unsaturated monocarboxylic acid; retinoid; toluenes | antineoplastic agent; AP-1 antagonist |
cumambrin b | cumambrin B: RN given for (3aR-(3aalpha,4alpha,6alpha,6aalpha,9aalpha,9bbeta))-isomer; isolated from Chrysanthemum boreale; structure in first source | ||
incb3344 | INCB3344: potent and selective small molecule CCR2 chemokine receptor antagonist | ||
nutlin 1 | nutlin 1: an MDM2 antagonist; structure in first source | ||
chamissonolide | chamissonolide: structure given in first source | ||
way-362450 | indoles | ||
leucettamine b | leucettamine B: a protein kinase inhibitor isolated from the marine sponge Leucetta microraphis; structure in first source | ||
altrenogest | altrenogest: a synthetic PROGESTERONE agonist; used in estrus synchronization | 3-hydroxy steroid | |
cp 945598 | |||
riccardin c | riccardin C: isolated from liverworts; functions as a liver X receptor (LXR)alpha agonist and an LXRbeta antagonist; structure in first source | ||
pimavanserin | pimavanserin : A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease. pimavanserin: A 5-HT(2A) inverse agonist; ACP-103 is the dihydroxybutanedioate (2:1) salt. It is used to treat hallucinations and delusions associated with PARKINSON DISEASE; structure in first source. | aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas | 5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist |
masitinib | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor | |
methyl 3,5-di-o-caffeoyl quinate | 3,5-dicaffeoylquinic acid methyl ester: results suggest that the effect of 3,5-dicaffeoylquinic esters on CHS is associated with a decrease in the production of interleukins, but not with the inhibition of iNOS expression. Moreover, esterification of the carboxyl group at C-1 enhanced protection against tyrosine nitration in the skin methyl 3,5-di-O-caffeoyl quinate : A methyl ester resulting from the formal condensation of the carboxy group of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity. | ||
linagliptin | linagliptin : A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes. Linagliptin: A purine and quinazoline derivative that functions as an INCRETIN and DIPEPTIDYL-PEPTIDASE IV INHIBTOR. It is used as a HYPOGLYCEMIC AGENT in the treatment of TYPE II DIABETES MELLITUS. | aminopiperidine; quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
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 |
levodopa methyl ester hydrochloride | |||
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 | |
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 | ||
teferin | teferin: isolated from Ferula hermonis; structure in first source | ||
aleglitazar | aleglitazar: a dual peroxisome PPAR-alpha and PPAR-gamma agonist for type 2 diabetes | ||
betrixaban | betrixaban : A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade. betrixaban: a highly potent, selective, and orally efficacious factor Xa inhibitor; structure in first source | benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
pik 75 | PIK 75: structure in first source | ||
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 |
kb 2115 | 3-((3,5-dibromo-4-(4-hydroxy-3-(1-methylethyl)phenoxy)phenyl)amino)-3-oxopropanoic acid: a thyroid hormone receptor agonist with anticholesteremic activity | ||
r 306465 | |||
lu 19005 | |||
gsk 369796 | N-tert-butylisoquine: an antimalarial; structure in first source | ||
2-acetylfuranonaphthoquinone | 2-acetylfuranonaphthoquinone: has antineoplastic activity; structure in first source | ||
bavachinin | bavachinin: do not confuse with bavachin | flavanones | |
Cycloartobiloxanthone | cycloartobiloxanthone: a flavonoid isolated from stem bark of Artocarpus gomezianus; has antineoplastic properties | pyranoxanthones | |
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer | |||
fenamidone | fenamidone : A member of the class of imidazolones that is 3,5-dihydroimidazol-4-one substituted at position 2 by a methylthiogroup, at position 3 by an anilino group and at position 5 by phenyl and methyl groups (the S-enantiomer). A fungicide effective against Oomycete diseases such as downy mildew and certain leaf spot diseases. fenamidone: a fungicide against downy mildew; structure in first source | carbohydrazide; imidazole fungicide; imidazolone; organic sulfide | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor |
chetomin | |||
meridianin a | meridianin A: structure in first source | ||
tg100-115 | 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first source | pteridines | |
uncarine c | uncarine C: stereoisomeric pentacyclic oxindole alkaloid from Uncaria tomentosa; structure in first source | indolizines | |
msdc-0160 | MSDC-0160: an mTOT (mitochondrial target of thiazolidinediones) modulator for insulin sensitization; structure in first source | aromatic ether | |
cj 033466 | CJ 033466: structure in first source | ||
bms 599626 | |||
(5R)-9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol | benzazepine | ||
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 | |
PB28 | PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities. | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
flurogestone acetate | Flurogestone Acetate: A synthetic fluorinated steroid that is used as a progestational hormone. | corticosteroid hormone | |
1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine | 1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine: a 5-HT2A receptor antagonist; structure in first source | ||
5,15-diphenylporphine | 5,15-diphenylporphine: structure in first source | ||
ucn 1028 c | calphostin C: structure given in first source; isolated from Cladosporium cladosporioides | ||
fluoxastrobin | fluoxastrobin : An oxime O-ether that is the O-methyl oxime of (2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone. A fungicide used for disease control of potatoes and a wide range of vegetables. fluoxastrobin: a fungicide | aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
2-(4-methoxyphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
acesulfame potassium | sulfuric acid derivative | ||
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 | ||
3beta-hydroxy-17-(1h-benzimidazole-1-yl)androsta-5,16-diene | 3-hydroxy-17-(1H-benzimidazole-1-yl)androsta-5,16-diene: has antineoplastic activity; structure in first source | 3-hydroxy steroid | androgen |
flubendiamide | flubendiamide: activates ryanodine-sensitive calcium release channels in insects; structure in first source | organofluorine insecticide | ryanodine receptor modulator |
wp1066 | |||
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 | ||
ptc 124 | oxadiazole; ring assembly | ||
n-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide | N-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide: MK-0364 is the (1S,2S)-isomer; a cannabinoid-1 receptor inverse agonist; structure in first source | stilbenoid | |
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 | ||
zm 252868 | PD-153035 hydrochloride : A hydrochloride obtained by combining PD-153035 with one equivalent of hydrochloric acid. | hydrochloride | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
procyanidin b1 | procyanidin B1 : A proanthocyanidin consisting of (-)-epicatechin and (+)-catechin units joined by a bond between positions 4 and 8' respectively in a beta-configuration.. Procyanidin B1 can be found in Cinnamomum verum (Ceylon cinnamon, in the rind, bark or cortex), in Uncaria guianensis (cat's claw, in the root), and in Vitis vinifera (common grape vine, in the leaf) or in peach. | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite |
amd 070 | mavorixafor: a derivative of AMD3100; a CXCR4 blocker | aminoquinoline | |
fg-4592 | roxadustat : An N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylic acid. It is an inhibitor of hypoxia inducible factor prolyl hydroxylase (HIF-PH). roxadustat: structure in first source | aromatic ether; isoquinolines; N-acylglycine | EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor |
rgb 286638 | |||
picoxystrobin | picoxystrobin : An enoate ester that is the methyl ester of (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoic acid. A cereal fungicide used to control a wide range of diseases including brown rust, tan spot, powdery mildew and net blotch. picoxystrobin: a fungicide | aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide | N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide : A hydroxamic acid that is N-hydroxy-D-valinamide in which the alpha-amino group has been substituted by isopropoxy and [biphenyl]-4-ylsulfonyl groups. A selective matrix metalloproteinase-2 (MMP-2) inhibitor, it is one of the most potent inducers of autophagy. Its physiological roles include angiogenesis, cancer metastasis, embryogenesis, tissue remodeling in development, and wound healing. | D-valine derivative; hydroxamic acid | antineoplastic agent; autophagy inducer; EC 3.4.24.24 (gelatinase A) inhibitor; melanin synthesis inhibitor |
pirarubicin | anthracycline | ||
topramezone | topramezone : An aromatic ketone that is phenyl 1H-pyrazol-4-yl ketone in which the pyrazolyl group is substituted at positions 1 and 5 by methyl and hydroxy groups, respectively, and in which the phenyl group is substituted at positions 2, 3, and 4 by methyl, 4,5-dihydro-1,2-oxazol-3-yl, and methylsulfonyl groups, respectively. A potent inhibitor of 4-hydroxyphenylpyruvate dioxygenase (HPPD) that is rapily metabolised by corn to non-active substances, it is used as a herbicide for the treatment of broadleaf weeds. topramezone: corn herbicide, an inhibitor of 4-hydroxyphenylpyruvate dioxygenase; structure in first source | ||
bms-626529 | |||
mk 2866 | |||
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 |
bi 2536 | |||
trihexyltetradecylphosphonium chloride | trihexyltetradecylphosphonium chloride: structure in first source | ||
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 | |
nvp-ast487 | NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells | ||
adl 5859 | |||
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 | ||
nutlin-3a | nutlin 3: an MDM2 antagonist; structure in first source | stilbenoid | |
basimglurant | |||
alogliptin | alogliptin : A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes. alogliptin: structure in first source | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
rpr260243 | RPR260243: small molecule activator of the human ether-a-go-go-related gene (HERG) cardiac K+ channel; structure in first source | ||
nvp-aew541 | |||
lt175 | |||
abt 869 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
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 |
MI-63 | MI-63 : An azaspiro compound resulting from the formal fusion of position 3 of 6-chloro-oxindole with position 3 of (2R,3SS5S)-3-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[2-(morpholin-4-yl)ethyl]pyrrolidine-2-carboxamide. It is a potent inhibitor of the MDM2-p53 interaction. | azaspiro compound; monochlorobenzenes; monofluorobenzenes; morpholines; oxindoles; pyrrolidines; secondary carboxamide | apoptosis inducer |
gosogliptin | amino acid amide | ||
azd2932 | AZD2932: structure in first source | ||
quisinostat | indoles | ||
anacetrapib | |||
carfilzomib | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor | |
lgd 2226 | |||
e 2012 | |||
mk-0893 | |||
gw9508 | GW9508: structure in first source | aromatic amine | |
glabrol | glabrol: from Glycyrrhiza glabra hairy root; structure in first source | flavanones | |
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide | sulfonamide | ||
nsc-287088 | |||
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 | ||
nebivolol hydrochloride | (R,S,S,S)-nebivolol hydrochloride : A hydrochloride obtained by reaction of (R,S,S,S)-nebivolol with one equivalent of hydrochloric acid. nebivolol hydrochloride : A racemate consisting of equal amounts of (R,S,S,S)- and (S,R,R,R)-nebivolol hydrochloride. A cardioselective beta-blocker, it has vasodilatory activity but lacks intrinsic sympathomimetic and membrane-stabilising activity. It is used as the hydrochloride salt for the management of hypertension, and as an adjunct to standard therapy in elderly patients with stable chronic heart failure. | hydrochloride | |
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 |
cgp 57380 | CGP 57380: inhibits the mitogen-activated protein kinase-interacting kinase Mnk1 | pyrazolopyrimidine | |
ro 4956371 | 2-chloro-4-((2,5-dimethyl-1-(4-(trifluoromethoxy)phenyl)-1H-imidazol-4-yl)ethynyl)pyridine: a metabotropic glutamate receptor 5 antagonist; structure in first source | ||
chir-265 | aromatic ether | ||
lorcaserin | lorcaserin : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine substituted at position 1 by a methyl group and a t position 6 by a chloro group. lorcaserin: orally active, small-molecule 5-hydroxytryptamine 2C agonist for the potential treatment of obesity and diabetes | benzazepine; organochlorine compound | anti-obesity agent; appetite depressant |
trifloxystrobin | methoxyiminoacetate strobilurin antifungal agent; methyl ester; organofluorine compound; oxime O-ether | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor | |
motesanib | pyridinecarboxamide | ||
fostamatinib | fostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406 | ||
az-628 | AZ-628: a multikinase inhibitor; structure in first source | benzamides | |
jnj 28312141 | |||
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine | PF-670462 free base : A member of the class of imidazoles that is 1H-imidazole which is substituted at positions 1, 4, and 5 by cyclohexyl, p-fluorophenyl, and 2-aminopyrimidin-4-yl groups, respectively. It is a selective inhibitor of the delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon). | aminopyrimidine; imidazoles; monofluorobenzenes | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
mk-0249 | MK-0249: a histamine-3 receptor inverse agonist; structure in first source | ||
mln8054 | benzazepine | ||
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 | |
2-(2,6-diisopropylphenyl)-5-hydroxy-1h-isoindole-1,3-dione | 2-(2,6-diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione: structure in first source | ||
abexinostat | abexinostat: structure in first source | benzofurans | |
granite | granite: crystalline rock of quartz, orthoclase, muscovite & biotite | triazolopyrimidines | |
silvestrol | silvestrol : An organic heterotricyclic compound that consists of a 2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a, a methoxy group at C-8 and a 1,4-dioxan-2-yloxy group at position C-6 which in turn is substituted by a methoxy group at position 3 and a 1,2-dihydroxyethyl group at position 6. Isolated from Aglaia silvestris, it exhibits antineoplastic activity. silvestrol: isolated from the fruit and twig of Aglaia silvestris | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
lj 529 | |||
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 | ||
thiethylperazine malate | |||
ly2603618 | ureas | ||
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolamine | pyrazoles; ring assembly | ||
b 015 | |||
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 | |
(2R,3S)-EHNA hydrochloride | (2R,3S)-EHNA hydrochloride : A hydrochloride salt obtained by reaction of (2R,3S)-EHNA with one equivalent of hydrochloric acid. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase. | hydrochloride | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor |
4-methylpyrazole monohydrochloride | |||
octoclothepine maleate | |||
ku-0060648 | dibenzothiophenes | ||
sar 1118 | lifitegrast : An N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of N-[2-(1-benzofuran-6-carbonyl)]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid with the amino group of 3-(methanesulfonyl)-L-phenylalanine. Used for treatment of keratoconjunctivitis sicca (dry eye syndrome). lifitegrast: An LFA-1 (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN-1) antagonist that is used in the treatment of DRY EYE SYNDROMES. | 1-benzofurans; isoquinolines; L-phenylalanine derivative; N-acyl-L-alpha-amino acid; sulfone | anti-inflammatory drug; lymphocyte function-associated antigen-1 antagonist |
sch 529074 | SCH 529074: restores DNA-binding activity of mutant p53; structure in first source | ||
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 | ||
arhalofenate | arhalofenate: a PPAR-gamma modulator | ||
chidamide | benzamides | ||
chlorhexidine hydrochloride | |||
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid | 2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid : A pentacyclic triterpenoid that is betulinic acid carrying an additional alpha-hydroxy group at position 2. It has been isolated from Breynia fruticosa. alphitolic acid: from the aerial parts of Gouania longipetala; structure in first source | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
(R)-Bitalin A | acetophenones | ||
erythrosine | erythrosin B : An organic sodium salt that is the disodium salt of 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-8a,10a-dihydroxanthen-9-yl)benzoic acid. Erythrosine: A tetraiodofluorescein used as a red coloring in some foods (cherries, fish), as a disclosure of DENTAL PLAQUE, and as a stain of some cell types. It has structural similarity to THYROXINE. | ||
2-(3-chlorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | rohitukine : A member of the class of chromones that is 4H-chromen-4-one in which the hydrogens at positions 2,5,7 and 8 are replaced by methyl, hydroxy, hydroxy, and (3S,4R)-3-hydroxy-1-methylpiperidin-4-yl groups, respectively. It is an alkaloid initially isolated from Amoora rohituka and is a precursor of the anti-cancer compound flavopiridol. | alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound | anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite |
hc toxin | |||
ci 959 | CI 959: antiallergy compound; inhibits thromboxanes | ||
odoratin | odoratin: structure; RN given refers to cpd without isomeric designation | ||
decominol hydrochloride | |||
lg190155 | LG190155: structure in first source | ||
lg190178 | |||
lantadene b | lantadene B: RN given refers to the (22beta)-isomer; from Lantana camara | ||
parecoxib sodium | |||
mdv 3100 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent | |
mgl-3196 | resmetirom: a thyroid hormone receptor-beta agonist | ||
gsk 461364 | GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1 | (trifluoromethyl)benzenes | |
n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine | N-(3-fluorophenyl)-1-((4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine: a small molecule motilin receptor agonist; structure in first source | acetamides | |
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-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone | piperazines | ||
nvp-tae684 | piperidines | ||
a 803467 | A 803467: an Nav1.8 sodium channel blocker; structure in first source | ||
N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinamine | quinazolines | ||
amodiaquine hydrochloride | |||
clindamycin hydrochloride | S-glycosyl compound | ||
azumamide e | azumamide E: a natural cyclic tetrapeptide isolated from marine sponge Mycale izuensis; histone deacetylase inhibitor; structure in first source | ||
teicoplanin | teicoplanin A2-1 : A teicoplanin A2 that has (4Z)-dec-4-enoyl as the variable N-acyl group. | ||
tannins | gallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose). | tannin | |
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetamide | dimethoxybenzene | ||
1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(3-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea | quinolines | ||
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 | ||
[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 | |||
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside | O-acyl carbohydrate | ||
(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine | benzenes | ||
(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine | (trifluoromethyl)benzenes | ||
phenylmercuric acetate | Phenylmercuric Acetate: A phenyl mercury compound used mainly as a fungicide. Has also been used as a herbicide, slimicide, and bacteriocide. | arylmercury compound; benzenes | |
dibutyltin dilaurate | dibutyltin dilaurate: used in prevention of parasitic dieases in cattle and sheep | ||
dibutyltin diacetate | |||
bis(tri-n-butyltin)oxide | bis(tri-n-butyltin)oxide: RN given refers to parent cpd; RN in Chemline for tributylin: 688-73-3 | inorganic molecular entity | |
phentin acetate | fentin acetate : An organotin compound that is the O-acetyl derivative of triphenyltin hydroxide. A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans. phentin acetate: see also triphenyltin hydroxide.; structure | acetate ester; organotin compound | antifungal agrochemical |
tri-n-butylstannylmethacrylate | |||
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 | ||
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 |
tg101209 | N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | |
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 | |
way 252623 | 2-(2-chloro-4-fluorobenzyl)-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole: a partial LXR agonist | ||
cnf 2024 | 2-aminopurines; aromatic ether; organochlorine compound; pyridines | antineoplastic agent; Hsp90 inhibitor | |
ku 0063794 | Ku 0063794: an mTOR inhibitor; structure in first source | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor |
2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester | aromatic amide; tert-butyl ester | ||
azd5438 | sulfonamide | ||
mk 0571 | |||
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-methoxy-isatin | benzodioxine | anticoronaviral agent | |
gsk 1004723 | GSK 1004723: structure in first source | ||
kd 5170 | KD 5170: a histone deacetylase inhibitor; structure in first source | ||
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 | |
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one | aromatic ketone | ||
achalensolide | achalensolide: structure in first source | ||
lu aa33810 | |||
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 | ||
ganoderic acid f | ganoderic acid F: isolated from Ganoderma lucidum; structure in first source | triterpenoid | |
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one | acetamides | ||
yil 781 | YIL 781: an appetite suppressant and weight loss promoter; structure in first source | ||
a 867744 | 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide: positive modulator of alpha7 nicotinic acetylcholine receptor; structure in first source | ||
p276-00 | P276-00: antineoplastic, cyclin-dependent kinase inhibitor; structure in first source | ||
azd3988 | AZD3988: for treatment of obesity and diabetes; structure in first source | ||
tegobuvir | tegobuvir: a non-structural protein 5B polymerase inhibitor | ||
tazobactam sodium | tazobactam sodium : An organic sodium salt having tazobactam(1-) as the counterion; used in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections. | organic sodium salt | antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
cilastatin sodium | cilastatin sodium : The monosodium salt of cilastatin. It is an inhibitor of dehydropeptidase I (membrane dipeptidase, 3.4.13.19), an enzyme found in the brush border of renal tubes and responsible for degrading the antibiotic imipenem. Cilastatin sodium is therefore administered with imipenem to prolong the antibacterial effect of the latter by preventing its renal metabolism to microbiologically inactive and potentially nephrotoxic products. | organic sodium salt | EC 3.4.13.19 (membrane dipeptidase) inhibitor; protease inhibitor |
sri 62320 | (3R,5S)-fluvastatin sodium : An organic sodium salt resulting from the replacement of the proton from the carboxy group of (3R,5S)-fluvastatin by a sodium ion. SRI 62320: structure given in first source | organic sodium salt; statin (synthetic) | |
cerivastatin sodium | cerivastatin sodium : The sodium salt of cerivastatin. Formerly used to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity. | organic sodium salt; statin (synthetic) | |
montelukast sodium | organic sodium salt | ||
sodium tetradecyl sulfate | |||
cytomel | liothyronine sodium : The sodium salt of liothyronine. Thought to be more active than levothyroxine and with a rapid (few hours) onset and short duration of action, liothyronine sodium is used in the treatment of hypothyroidism, particularly in cases of hypothyroid coma. | organic sodium salt | |
monensin | |||
cefoxitin sodium | organic molecular entity | ||
sodium cholate | cholate salt; organic sodium salt | ||
deoxycholic acid, monosodium salt | bile acid salt | ||
dexon (fungicide), sodium salt | organic molecular entity | ||
docusate sodium | organic sodium salt | ||
pd 180988 | PD 180988: endothelin-A-receptor antagonist | ||
potassium perfluorobutanesulfonate | |||
potassium phenethicillin | organic potassium salt | ||
acid blue 129 | |||
dicloxacillin sodium | hydrate | ||
methicillin sodium | hydrate | ||
cortisol succinate, sodium salt | hydrocortisone hemisuccinate: RN given refers to (11beta)-isomer; Synonyms Solu-Cortef & sopolcort H refer to Na salt | organic molecular entity | |
sodium 2,6-dichloroindophenol | organic molecular entity | ||
salinomycin | |||
meriolin 3 | meriolin 3: a cell death-inducing kinase inhibitor; structure in first source | ||
srt1720 | |||
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 |
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide | benzamides | ||
amorfrutin b | amorfrutin B: structure in first source | ||
pf-3893787 | PF-3893787: structure in first source | ||
pci 34051 | PCI 34051: an HDAC8 inhibitor | indolecarboxamide | |
cudc 101 | 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source | ||
largazole | largazole: an antiproliferative agent from Symploca; structure in first source | ||
cholenic acid dimethylamide | cholenic acid dimethylamide: binds LXRalpha receptor; structure in first source | ||
gdc 0449 | HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activity | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent |
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 |
valbenazine | valbenazine: inhibits vesicular monoamine transporter 2 (VMAT2); used to treat tardive dyskinesia; structure in first source | ||
sgi 1776 | SGI 1776: a Pim kinase inhibitor; structure in first source | imidazoles | |
5-methoxy-n,n-diisopropyltryptamine monohydrochloride | |||
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 | |
4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid | carboxylic acid; piperidines | ||
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 |
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 |
apalutamide | |||
quizartinib | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor | |
2-(1-(2-allylphenoxy)ethyl)-4,5-dihydro-1h-imidazole | 2-(1-(2-allylphenoxy)ethyl)-4,5-dihydro-1H-imidazole: an alpha2C agonist and alpha2A antagonist; structure in first source | ||
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | CAY10603: a HDAC6 inhibitor | carbamate ester | |
mk 2206 | MK 2206: a protein kinase inhibitor and antineoplastic agent | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
ro3280 | RO3280: inhibits polo-like kinase 1; structure in first source | ||
bi d1870 | |||
cep 26401 | pyridazines; ring assembly | ||
pf 3246799 | |||
pf 998425 | |||
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 | |||
trichostatin rk | trichostatin RK: from Streptomyces sp. RK98-A74.; structure in first source | ||
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide | benzamides | ||
bs 194 | |||
incb-018424 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | |
cct 137690 | |||
bms-790052 | daclatasvir : A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C. daclatasvir: an HCV NS5A inhibitor | biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative | antiviral drug; nonstructural protein 5A inhibitor |
(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 |
gsk 1838705a | organonitrogen compound; organooxygen compound | ||
lgd 3303 | 9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-3H-pyrrolo(3,2-f)quinolin-7(6H)-one: an androgen receptor modulator; 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 | |
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 |
pf 8380 | |||
plx4032 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor | |
azd7687 | AZD7687: structure in first source | ||
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 | ||
GDC-0623 | hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor | |
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 | ||
4-[3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide | sulfonamide | ||
ddd 85646 | DDD 85646: a trypanocidal agent for treating African sleeping sickness; structure in first source | ||
sar 020106 | SAR 020106: a CHK1 inhibitor; structure in first source | ||
e-52862 | |||
centratherin | centratherin: from Eremanthus eriopus (Asteraceae); structure in first source | ||
cort 108297 | CORT 108297: a fused-ring azadecalin | ||
p505-15 | |||
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 | ||
bi 653048 bs h3po4 | BI 653048 BS H3PO4: structure in first source | ||
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 |
2-((r-5-chloro-4-methoxymethylindan-1-yl)-1h-imidazole) | |||
pf-04455242 | 2-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine: has antidepressant activity; structure in first source | ||
2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine | triazoles | ||
thiopental sodium | organochlorine compound; piperazines; pyrimidines | antineoplastic agent; tyrosine kinase inhibitor | |
glucopiericidin a | glucopiericidin A: from Streptomyces pactum S48727 as co-metabolite of piericidin A(1); structure given in first source; glycoside antibiotic | ||
3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole | 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1H-pyrazole: an oligomer modulator | ||
n6022 | N6022: inhibits S-nitrosoglutathione reductase; structure in first source | ||
ribociclib | ribociclib: inhibits both CDK4 and CDK6 | ||
yk 4-279 | YK 4-279: an antineoplastic agent that inhibits EWS-FLI1 oncoprotein; structure in first source | aromatic ketone | |
1-(3-aminopropyl)-3-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]thiourea | aminopyridine | ||
1-[4-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]butyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea | aminopyridine | ||
pb 12 | |||
mk-7246 | |||
bay 1000394 | roniciclib: an antineoplastic agent that inhibits cyclin-dependent kinases; structure in first source | ||
pha 793887 | piperidinecarboxamide | ||
azd3839 | AZD3839: a BACE1 inhibitor; structure in first source | ||
abt-348 | ilorasertib: an antineoplastic agent and protein kinase inhibitor; structure in first source | ||
mk-3102 | pyrrolopyrazole | ||
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 |
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 | |
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine | indoles | ||
gsk299423 | GSK299423: structure in first source | ||
xmd 8-92 | XMD8-92 : A dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a [2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino substituent. It is an inhibitor of the BMK1 kinase pathway. | pyrimidobenzodiazepine | protein kinase inhibitor |
lrrk2-in1 | LRRK2-IN1: inhibits leucine-rich repeat kinase 2; structure in first source | aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
gsk143 | GSK143: a Syk kinase inhibitor; structure in first source | ||
pf-03882845 | |||
azd3514 | AZD3514: in Phase I clinical trial in patients with castrate-resistant prostate cancer (2/2013); structure in first source | ||
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 | |
rn486 | RN486: a selective Bruton's tyrosine kinase inhibitor | ||
dinaciclib | pyrazolopyrimidine | ||
(5-bromo-3-pyridinyl)-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
gsk525762a | molibresib: mimicks acetylated histones; structure in first source | benzodiazepine | |
nms p937 | NMS P937: a polo-like kinase 1 inhibitor; structure in first source | ||
AZD1979 | AZD1979 : A carboxamide resulting from the formal condensation of the carboxy group of 5-(p-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylic acid with the amino group of 3-phenoxyazetidine and in which the phenoxy group has been substituted at the para- position by a 2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl group. It is a melanin concentrating hormone receptor 1 (MCHr1) antagonist. AZD1979: an antagonist of melanin concentrating hormone receptor 1; structure in first source | aromatic ether; azaspiro compound; carboxamide; N-acylazetidine; oxadiazole; oxaspiro compound; oxetanes | melanin-concentrating hormone receptor antagonist |
alectinib | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
glpg0634 | |||
tubastatin a | hydroxamic acid; pyridoindole; tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor | |
pracinostat | pracinostat : A hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deacetylase inhibitor with demonstrated activity in the treatment of advanced solid tumours. | benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound | antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
kaf156 | ganaplacide: antimalarial | ||
physalin f | physalin F : A physalin with antimalarial and antitumour activities isolated from Physalis angulata. physalin F: has immunosuppressive activity; from Physalis angulata L; structure given in first source | enone; epoxy steroid; lactone; physalin | antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent |
bs-181 | BS-181: a CDK7 inhibitor with antineoplastic activity | pyrazolopyrimidine | |
mk 5046 | |||
LSM-6732 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound; tert-butyl ester | ||
gsk4112 | GSK4112: a Rev-erbalpha agonist; structure in first source | ||
sphaeropsidin a | sphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first source | gamma-lactone | metabolite |
gsk1210151a | GSK1210151A: inhibitor of the BET family of proteins; structure in first source | imidazoquinoline | |
i-bet726 | |||
sr1664 | indolecarboxamide | ||
nvp-cgm097 | NVP-CGM097: an MDM2 and HDM2 inhibitor; structure in first source | ||
n-dodecyl-l-lysine amide | |||
acy-1215 | ricolinostat: an HDAC6 inhibitor; structure in first source | pyrimidinecarboxylic acid | |
(r)-n-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide | (R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide: structure in first source | ||
rg7388 | RG7388: structure in first source | ||
bp-1-102 | BP-1-102: a STAT3 inhibitor; structure in first source | ||
sr 8278 | SR 8278: structure in first source | ||
ml298 | |||
lesinurad | lesinurad : A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout. lesinurad: a uric acid reabsorption inhibitor | aryl sulfide; cyclopropanes; monocarboxylic acid; naphthalenes; organobromine compound; triazoles | uricosuric drug |
cudc-907 | |||
raltegravir | 1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide | antiviral drug; HIV-1 integrase inhibitor | |
tetracycline | tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis. | ||
dicumarol | Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases. | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
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 | |
warfarin | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice. Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide. | benzenes; hydroxycoumarin; methyl ketone | |
4,7-Dihydroxy-2H-1-benzopyran-2-one | hydroxycoumarin | ||
bromadiolone | diarylheptanoid | ||
6-o-palmitoylascorbic acid | fatty acid ester | ||
oxytetracycline | |||
pyrvinium pamoate | naphthoic acid | anticoronaviral agent | |
oxytetracycline hydrochloride | |||
tipranavir | tipranavir : A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor. tipranavir: inhibits HIV-1 protease | sulfonamide | antiviral drug; HIV protease inhibitor |
chlortetracycline hydrochloride | Alexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil | ||
tasquinimod | tasquinimod: a lead second generation quinoline-3-carboxamide anti-angiogenic agent for the treatment of prostate cancer; structure in first source | ||
minocycline hydrochloride | |||
N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarboxamide | aromatic amide; quinolines | ||
chrome azurol s | chrome azurol S: reagent for beryllium determination spectrophotometrically | ||
a 1062 | A 1062: inhibits resolvase binding to the res site; structure given in first source | ||
tetracycline hydrochloride | Actisite: tradename; fiber for periodontal use | ||
urmc-099 | URMC-099: inhibits mixed lineage kinase 3 | ||
4-[4-(5,5-dimethyl-4H-thiazol-2-yl)-1-piperazinyl]-6-propylthieno[2,3-d]pyrimidine | N-arylpiperazine; thienopyrimidine | ||
ew-7197 | vactosertib: a TGF-beta type I receptor kinase inhibitor with antifibrotic and antineoplastic activities; structure in first source | ||
on123300 | ON123300: a protein kinase inhibitor; structure in first source | ||
byl719 | proline derivative | ||
rg2833 | RG2833: a histone deacetylase inhibitor; structure in first source | ||
(1S,2R)-2-[[(1S)-1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-1-cyclohexanecarboxylic acid | LH601A: inhibits the interaction between KEAP1 and NRF2; structure in first source | phthalimides | |
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid | organonitrogen heterocyclic compound | ||
mi-192 | MI-192: histone deacetylase 2 and 3 inhibitor; structure in first source | ||
cep-28122 | CEP-28122: inhibits anaplastic lymphoma kinase; structure in first source | ||
pbtz169 | macozinone: an antitubercular agent; structure in first source | ||
rociletinib | rociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source | ||
entecavir | benzamides; N-acylpiperidine | ||
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 |
pelabresib | CPI-0610: a bromodomain and extra-terminal protein inhibitor with antineoplastic activity; structure in first source | monochlorobenzenes; organic heterotricyclic compound; primary carboxamide | antineoplastic agent; bromodomain-containing protein 4 inhibitor |
sr9009 | |||
sr9011 | SR9011: a REV-ERB agonist; structure in first source | ||
ganoderic acid c2 | ganoderic acid C2: from the fruiting body of Ganoderma; structure in first source | triterpenoid | |
gs-458967 | 6-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)(1,2,4)triazolo(4,3-a)pyridine: an anti-arrhythmia agent that inhibits late sodium current; 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 | |||
doravirine | |||
amg 232 | |||
MS-417 | MS-417 : A member of the class of thienotriazolodiazepines that is the methyl ester of [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. A bromodomain and extra-terminal domain (BET)-specific inhibitor that belongs to a group of thienodiazepine-based compounds | methyl ester; monochlorobenzenes; thienotriazolodiazepine | |
vx-970 | berzosertib: an ATR kinase inhibitor | sulfonamide | |
bay 94-8862 | finerenone: a potent, selective, and orally available nonsteroidal mineralocorticoid receptor antagonist; structure in first source | ||
trv130 | |||
debio 1347 | CH5183284: a fibroblast growth factor receptor antagonist; structure in first source | ||
pf-543 | PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first source | sulfonamide | |
sf 1126 | SF 1126: an LY294002 prodrug and pan PI3K inhibitor; structure in first source | ||
n2-(1h-indazole-5-yl)-n6-methyl-3-nitropyridine-2,6-diamine | KRIBB11 : A member of the class of indazoles that is 1H-indazole substituted by a [6-(methylamino)-3-nitropyridin-2-yl]amino group at position 5. It is an inhibitor of heat shock factor 1 (IC50 = 1.2muM) and suppresses tumour growth in mouse xenograft models. N2-(1H-indazole-5-yl)-N6-methyl-3-nitropyridine-2,6-diamine: a heat shock factor 1 antagonist; structure in first source | ||
ajmaline | |||
acp-196 | acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy. acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity | aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
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 | |
cpi203 | CPI203: a BET protein bromodomain inhibitor | ||
1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1h-benzotriazole-5-carboxylic acid | 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid: a partial RXR agonist; structure in first source | ||
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide | 4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide: inhibits HDAC6; structure in first source | ||
sr9238 | SR9238: liver-selective LXR inverse agonist that suppresses hepatic steatosis; structure in first source | ||
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 |
ddd107498 | DDD107498: has antimalarial activity; structure in first source | ||
santacruzamate a | santacruzamate A: HDAC2 inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.; structure in first source | organonitrogen compound; organooxygen compound | |
[4-amino-2-[2-methoxy-4-(4-methyl-1-piperazinyl)anilino]-5-thiazolyl]-(2,6-dichlorophenyl)methanone | aromatic ketone | ||
onc201 | TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source | ||
nelfinavir | |||
azd3759 | |||
pf-06687252 | PF-06687252: a SMARCA2/4 bromodomain inhibitor; structure in first source PFI-3 : An azabicycloalkane that is (1R,4R)-2,5-diazabicyclo[2.2.1]heptane which is substituted at position 2 by a 3-(2-hydroxyphenyl)-3-oxoprop-1-en-1-yl group and at position 5 by a pyridin-2-yl group. It is a potent and selective inhibitor of polybromo 1 (Kd = 48 nM), SMARCA2 and SMARCA4 (Kd = 89 nM) bromodomains. | azabicycloalkane; enone; phenols; pyridines | |
ly2857785 | |||
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine | 6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source | ||
PF-06446846 | PF-06446846 : A triazolopyridine that is 3H-[1,2,3]triazolo[4,5-b]pyridine substituted by a 4-{(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl}phenyl group at position 3. It is a potent inhibitor of PCSK9. PF-06446846: inhibits translation of PCSK9 ;structure in first source | benzamides; monochloropyridine; piperidines; tertiary carboxamide; triazolopyridine | antilipemic drug; EC 3.4.21.61 (kexin) inhibitor |
clothianidin | (E)-clothianidin : A clothiadin that has E configuration at the C=N bond of the nitroguanidine moiety. | 1,3-thiazoles; 2-nitroguanidine derivative; clothianidin; organochlorine compound | environmental contaminant; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
azd9496 | AZD9496: an estrogen receptor antagonist; structure in first source | ||
3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile | 3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile: a metabotropic glutamate receptor 5 antagonist; structure in first source | ||
THZ531 | THZ531 : A member of the class of indoles that is 5-chloro-4-(1H-indol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine in which the piperidine NH group is substituted by a 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}benzoyl group. It is a first-in-class CDK12 and CDK13 covalent kinase inhibitor with IC50 of 158 nM and 69 nM, respectively. THZ531: inhibits both CDK12 and CDK13; structure in first source | aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
dBET6 | organic molecular entity | ||
phaeosphaeride a | phaeosphaeride A: inhibits STAT3-dependent signaling; structure in first source | ||
MZ1 | organic molecular entity | ||
chir 258 | |||
acyclovir | acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections. Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes. | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
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 |
((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 |
folic acid | folcysteine: used to promote fertility in chickens vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
rifampin | Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160) | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
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 |
ganciclovir | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug | |
sildenafil | sildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position. | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
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 |
penciclovir | penciclovir : A member of the class of 2-aminopurines that is guanine in which the hydrogen at position 9 is substituted by a 4-hydroxy-3-(hydroxymethyl)but-1-yl group. An antiviral drug, it is administered topically for treatment of herpes labialis. A prodrug, famciclovir, is used for oral administration. | 2-aminopurines; propane-1,3-diols | antiviral drug |
zaprinast | zaprinast: anaphylaxis inhibitor; structure | triazolopyrimidines | |
raltitrexed | N-acyl-amino acid | ||
vardenafil | vardenafil : The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine. | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
salinazid | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
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 |
norclozapine | N-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. norclozapine: structure given in first source | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
ag 337 | |||
1-hydroxyphenazine | 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position. 1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa | phenazines | |
2-pyridin-4-yl-1H-quinazolin-4-one | organonitrogen heterocyclic compound | ||
aprepitant | aprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING. | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
tegaserod maleate | maleate salt | serotonergic agonist | |
xav939 | XAV939 : A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group. XAV939: selectively inhibits beta-catenin-mediated transcription; structure in first source | (trifluoromethyl)benzenes; thiopyranopyrimidine | tankyrase inhibitor |
ag-879 | AG-879: structure given in first source | ||
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 | ||
N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamide | quinazolines | ||
heliomycin | heliomycin: Russian drug; antibiotic with antiviral properties isolated from Actinomyces flavochromogenes var. heliomycini; structure | ||
methylnitronitrosoguanidine | Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position | nitroso compound | alkylating agent |
2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-one | quinazolines | ||
clozapine n-oxide | clozapine N-oxide: structure given in first source | dibenzodiazepine | |
desmethylolanzapine | desmethylolanzapine: structure in first source | benzodiazepine | |
febantel | febantel: structure | aryl sulfide | |
amg531 | |||
ly 518674 | LY 518674: a peroxisome proliferator-activated receptor alpha agonist; structure in first source | ||
2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone | 2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone: an alkyl ketone herbicide; structure given in first source | mixture | |
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 |
5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazole | pyrazoles; ring assembly | ||
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 | |
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 | ||
bmn 673 | talazoparib: inhibits both PARP1 and PARP2; structure in first source | ||
pf-477736 | PF 00477736: a Chk1 inhibitor; structure in first source PF-00477736 : A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1). | ||
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 |
thiamet g | |||
rifampin | |||
as1940477 | |||
paracymethadol hydrochloride, (s-(r*,r*))-isomer |