Target type: biologicalprocess
The attachment of a cell, either to another cell or to an underlying substrate such as the extracellular matrix, via cell adhesion molecules. [GOC:hb, GOC:pf]
Cell adhesion is a fundamental biological process that enables cells to interact with each other and with their surrounding environment. It plays a crucial role in a wide range of biological processes, including tissue development, morphogenesis, immune responses, and wound healing. Cell adhesion involves the formation of specialized junctions between cells, as well as interactions between cells and the extracellular matrix (ECM), a network of proteins and polysaccharides that surrounds cells. There are two main types of cell adhesion: cell-cell adhesion and cell-matrix adhesion.
Cell-cell adhesion is mediated by specialized cell adhesion molecules (CAMs), which are transmembrane proteins that project from the cell surface and interact with complementary CAMs on adjacent cells. CAMs can be classified into four major families: cadherins, integrins, immunoglobulin superfamily (IgSF) CAMs, and selectins. Cadherins are calcium-dependent adhesion molecules that play a major role in cell-cell adhesion in epithelial, mesenchymal, and neuronal tissues. Integrins are heterodimeric transmembrane proteins that bind to both ECM components and intracellular signaling molecules, linking cells to the ECM and influencing cell behavior. IgSF CAMs are a diverse family of CAMs that participate in a wide range of cell-cell interactions, including immune responses, nervous system development, and cell-cell recognition. Selectins are carbohydrate-binding proteins that mediate transient interactions between cells, particularly in the immune system, where they are involved in leukocyte recruitment to sites of inflammation.
Cell-matrix adhesion is mediated by integrins, which bind to ECM components such as collagen, laminin, and fibronectin. Integrins interact with intracellular signaling molecules, such as the actin cytoskeleton, to transmit signals that influence cell behavior, including cell migration, proliferation, and differentiation.
The process of cell adhesion is highly regulated and dynamic, influenced by a variety of factors, including:
* **Cell type:** Different cell types express different CAMs and integrins, resulting in specific adhesion patterns.
* **ECM composition:** The composition of the ECM influences the binding of integrins and thereby regulates cell adhesion.
* **Extracellular signals:** Growth factors, cytokines, and other extracellular signals can modulate the expression and activity of CAMs and integrins.
* **Intracellular signaling pathways:** Cell adhesion triggers intracellular signaling pathways that regulate gene expression and cell behavior.
Dysregulation of cell adhesion can contribute to a wide range of diseases, including cancer, inflammation, and developmental defects. For example, cancer cells often exhibit reduced cell adhesion, enabling them to metastasize to distant sites. Conversely, excessive cell adhesion can contribute to the development of fibrotic diseases.
In summary, cell adhesion is a complex and essential biological process that involves a variety of molecules and signaling pathways. It plays a critical role in tissue development, morphogenesis, and other essential biological functions. Understanding the mechanisms of cell adhesion is crucial for developing new therapies for a wide range of diseases.'
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Protein | Definition | Taxonomy |
---|---|---|
Type 1 fimbrin D-mannose specific adhesin | A type 1 fimbrin D-mannose specific adhesin that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P08191] | Escherichia coli K-12 |
Type 1 fimbrin D-mannose specific adhesin | A type 1 fimbrin D-mannose specific adhesin that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P08191] | Escherichia coli K-12 |
Adenosine deaminase | An adenosine deaminase that is encoded in the genome of cow. [OMA:P56658, PRO:DNx] | Bos taurus (cattle) |
Protein kinase C alpha type | A protein kinase C alpha type that is encoded in the genome of cow. [OMA:P04409, PRO:DNx] | Bos taurus (cattle) |
Prolyl endopeptidase FAP | [no definition available] | Bos taurus (cattle) |
Proto-oncogene tyrosine-protein kinase Src | A proto-oncogene tyrosine-protein kinase Src that is encoded in the genome of chicken. [OMA:P00523, PRO:DNx] | Gallus gallus (chicken) |
Sialic acid-binding Ig-like lectin 7 | A sialic acid-binding Ig-like lectin 7 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9Y286] | Homo sapiens (human) |
Tyrosine-protein kinase Fer | A tyrosine-protein kinase Fer that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16591] | Homo sapiens (human) |
Tyrosine-protein kinase Fes/Fps | A tyrosine-protein kinase Fes/Fps that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07332] | Homo sapiens (human) |
Folate receptor beta | A folate receptor beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14207] | Homo sapiens (human) |
Proto-oncogene tyrosine-protein kinase Src | A proto-oncogene tyrosine-protein kinase Src that is encoded in the genome of human. [PRO:CNA, UniProtKB:P12931] | Homo sapiens (human) |
Folate receptor alpha | A folate receptor alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P15328] | Homo sapiens (human) |
Serine/threonine-protein kinase D2 | A serine/threonine-protein kinase D2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BZL6] | Homo sapiens (human) |
Membrane primary amine oxidase | A membrane primary amine oxidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16853] | Homo sapiens (human) |
Discoidin domain-containing receptor 2 | A discoidin domain-containing receptor 2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q16832] | Homo sapiens (human) |
Cytochrome P450 1B1 | A cytochrome P450 1B1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16678] | Homo sapiens (human) |
Serine/threonine-protein kinase N2 | A serine/threonine-protein kinase N2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16513] | Homo sapiens (human) |
Advanced glycosylation end product-specific receptor | An advanced glycosylation end product-specific receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15109] | Homo sapiens (human) |
P-selectin glycoprotein ligand 1 | A P-selectin glycoprotein ligand 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q14242] | Homo sapiens (human) |
Disintegrin and metalloproteinase domain-containing protein 9 | A disintegrin and metalloproteinase domain-containing protein 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13443] | Homo sapiens (human) |
Prolyl endopeptidase FAP | A prolyl endopeptidase FAP that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12884] | Homo sapiens (human) |
Epithelial discoidin domain-containing receptor 1 | A discoidin domain-containing receptor 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q08345] | Homo sapiens (human) |
Tyrosine-protein kinase receptor TYRO3 | A tyrosine-protein kinase receptor TYRO3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q06418] | Homo sapiens (human) |
Disintegrin and metalloproteinase domain-containing protein 17 | An ADAM 17 endopeptidase that is encoded in the genome of human. [PRO:WCB, UniProtKB:P78536] | Homo sapiens (human) |
Ras-related C3 botulinum toxin substrate 1 | A Ras-related C3 botulinum toxin substrate 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P63000] | Homo sapiens (human) |
Interleukin-2 | An interleukin-2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P60568] | Homo sapiens (human) |
Galectin-4 | A galectin-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56470] | Homo sapiens (human) |
Ephrin type-A receptor 4 | An ephrin type-A receptor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54764] | Homo sapiens (human) |
Ephrin type-B receptor 4 | An ephrin type-B receptor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54760] | Homo sapiens (human) |
cAMP-dependent protein kinase catalytic subunit PRKX | A serine/threonine-protein kinase PRKX that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51817] | Homo sapiens (human) |
Cytoplasmic tyrosine-protein kinase BMX | A cytoplasmic tyrosine-protein kinase BMX that is encoded in the genome of human. [PRO:WCB, UniProtKB:P51813] | Homo sapiens (human) |
C-C chemokine receptor type 8 | A C-C chemokine receptor type 8 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P51685] | Homo sapiens (human) |
C-C chemokine receptor type 3 | A C-C chemokine receptor type 3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P51677] | Homo sapiens (human) |
Potassium-transporting ATPase subunit beta | A potassium-transporting ATPase subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51164] | Homo sapiens (human) |
Ectonucleoside triphosphate diphosphohydrolase 1 | An ectonucleoside triphosphate diphosphohydrolase 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P49961] | Homo sapiens (human) |
C-X-C chemokine receptor type 3 | A C-X-C chemokine receptor type 3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P49682] | Homo sapiens (human) |
Stromal cell-derived factor 1 | A stromal cell-derived factor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48061] | Homo sapiens (human) |
Tyrosine-protein kinase ABL2 | A tyrosine-protein kinase ABL2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42684] | Homo sapiens (human) |
Myosin-10 | A myosin-10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35580] | Homo sapiens (human) |
Catenin beta-1 | A catenin beta-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P35222] | Homo sapiens (human) |
C-C chemokine receptor type 1 | A C-C chemokine receptor type 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P32246] | Homo sapiens (human) |
Ephrin type-A receptor 8 | An ephrin type-A receptor 8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29322] | Homo sapiens (human) |
Ephrin type-A receptor 3 | An ephrin type-A receptor 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29320] | Homo sapiens (human) |
Ephrin type-A receptor 2 | An ephrin type-A receptor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29317] | Homo sapiens (human) |
Dipeptidyl peptidase 4 | A dipeptidyl peptidase 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P27487] | Homo sapiens (human) |
Integrin beta-7 | An integrin beta-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26010] | Homo sapiens (human) |
Atypical chemokine receptor 3 | An atypical chemokine receptor 3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P25106] | Homo sapiens (human) |
N-formyl peptide receptor 2 | An N-formyl peptide receptor 2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P25090] | Homo sapiens (human) |
Adenomatous polyposis coli protein | An adenomatous polyposis coli protein that is encoded in the genome of human. [PMID:11283619, PMID:20823832, PRO:KER] | Homo sapiens (human) |
Nucleoside diphosphate kinase B | A nucleoside diphosphate kinase B that is encoded in the genome of human. [PRO:DAN, UniProtKB:P22392] | Homo sapiens (human) |
Acetylcholinesterase | An acetylcholinesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22303] | Homo sapiens (human) |
Kit ligand | A kit ligand that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21583] | Homo sapiens (human) |
Sphingosine 1-phosphate receptor 1 | A sphingosine 1-phosphate receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P21453] | Homo sapiens (human) |
Integrin alpha-L | An integrin alpha-L that is encoded in the genome of human. [PRO:CNA, UniProtKB:P20701] | Homo sapiens (human) |
Vascular cell adhesion protein 1 | A vascular cell adhesion protein 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P19320] | Homo sapiens (human) |
Integrin beta-6 | An integrin beta-6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18564] | Homo sapiens (human) |
Integrin alpha-2 | An integrin alpha-2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P17301] | Homo sapiens (human) |
Protein kinase C alpha type | A protein kinase C alpha type that is encoded in the genome of human. [PRO:CL, UniProtKB:P17252] | Homo sapiens (human) |
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | A sarcoplasmic/endoplasmic reticulum calcium ATPase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16615] | Homo sapiens (human) |
P-selectin | A P-selectin that is encoded in the genome of human. [PRO:WCB, UniProtKB:P16109] | Homo sapiens (human) |
CD44 antigen | A CD44 molecule that is encoded in the genome of human. [PRO:WCB, UniProtKB:P16070] | Homo sapiens (human) |
L-selectin | An L-selectin that is encoded in the genome of human. [PRO:JAN, UniProtKB:P14151] | Homo sapiens (human) |
C-C motif chemokine 2 | A C-C motif chemokine 2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P13500] | Homo sapiens (human) |
Receptor-type tyrosine-protein phosphatase F | A receptor-type tyrosine-protein phosphatase F that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10586] | Homo sapiens (human) |
40S ribosomal protein SA | A eukaryotic-type small ribosomal subunit protein uS2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08865] | Homo sapiens (human) |
Integrin alpha-5 | An integrin alpha-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08648] | Homo sapiens (human) |
Tyrosine-protein kinase HCK | A tyrosine-protein kinase HCK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08631] | Homo sapiens (human) |
Integrin alpha-V | An integrin alpha-V that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06756] | Homo sapiens (human) |
Integrin beta-1 | An integrin beta-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05556] | Homo sapiens (human) |
Intercellular adhesion molecule 1 | An intercellular adhesion molecule 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05362] | Homo sapiens (human) |
Integrin beta-2 | An integrin beta-2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05107] | Homo sapiens (human) |
Integrin beta-3 | An integrin beta-3 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
Amyloid-beta precursor protein | An amyloid-beta precursor protein that is encoded in the genome of human. [PRO:DAN] | Homo sapiens (human) |
Sodium/potassium-transporting ATPase subunit beta-1 | A sodium/potassium-transporting ATPase subunit beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05026] | Homo sapiens (human) |
Protein S100-B | A protein S100-B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04271] | Homo sapiens (human) |
Fibronectin | A fibronectin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02751] | Homo sapiens (human) |
T-cell surface glycoprotein CD4 | A CD4 molecule that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01730] | Homo sapiens (human) |
Adenosine deaminase | An adenosine deaminase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00813] | Homo sapiens (human) |
NUAK family SNF1-like kinase 1 | A NUAK family SNF1-like kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60285] | Homo sapiens (human) |
Disintegrin and metalloproteinase domain-containing protein 12 | A disintegrin and metalloproteinase domain-containing protein 12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43184] | Homo sapiens (human) |
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | A phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15357] | Homo sapiens (human) |
Peripheral plasma membrane protein CASK | A peripheral plasma membrane protein CASK that is encoded in the genome of human. [PRO:CNx, UniProtKB:O14936] | Homo sapiens (human) |
Compound | Definition | Classes | Roles |
---|---|---|---|
1,2,4-trichlorobenzene | 1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4. | trichlorobenzene | |
quinacrine | quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9. Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2. | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
benzene | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent | |
carbamic acid | carbamic acid : A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. | carbon oxoacid; one-carbon compound; organonitrogen compound | Escherichia coli metabolite |
chlordecone | cyclic ketone; organochlorine compound | insecticide; persistent organic pollutant | |
choline | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite | |
citric acid, anhydrous | citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability. | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
coumarin | 2H-chromen-2-one: coumarin derivative | coumarins | fluorescent dye; human metabolite; plant metabolite |
salicylic acid | Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
3-cresol | 3-cresol: RN given refers to parent cpd m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. | cresol | human xenobiotic metabolite |
4-hydroxyphenylglyoxylic acid | 4-hydroxyphenylglyoxylate : Conjugate base of 4-hydroxyphenylglyoxylic acid. 4-hydroxyphenylglyoxylic acid: RN given refers to parent cpd | phenols | |
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 |
4-nitrophenylphosphate | 4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid | aryl phosphate | mouse metabolite |
bupropion | bupropion : An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. Bupropion: A propiophenone-derived antidepressant and antismoking agent that inhibits the uptake of DOPAMINE. | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
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 | ||
lactic acid | 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed) | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
diacetyl | butane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
imidazole | 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. imidazole: RN given refers to parent cpd | imidazole | |
indole | indole; polycyclic heteroarene | Escherichia coli metabolite | |
thyroxine | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine; non-proteinogenic alpha-amino acid; tyrosine derivative | mitogen | |
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 |
malonic acid | dicarboxylic acid : Any carboxylic acid containing two carboxy groups. malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group. | alpha,omega-dicarboxylic acid | human metabolite |
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 | |
niacin | Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms). | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
oxalic acid | oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent. | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
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 |
phenethylamine | 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position. phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
phosphoric acid | phosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. phosphoric acid: concise etchant is 37% H3PO4 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
quinolinic acid | pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan. Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS. | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
toluene | methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
xanthine | 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. | xanthine | Saccharomyces cerevisiae metabolite |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies. | non-proteinogenic alpha-amino acid | |
huperzine a | huperzine A : A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It is also an effective inhibitor of acetylcholinesterase and has attracted interest as a therapeutic candidate for Alzheimer's disease. huperzine A: RN given refers to 5R-(5alpha,9beta,11E)-isomer; structure given in first source | quinolone | |
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 |
bw 284 c 51 | |||
1-(3-chlorophenyl)biguanide | 1-(3-chlorophenyl)biguanide: RN given refers to parent cp; a 5-HT3 receptor agonist | biguanides; monochlorobenzenes | |
edelfosine | 1-octadecyl-2-methylglycero-3-phosphocholine : A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively. edelfosine : A racemate comprising equimolar amounts of (R)- and (S)-edelfosine. edelfosine: RN given refers to parent cpd | glycerophosphocholine | |
pd 173074 | aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist | |
2,2'-dipyridyl | 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. 2,2'-Dipyridyl: A reagent used for the determination of iron. | bipyridine | chelator; ferroptosis inhibitor |
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 |
3,4-dichloroisocoumarin | 3,4-dichloroisocoumarin : A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor. | isocoumarins; organochlorine compound | geroprotector; serine protease inhibitor |
tramiprosate | 3-aminopropanesulfonic acid : An amino sulfonic acid that is the 3-amino derivative of propanesulfonic acid. tramiprosate: GABA receptor agonist and a glycosaminoglycan mimetic; has nootropic acitivity; structure; a sulfonate analog of GABA | amino sulfonic acid; zwitterion | algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent |
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 |
cgp 52411 | 4,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups. 4,5-dianilinophthalimide: structure given in first source | phthalimides | geroprotector; tyrosine kinase inhibitor |
4-(2-aminoethyl)benzenesulfonylfluoride | |||
p-chloromercuribenzoic acid | p-Chloromercuribenzoic Acid: An organic mercurial used as a sulfhydryl reagent. | chlorine molecular entity; mercuribenzoic acid | |
4-phenyl-3-furoxancarbonitrile | 4-phenyl-3-furoxancarbonitrile : A 1,2,5-oxadiazole substituted by an oxido, cyano and phenyl groups at positions 2, 3 and 4, respectively. It is a vasodilator and inhibitor of platelet aggregation. 4-phenyl-3-furoxancarbonitrile: structure given in first source | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator 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 |
5-(nonyloxy)tryptamine | 5-(nonyloxy)tryptamine: a 5-HT1D beta serotonin receptor agonist; structure given in first source 5-nonyloxytryptamine : A tryptamine derivative that consists of serotonin bearing an additional O-nonyl substituent. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold). | aromatic ether; primary amino compound; tryptamines | serotonergic agonist |
5-iodo-2-(oxaloamino)benzoic acid | organoiodine compound | ||
6,7-dichloroquinoxaline-2,3-dione | quinoxaline derivative | ||
6-methoxytryptoline | 6-methoxytryptoline: RN given refers to parent cpd; structure | ||
6-nitroso-1,2-benzopyrone | |||
7,8-dihydroxyflavone | 7,8-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's. | dihydroxyflavone | antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist |
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 |
acetazolamide | Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337) | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
ethacridine | Ethacridine: A topically applied anti-infective agent. | acridines | |
rtki cpd | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector | |
tyrphostin 25 | benzenetriol | ||
albendazole | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator | |
alendronate | alendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
alfuzosin | alfuzosin: structure given in first source | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
ambenonium | ambenonium : A symmetrical oxalamide-based bis-quaternary ammonium ion having ethyl and 2-chlorobenzyl groups attached to the nitrogens. | quaternary ammonium ion | EC 3.1.1.8 (cholinesterase) inhibitor |
amiodarone | amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance. | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amodiaquine | amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties. | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
amoxapine | amoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position. Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression. | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
amsacrine | amsacrine : A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity. Amsacrine: An aminoacridine derivative that intercalates into DNA and is used as an antineoplastic agent. | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
anisindione | anisindione : A cyclic beta-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position. anisindione: structure | aromatic ketone; beta-diketone | anticoagulant; vitamin K antagonist |
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 |
aspirin | acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5) | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
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 |
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate | alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate: a glutamate agonist | alpha-amino acid | |
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 |
benextramine | benextramine: RN given refers to parent cpd | ||
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 |
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 | |
5-methoxypsoralen | 5-methoxypsoralen : A 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5. 5-Methoxypsoralen: A linear furanocoumarin that has phototoxic and anti-inflammatory properties, with effects similar to METHOXSALEN. It is used in PUVA THERAPY for the treatment of PSORIASIS. | 5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens | hepatoprotective agent; plant metabolite |
propiolactone | Propiolactone: Disinfectant used in vapor form to sterilize vaccines, grafts, etc. The vapor is very irritating and the liquid form is carcinogenic. | propan-3-olide | |
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 | |
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 | |
bisindolylmaleimide i | bisindolylmaleimide I: a bis(indolyl)maleimide | ||
bisindolylmaleimide iv | indoles; maleimides | ||
ro 31-8425 | |||
broxyquinoline | broxyquinoline: structure | organohalogen compound; quinolines | |
bumetanide | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor | |
busulfan | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent | |
butenafine | butenafine : Trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections. butenafine: studied on experimental dermatophytosis | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
caffeine | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic | |
candesartan cilexetil | candesartan cilexetil: a prodrug which is metabolized to an active form candesartan to exert its biological effects | biphenyls | |
cantharidin | furofuran | ||
carvedilol | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent | |
chelerythrine | chelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
chloroquine | chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses. | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
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 |
chlorpromazine | chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup. | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
chromone-2-carboxylic acid | chromones | ||
ciglitazone | ciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist. ciglitazone: structure given in second source; PPAR agonist used for type II diabetes | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
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 |
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 | |
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 |
clofoctol | diarylmethane | ||
clotrimazole | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic | |
4-cresol | 4-cresol: RN given refers to parent cpd p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
decamethonium | decamethonium : A quaternary ammonium ion that is a depolarising muscle relaxant whose structure comprises a decane-1,10-diamine core in which each amino group carries three methyl substituents. decamethonium: RN given refers to parent cpd | quaternary ammonium ion | muscle relaxant; nicotinic acetylcholine receptor agonist |
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 |
r 59022 | R 59022: diacylglycerol kinase inhibitor; structure given in first source; platelet activator factor antagonist | diarylmethane | |
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 |
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 | |
dichlorphenamide | Dichlorphenamide: A carbonic anhydrase inhibitor that is used in the treatment of glaucoma. diclofenamide : A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma. | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
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 |
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 |
diphenyleneiodonium | dibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine. diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor | organic cation | |
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 |
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 | |
2,3-dimethoxy-1,4-naphthoquinone | 2,3-dimethoxynaphthalene-1,4-dione : A naphthoquinone that is 1,4-naphthoquinone bearing two methoxy substituents at positions 2 and 3. Redox-cycling agent that induces intracellular superoxide anion formation and, depending on the concentration, induces cell proliferation, apoptosis or necrosis. Used to study the role of ROS in cell toxicity, apoptosis, and necrosis. | 1,4-naphthoquinones | |
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 |
dyclonine | aromatic ketone; piperidines | topical anaesthetic | |
ebastine | organic molecular entity | ||
ebselen | ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase. | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
econazole | 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group. econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. Econazole: An imidazole derivative that is commonly used as a topical antifungal agent. | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
edrophonium | edrophonium : A quaternary ammonium ion that is N-ethyl-N,N-dimethylanilinium in which one of the meta positions is substituted by a hydroxy group. It is a reversible inhibitor of cholinesterase, with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes). The chloride salt is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. Edrophonium: A rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles. | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
9-(2-hydroxy-3-nonyl)adenine | 9-(2-hydroxy-3-nonyl)adenine: specific inhibitor of adenosine deaminase | ||
ellipticine | ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
embelin | embelin : A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. embelin: from Embelia fruit (Myrsinaceae) | dihydroxy-1,4-benzoquinones | antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite |
emodin | emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies. | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
profenamine | profenamine : A member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease. profenamine: was heading 1972-94 (see under PHENOTHIAZINES 1972-90); use PHENOTHIAZINES to search ETHOPROPAZINE 1972-94 | phenothiazines; tertiary amino compound | adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist |
ethoxzolamide | ethoxzolamide : A sulfonamide that is 1,3-benzothiazole-2-sulfonamide which is substituted by an ethoxy group at position 6. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic. Ethoxzolamide: A carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia. | aromatic ether; benzothiazoles; sulfonamide | antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
s-ethyl n-(4-(trifluoromethyl)phenyl)isothiourea | S-ethyl N-(4-(trifluoromethyl)phenyl)isothiourea: structure in first source | ||
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | carbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group. Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies. | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
fenofibrate | Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
fluphenazine | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug | |
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 |
fluspirilene | Fluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia. | diarylmethane | |
fosfosal | fosfosal: reagent for testing the activity of certain enzymes | aryl phosphate | |
furafylline | oxopurine | ||
gallamine triethiodide | aromatic ether | ||
vanoxerine | vanoxerine : An N-alkylpiperazine that consists of piperazine bearing 2-bis(4-fluorophenyl)methoxy]ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. 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. vanoxerine: structure given in first source | ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound | dopamine uptake inhibitor |
gbr 12935 | 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine : An N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes). | ether; N-alkylpiperazine; tertiary amino compound | dopamine uptake inhibitor |
go 6976 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor | |
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. | ||
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide | isoquinolines; sulfonamide | ||
n-(2-aminoethyl)-5-isoquinolinesulfonamide | |||
1-(5-isoquinolinesulfonyl)piperazine | isoquinolines | ||
fasudil | fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia. fasudil: intracellular calcium antagonist; structure in first source | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
haloperidol | haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279) | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
harmaline | harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM. | harmala alkaloid | oneirogen |
2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether | 2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether: potent inhibitor of protein kinase C; structure given in first source | tannin | |
hexachlorophene | hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union. Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797) | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
hexylresorcinol | resorcinols | ||
huprine x | huprine X: structure in first source | ||
hydralazine | hydralazine : The 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent. Hydralazine: A direct-acting vasodilator that is used as an antihypertensive agent. | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
velnacrine | velnacrine: RN given refers to (+-)-isomer; RN for cpd without isomeric designation not available 8/88; structure in first source; potential Alzheimer's disease drug but trial halted due to abnormal liver tests | acridines | |
ibuprofen | Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
phenelzine | Phenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC. | primary amine | |
batyl alcohol | batilol : An alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent. batyl alcohol: RN given refers to cpd without isomeric designation | alkylglycerol | |
indirubin-3'-monoxime | indirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. indirubin-3'-monoxime: has antiangiogenic activity | ||
indirubin-5-sulfonate | |||
indomethacin | indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES. | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic; xenobiotic metabolite |
indoprofen | indoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein. Indoprofen: A drug that has analgesic and anti-inflammatory properties. Following reports of adverse reactions including reports of carcinogenicity in animal studies it was withdrawn from the market worldwide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p21) | gamma-lactam; isoindoles; monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
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 |
iproniazid | carbohydrazide; pyridines | ||
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | WHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration | ||
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone | ZM39923: structure in first source | naphthalenes | |
1-(2-naphthalenyl)-2-propen-1-one | naphthalenes | ||
juglone | juglone : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. juglone: structure | hydroxy-1,4-naphthoquinone | geroprotector; herbicide; reactive oxygen species generator |
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 |
ketorolac | 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid : A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively. ketorolac : A racemate comprising equimolar amounts of (R)-(+)- and (S)-(-)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-(-) enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure. Ketorolac: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is an NSAID and is used principally for its analgesic activity. (From Martindale The Extra Pharmacopoeia, 31st ed) | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
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 |
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 |
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 |
leflunomide | leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide. Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS. | (trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide | antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor |
lidoflazine | Lidoflazine: Coronary vasodilator with some antiarrhythmic action. | diarylmethane | |
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 |
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 |
edaravone | pyrazolone | antioxidant; radical scavenger | |
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 | ||
memantine | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist | |
vitamin k 3 | Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
metformin | metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289) | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
methazolamide | Methazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma. | sulfonamide; thiadiazoles | |
methoctramine | aromatic ether; tetramine | muscarinic antagonist | |
doxorubicin hydrochloride | folic acids | ||
methoxsalen | methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation. | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
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 |
3,7-bis(dimethylamino)phenothiazin-5-ium | 3,7-bis(dimethylamino)phenothiazin-5-ium : An organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'. | organic cation | |
methyl methanesulfonate | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen | |
metoclopramide | metoclopramide : A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine. Metoclopramide: A dopamine D2 antagonist that is used as an antiemetic. | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
miconazole | 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes. Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion. | dichlorobenzene; ether; imidazoles | |
minaprine | minaprine: Agr 1240 refers to di-HCl; short-acting type A MAO inhibitor (MAOI) of mild potency; structure | morpholines; pyridazines; secondary amine | antidepressant; antiparkinson drug; cholinergic drug; dopamine uptake inhibitor; serotonin uptake inhibitor |
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 |
1,3-dicyclohexylurea | 1,3-dicyclohexylurea: degradation product of 1-(2-chloroethyl)-3- cyclohexyl-1-nitrosourea; structure | ureas | |
way 151693 | |||
fg 7142 | FG 7142: benzodiazepine receptor agonist | beta-carbolines | |
clorgyline | clorgyline : An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant. Clorgyline: An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE. | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
deoxyepinephrine | Deoxyepinephrine: Sympathomimetic, vasoconstrictor agent. | catecholamine | |
etoposide phosphate | |||
nabumetone | nabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs. Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS. | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nafamostat | nafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplastic | benzoic acids; guanidines | |
nefazodone | nefazodone: may be useful as an opiate adjunct | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
neostigmine | neostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor. Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier. | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
nevirapine | nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection. Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS. | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nialamide | Nialamide: An MAO inhibitor that is used as an antidepressive agent. | organonitrogen compound; organooxygen 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 |
nizatidine | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist | |
nortriptyline | nortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline. Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions. | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
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 | |
oxybutynin | oxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder. oxybutynin: RN given refers to parent cpd | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
quinone | 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene. benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
pantoprazole | pantoprazole : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2. Pantoprazole: 2-pyridinylmethylsulfinylbenzimidazole proton pump inhibitor that is used in the treatment of GASTROESOPHAGEAL REFLUX and PEPTIC ULCER. | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
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 |
pargyline | Pargyline: A monoamine oxidase inhibitor with antihypertensive properties. | aromatic amine | |
patulin | patulin : A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. Patulin: 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one. A mycotoxin produced by several species of Aspergillus and Penicillium. It is found in unfermented apple and grape juice and field crops. It has antibiotic properties and has been shown to be carcinogenic and mutagenic and causes chromosome damage in biological systems. | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
pd 153035 | 4-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7. | aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
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 98059 | 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'. | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
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 |
pentoxifylline | oxopurine | ||
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 |
phenazopyridine | phenazopyridine : A diaminopyridine that is 2,6-diaminopyridine substituted at position 3 by a phenylazo group. 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. Phenazopyridine: A local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity. | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
phenindione | Phenindione: An indandione that has been used as an anticoagulant. Phenindione has actions similar to WARFARIN, but it is now rarely employed because of its higher incidence of severe adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p234) | aromatic ketone; beta-diketone | anticoagulant |
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 | |
phenyl biguanide | phenyl biguanide : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group. phenyl biguanide: RN given refers to parent cpd | guanidines | central nervous system drug |
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | pyrroloindole | ||
pifithrin | pifithrin: a tetrahydrobenzothiazol; inhibitor of P53 that protects mice from the side effects of cancer therapy; structure in first source | aromatic ketone | |
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 |
pirenzepine | Pirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients. | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
piretanide | piretanide: potent inhibitor of chloride transport; structure | aromatic ether | |
piribedil | Piribedil: A dopamine D2 agonist. It is used in the treatment of parkinson disease, particularly for alleviation of tremor. It has also been used for circulatory disorders and in other applications as a D2 agonist. | N-arylpiperazine | |
pomiferin | pomiferin: structure in first source | isoflavanones | |
1-NA-PP1 | pyrazolopyrimidine | tyrosine kinase inhibitor | |
ag 1879 | 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
duodote | duodote: consists of atropine and pralidoxime chloride; for treating those exposed to organophosphorus-containing nerve agents | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
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 |
primaquine | primaquine : An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia. Primaquine: An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404) | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
probucol | probucol : A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood. Probucol: A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993). | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
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 |
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 |
propentofylline | oxopurine | ||
propidium | Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits. | phenanthridines; quaternary ammonium ion | fluorochrome; intercalator |
propoxur | propoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group. Propoxur: A carbamate insecticide. | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
protopine | dibenzazecine alkaloid | plant metabolite | |
pyridostigmine | pyridinium ion | ||
pyrimethamine | Maloprim: contains above 2 cpds | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
1,2,5,8-tetrahydroxy anthraquinone | 1,2,5,8-tetrahydroxy anthraquinone: structure in first source quinalizarin : A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions. | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
quipazine | Quipazine: A pharmacologic congener of serotonin that contracts smooth muscle and has actions similar to those of tricyclic antidepressants. It has been proposed as an oxytocic. | piperazines; pyridines | |
raloxifene | raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
ranitidine | aralkylamine | ||
riluzole | Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS. | benzothiazoles | |
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 |
ro 31-8220 | Ro 31-8220: a protein kinase C inhibitor | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
rofecoxib | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug | |
aurin | aurin: structure | diarylmethane | |
roxarsone | roxarsone : An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl. Roxarsone: An arsenic derivative which has anticoccidial action and promotes growth in animals. | 2-nitrophenols; organoarsonic acid | agrochemical; animal growth promotant; antibacterial drug; coccidiostat |
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 |
sanguinarine | benzophenanthridine alkaloid : A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family. | alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent | |
sb 206553 | SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first source | pyrroloindole | |
sb 239063 | SB 239063: structure in first source SB-239063 : A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively. | imidazoles | |
sb 202190 | 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
silymarin | flavonolignan | ||
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 |
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) | ||
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | alkylbenzene | ||
suramin | suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years. Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties. | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
temozolomide | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug | |
tetraisopropylpyrophosphamide | Tetraisopropylpyrophosphamide: N,N',N'',N'''-Tetraisopropylpyrophosphamide. A specific inhibitor of pseudocholinesterases. It is commonly used experimentally to determine whether pseudo- or acetylcholinesterases are involved in an enzymatic process. | phosphoramide | |
thiabendazole | Tresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
ticlopidine | ticlopidine : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group. Ticlopidine: An effective inhibitor of platelet aggregation commonly used in the placement of STENTS in CORONARY ARTERIES. | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
ici 136,753 | pyrazolopyridine | ||
triacetin | triacetin : A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections. Triacetin: A triglyceride that is used as an antifungal agent. | triglyceride | adjuvant; antifungal drug; food additive carrier; food emulsifier; food humectant; fuel additive; plant metabolite; solvent |
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 |
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 | |
trifluperidol | Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621) | aromatic ketone | |
triflupromazine | triflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position. Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic. | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
trigonelline | N-methylnicotinate : An iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. N-methylnicotinic acid : A pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen. trigonelline: in hydra among other organisms; RN given refers to hydroxide inner salt; structure | alkaloid; iminium betaine | food component; human urinary metabolite; plant metabolite |
trimethoprim | trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported. | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
trimetrexate | Trimetrexate: A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect. | ||
tyrphostin a9 | alkylbenzene | geroprotector | |
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone | cyclodepsipeptide | ||
wb 4101 | N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist. | aromatic ether; benzodioxine; secondary amino compound | alpha-adrenergic antagonist |
1,4-phenylenebis(methylene)selenocyanate | 1,4-phenylenebis(methylene)selenocyanate: structure given in first source; inhibits DMBA-induced carcinogenesis by inhibiting DMBA-DNA adduct formation | ||
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 |
zm 336372 | N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first source | benzamides | |
donepezil hydrochloride | donepezil hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)- donepezil hydrochloride. Its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. | ||
alloxan | alloxan : A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups. Alloxan: Acidic compound formed by oxidation of URIC ACID. It is isolated as an efflorescent crystalline hydrate. | pyrimidone | hyperglycemic agent; metabolite |
2,5-dichlorobenzoic acid | 2,5-dichlorobenzoic acid : A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 5 are substituted by chloro groups. | chlorobenzoic acid; dichlorobenzene | |
benzimidazole | 1H-benzimidazole : The 1H-tautomer of benzimidazole. | benzimidazole; polycyclic heteroarene | |
isoproterenol hydrochloride | catechols | ||
neostigmine methylsulfate | arylammonium sulfate salt | EC 3.1.1.8 (cholinesterase) inhibitor | |
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 |
1,2,5,6-dibenzanthracene | 1,2,5,6-dibenzanthracene: RN given refers to parent cpd | ortho-fused polycyclic arene | mutagen |
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 |
mechlorethamine hydrochloride | mechlorethamine hydrochloride : The hydrochloride salt of mechlorethamine. | hydrochloride | antineoplastic agent |
isoflurophate | Isoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM. | dialkyl phosphate | |
cantharidin | cantharidin : A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A. Cantharidin: A toxic compound, isolated from the Spanish fly or blistering beetle (Lytta (Cantharis) vesicatoria) and other insects. It is a potent and specific inhibitor of protein phosphatases 1 (PP1) and 2A (PP2A). This compound can produce severe skin inflammation, and is extremely toxic if ingested orally. | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
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 |
physostigmine | Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
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 |
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 |
adenosine monophosphate | Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
papaverine hydrochloride | |||
n,n-dimethyltryptamine | N,N-dimethyltryptamine : A tryptamine derivative having two N-methyl substituents on the side-chain. N,N-Dimethyltryptamine: An N-methylated indoleamine derivative and serotonergic hallucinogen which occurs naturally and ubiquitously in several plant species including Psychotria veridis. It also occurs in trace amounts in mammalian brain, blood, and urine, and is known to act as an agonist or antagonist of certain SEROTONIN RECEPTORS. | tryptamine alkaloid; tryptamines | |
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 |
berlition | (R)-lipoic acid : The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties. berlition: antioxidant preparation containing alpha-lipoic acid, used in the neuroprotective therapy of chronic brain ischemia for correction of free-radical processes lipoic acid : A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position. | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group |
ficusin | Ficusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking. psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. | psoralens | plant metabolite |
quinacrine monohydrochloride | |||
alizarin | dihydroxyanthraquinone | chromophore; dye; plant metabolite | |
trichloroacetic acid | trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts. | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
tabun | tabun: proposed as military nerve gas and exptl cholinesterase inhibitor; extremely poisonous; structure | ||
quinic acid | (-)-quinic acid : The (-)-enantiomer of quinic acid. | ||
isoprene | isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
purpurin | purpurin : A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. purpurin: from Rubiaceae plants; structure in first source | trihydroxyanthraquinone | biological pigment; histological dye; plant metabolite |
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 |
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione | flavin | ||
9,10-phenanthrenequinone | 9,10-phenanthrenequinone: structure | phenanthrenes | |
acriflavine chloride | 3,6-diamino-10-methylacridinium chloride : The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine. | organic chloride salt | antibacterial agent; antiseptic drug; carcinogenic agent; histological dye; intercalator |
salicylanilide | salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. salicylanilide: RN given refers to parent cpd | benzanilide fungicide; salicylamides; salicylanilides | |
5-bromoisatin | indoles | anticoronaviral agent | |
1-naphthylphenylamine | N-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structure | naphthalenes | |
1,2,3,4-tetrahydroisoquinoline | 1,2,3,4-tetrahydroisoquinoline: RN given refers to cpd with locants as specified | isoquinolines | |
isatin | tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal; | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
dehydrothio-4-toluidine | dehydrothio-4-toluidine: structure in first source | ||
phenidone | phenidone: photographic developer; RN given refers to parent cpd; structure | ||
benzidine | benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group. benzidine: RN given refers to parent cpd | biphenyls; substituted aniline | carcinogenic agent |
2-xylene | 2-xylene: RN given refers to parent cpd o-xylene : A xylene substituted by methyl groups at positions 1 and 2. | xylene | |
1,3-ditolylguanidine | 1,3-ditolylguanidine: structure given in first source; a selective ligand for the sigma binding sites in the brain | toluenes | |
3-nitrotoluene | mononitrotoluene | ||
carveol | carveol : A limonene monoterpenoid that is cyclohex-2-en-1-ol substituted by a methyl group at position 2 and a prop-1-en-2-yl group at position 5. carveol: structure given in first source; prolongs tumor latency and decreases tumor yield | limonene monoterpenoid | plant metabolite; volatile oil component |
4-nitrotoluene | 4-nitrotoluene : A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position. 4-nitrotoluene: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6470 mononitrotoluene : A nitrotoluene bearing a single nitro substituent at any position. A "closed class". | mononitrotoluene | |
terephthalic acid | terephthalic acid : A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. terephthalic acid: RN given refers to 1,4-benzenedicarboxylic acid | benzenedicarboxylic acid | |
ethylbenzene | alkylbenzene | ||
benzylamine | aminotoluene : Any member of the class of toluenes carrying one or more amino groups. | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
pyridostigmine bromide | Pyridostigmine Bromide: A cholinesterase inhibitor with a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants. | pyridinium salt | |
1,3-diphenylurea | 1,3-diphenylurea : A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera). | phenylureas | cytokinin; plant metabolite |
4-methyl anisole | methoxybenzenes | ||
betazole | betazole : Pyrazole in which a hydrogen adjacent to one of the nitrogen atoms is substituted by a 2-aminoethyl group. It is a histamine H2-receptor agonist used clinically to test gastric secretory function. Betazole: A histamine H2 agonist used clinically to test gastric secretory function. | primary amino compound; pyrazoles | diagnostic agent; gastrointestinal drug; histamine agonist |
2,4-dimethylphenol | 2,4-dimethylphenol: RN given refers to parent cpd 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4. | aromatic fungicide; phenols | disinfectant; volatile oil component |
4-xylene | p-xylene : A xylene with methyl groups at positions 1 and 4. | xylene | |
4-toluidine | 4-toluidine: RN given refers to parent cpd p-toluidine : An aminotoluene in which the amino substituent is para to the methyl group. | aminotoluene | |
3-xylene | m-xylene : A xylene carrying methyl groups at positions 1 and 3. | xylene | |
diethylamine | secondary aliphatic amine | ||
tetraethylenepentamine | polyazaalkane | copper chelator | |
neostigmine bromide | neostigmine bromide : The bromide salt of neostigmine. | bromide salt | |
edrophonium chloride | edrophonium chloride : The chloride salt of edrophonium. A reversible inhibitor of cholinesterase with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes), it is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
chloranil | Chloranil: A quinone fungicide used for treatment of seeds and foliage. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
benzoin | benzoins; secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor | |
dibenzoylmethane | dibenzoylmethane : A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. | aromatic ketone; beta-diketone | antimutagen; antineoplastic agent; metabolite |
benzethonium chloride | benzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses. | aromatic ether; chloride salt; quaternary ammonium salt | antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant |
3-nitrobenzoic acid | 3-nitrobenzoic acid: RN given refers to parent cpd | ||
suramin sodium | suramin sodium : An organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness. | organic sodium salt | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
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 |
di-n-pentyl phthalate | dipentyl phthalate : A phthalate ester that is the dipentyl ester of benzene-1,2-dicarboxylic acid. | diester; phthalate ester | plasticiser |
benzil | benzil : An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively. benzil: structure | alpha-diketone; aromatic ketone | |
1,3-diphenyl-1-triazene | 1,3-diphenyl-1-triazene: structure in first source | ||
2-aminobenzothiazole | benzothiazoles | ||
amprolium hydrochloride | |||
estragole | estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group. | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
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 |
2-chloroadenosine | 5-chloroformycin A: structure given in first source | purine nucleoside | |
2-fluoroadenosine | adenosines; organofluorine compound | ||
benzo(k)fluoranthene | naphthalenes | ||
acridines | acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom. Acridines: Compounds that include the structure of acridine. | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
edrophonium bromide | |||
hydralazine hydrochloride | hydralazine hydrochloride : The hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent. | hydrochloride | antihypertensive agent; vasodilator agent |
paraoxon | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite | |
difluorodinitrobenzene sulfone | |||
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 |
triflusal | triflusal: inhibits platelet aggregation similarly to aspirin; structure | benzoic acids; carboxylic ester; salicylates | |
galantamine | Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils. | benzazepine alkaloid; benzazepine alkaloid fundamental parent; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-), Dibromide: Proposed cholinesterase inhibitor. | ||
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 |
naphthazarin | naphthazarin : A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups. naphthazarin: fish toxin; isolated for first time from the walnut onigurmi, Juglans mandshurica maxim var. Sieboldiana Makino; structure | hydroxy-1,4-naphthoquinone | acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite |
rhein | dihydroxyanthraquinone | ||
indirubin | |||
plumbagin | plumbagin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. plumbagin: a superoxide anion generator | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
chrysophanic acid | chrysophanic acid: RN given refers to parent cpd; structure in Merck, 9th ed, #2260 chrysophanol : A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity. | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
imperatorin | imperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. imperatorin: tumor necrosis factor antagonist; furanocoumarin from West African medicinal plant Clausena anisata; structure in Negwer, 5th ed, #3005 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
indigo | hydroxyindoles | ||
oxycinchophen | quinolines | ||
vasicinone | vasicinone: isolated from Adhatoda vasica; structure given in first source | ||
1,4-benzodioxan | 1,4-benzodioxan: structure in first source | ||
carvacrol | carvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
1,3-cyclohexanedione | 1,3-cyclohexanedione: structure cyclohexane-1,3-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 3. | beta-diketone; cyclohexanedione | |
oleanolic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite | |
hematoxylin | Hematoxylin: A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink. | organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol | histological dye; plant metabolite |
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 |
dibromsalicil | dibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic | ||
1,2-naphthoquinone | 1,2-naphthoquinone : The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles. naphthalene-1,2-dione: structure given in first source | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist; carcinogenic agent |
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-methylfuran | 2-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group. | furans; volatile organic compound | flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite |
perillyl alcohol | perillyl alcohol : A limonene monoterpenoid consists of a cyclohexene ring substituted by a hydroxymethyl and a prop-1-en-2-yl group at positions 1 and 4 respectively. It is a constituent of a variety of essential oils including lavender. perillyl alcohol: inhibits geranylgeranyl transferase; structure in first source | limonene monoterpenoid | plant metabolite; volatile oil component |
decamethonium dibromide | |||
gentian violet | crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain. Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties. | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
jkl 1073a | 8-oxoberberine: structure given in first source | ||
eriodictyol | flavanones | ||
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 | |
1-acetylisatin | 1-acetylisatin: structure in first source | indoledione | |
3-hydroxyflavone | 3-hydroxyflavone: structure given in first source flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone. | flavonols; monohydroxyflavone | |
1-phenyl-1,2-propanedione | 1-phenyl-1,2-propanedione : An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee. 1-phenyl-1,2-propanedione: an oxoglutarate carrier antagonist | alpha-diketone; aromatic ketone | plant metabolite |
6-aminoquinoline | |||
1,2-Dihydroquinolin-2-imine | aminoquinoline | ||
2,3-pentanedione | pentane-2,3-dione : An alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. | alpha-diketone; methyl ketone | flavouring agent |
1-methylindole | 1-methylindole: SKATOLE refers to 3-methylindole; RN given refers to parent cpd; structure methylindole : Any member of the class of indoles carrying one or more methyl substituents. | ||
alpha-naphthoflavone | alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14). alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor |
5-methylisatin | 5-methylisatin: structure in first source | ||
2,3,4-Trihydroxybenzoic acid | hydroxybenzoic acid | ||
2,3-dichloro-1-propanol | |||
3,5-dichloroaniline | dichloroaniline | ||
Berberine chloride (TN) | organic molecular entity | ||
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 | |
phenylphosphate | phenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol. phenylphosphate: structure given in first source | aryl phosphate | mouse metabolite |
1,2-cyclohexanedione | cyclohexane-1,2-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 2. cyclohexanedione : Cyclohexanones carrying two oxo substituents. | cyclohexanedione | |
3-methoxycatechol | 3-methoxycatechol : A member of the class of catechols that is catechol in which a hydrogen that is ortho to one of the hydroxy groups has been replaced by a methoxy group. It displays agonistic activity against G protein-coupled receptor 35 (GPR35). | aromatic ether; catechols | G-protein-coupled receptor agonist |
2-aminobenzimidazole | 2-aminobenzimidazole : A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. 2-aminobenzimidazole: metabolite of benomyl; RN given refers to parent cpd | benzimidazoles | marine xenobiotic metabolite |
2'-deoxyadenosine | 2'-deoxyformycin A: RN not in Chemline 9/85; RN and structure given in first source | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
azure a | azure A : An organic chloride salt having 3-amino-7-(dimethylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining. Azure A: RN given refers to chloride | ||
ethylestrenol | ethylestrenol : A 17beta-hydroxy steroid that is estrane containing a double bond between positions 4 and 5 and substituted by an ethyl group and a hydroxy group at the 17alpha and 17beta positions, respectively. It is an anabolic steroid that has little androgenic effect and only slight progestational activity. It has been used to promote growth in boys with delayed bone growth. Ethylestrenol: An anabolic steroid with some progestational activity and little androgenic effect. | 17beta-hydroxy steroid; tertiary alcohol | anabolic agent |
chlormequat | chlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants. Chlormequat: A plant growth regulator that is commonly used on ornamental plants. | quaternary ammonium ion | plant growth retardant |
adenosine 5'-tetraphosphate | adenosine 5'-(pentahydrogen tetraphosphate) : A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase. | adenosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate | |
4,4'-dimethyl-2,2'-bipyridine | 4,4'-dimethyl-2,2'-bipyridine: structure in first source | ||
2-amino-4-phenylphenol | biphenyls | ||
ethidium bromide | organic bromide salt | geroprotector; intercalator; trypanocidal drug | |
3-hydroxyphenyltrimethylammonium | 3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure | ||
digoxigenin | digoxigenin : A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis. Digoxigenin: 3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh. | 12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol | hapten; plant metabolite |
5,5'-dimethyl-2,2'-bipyridyl | 5,5'-dimethyl-2,2'-bipyridyl: structure in first source | bipyridines | |
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 |
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 |
orange g | orange G : An organic sodium salt that is the disodium salt of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid. It is often combined with other yellow dyes in alcoholic solution to stain erythrocytes in trichrome methods, and is used for demonstrating cells in the pancreas and pituitary. | ||
5-hydroxyindole | hydroxyindoles | human metabolite | |
phenylguanidine | phenylguanidine: RN given refers to parent cpd | ||
3-phenylpropylamine | 3-phenylpropylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 3-aminopropyl group. | benzenes; phenylalkylamine; primary amino compound | |
n-methylisatin | N-methylisatin: structure given in first source | ||
pimozide | pimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group. Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403) | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
fluometuron | fluometuron : 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 3-(trifluoromethyl)phenyl group while the other is substituted by two methyl groups. It is a herbicide used for the control of broadleaf weeds and annual grasses in cotton. fluometuron: RN given refers to parent cpd; structure | (trifluoromethyl)benzenes; 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; xenobiotic |
thioflavin t | thioflavin T: RN given refers to chloride; structure thioflavine T : An organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo. | organic chloride salt | fluorochrome; geroprotector; histological dye |
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 | |
4-(octyloxy)benzoic acid | benzoic acids | ||
butyrylcholine | butyrylcholine: RN given refers to parent cpd | acylcholine | |
pontamine sky blue | |||
palmatine | burasaine: structure in first source | berberine alkaloid; organic heterotetracyclic compound | plant metabolite |
9-amino-6-chloro-2-methoxyacridine | |||
tranylcypromine | (1R,2S)-tranylcypromine : A 2-phenylcyclopropan-1-amine that is the (1R,2S)-enantiomer of tranylcypromine. tranylcypromine : A racemate comprising equal amounts of (1R,2S)- and (1S,2R)-2-phenylcyclopropan-1-amine. An irreversible monoamine oxidase inhibitor that is used as an antidepressant (INN tranylcypromine). Tranylcypromine: A propylamine formed from the cyclization of the side chain of amphetamine. This monoamine oxidase inhibitor is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in panic and phobic disorders. (From AMA Drug Evaluations Annual, 1994, p311) | 2-phenylcyclopropan-1-amine | |
piperacetazine | piperacetazine: was MH 1975-91 (see under PHENOTHIAZINE TRANQUILIZERS 1975-90) | phenothiazines | |
4-chlorophenylbiguanide | |||
dideoxyadenosine | Dideoxyadenosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is an inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal side effect is nephrotoxicity. In vivo, dideoxyadenosine is rapidly metabolized to DIDANOSINE (ddI) by enzymatic deamination; ddI is then converted to dideoxyinosine monophosphate and ultimately to dideoxyadenosine triphosphate, the putative active metabolite. | adenosines; purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor |
cladribine | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent | |
hyaluronoglucosaminidase | kinetin riboside: preferentially induces apoptosis by modulating Bcl-2 family proteins and caspase-3 in cancer cells; structure in first source | purine nucleoside | |
butyrylthiocholine | butyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity. Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity. | quaternary ammonium ion | |
imidocarb | Imidocarb: One of ANTIPROTOZOAL AGENTS used especially against BABESIA in livestock. Toxicity has been reported. | ureas | antiprotozoal drug |
vidarabine | adenine arabinoside : A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond. | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
diadenosine tetraphosphate | P(1),P(4)-bis(5'-adenosyl) tetraphosphate : A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions. | diadenosyl tetraphosphate | Escherichia coli metabolite; mouse metabolite |
benzetimide | piperidines | ||
maleic hydrazide | Maleic Hydrazide: 1,2-Dihydro-3,6-pyridazinedione. A herbicide and plant growth regulator; also used to control suckering of tobacco. Its residue in food and tobacco is highly toxic, causing CNS disturbances and liver damage. | pyridazinone | |
n-methylacridine | N-methylacridine: RN given refers to acridinium parent cpd | ||
3-deazaadenosine | 3-deazaadenosine: RN given refers to parent cpd. | ||
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 |
hydroxyzine pamoate | piperazinium salt | ||
coformycin | coformycins | EC 3.5.4.4 (adenosine deaminase) inhibitor | |
diacerein | diacerein: chelates with bivalent metals; a quinone which possesses redox properties; metabolized to active rhein; proposed mechanisms include inhibiting IL1 and metalloproteinases; called a slow acting symptomatic drug in osteoarthritis; no effect of cyclooxygenase; | anthraquinone | |
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 |
tetradecanoylphorbol acetate | phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C. Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA. | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
metergoline | metergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7. Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy. | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
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 |
phosphotyrosine | O(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group. Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis. | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
acetylacetone | acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. | beta-diketone | |
thymolphthalein | Thymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust. | terpene lactone | |
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 |
glutamic acid | glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM. | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
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 |
phorbol 12,13-dibutyrate | Phorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems. | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
thiocholine | Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain. | ||
5-Methoxyisatin | indoles | anticoronaviral agent | |
aminomebendazole | aminomebendazole: structure in first source | benzophenones | |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor | |
3,3',5,5'-tetramethylbenzidine | T1023: radioprotective NO-Synthase Inhibitor | ||
closantel | closantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections. closantel: structure N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively. | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
idarubicin | Idarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA. | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
triciribine phosphate | |||
staurosporine | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector | |
mitoxantrone hydrochloride | hydrochloride | antineoplastic agent | |
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 |
piritrexim | piritrexim: RN given refers to parent cpd; structure given in first source | ||
quinpirole | quinpirole : A pyrazoloquinoline that is (4aR,8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline substituted by a propyl group at position 5. It acts as a dopamine agonist. Quinpirole: A dopamine D2/D3 receptor agonist. | pyrazoloquinoline | dopamine agonist |
bambuterol | bambuterol : A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline. bambuterol: selective inhibitor of butyrylcholinesterase & acetylcholinesterase | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
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 |
salmeterol xinafoate | Salmeterol Xinafoate: A selective ADRENERGIC BETA-2 RECEPTOR agonist that functions as a BRONCHODILATOR when administered by inhalation. It is used to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE. | naphthoic acid | |
adefovir | adefovir : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. adefovir: inhibitor of African swine fever virus adefovir(1-) : A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
niguldipine | diarylmethane | ||
mibefradil | Mibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE. | tetralins | T-type calcium channel blocker |
topotecan hydrochloride | |||
zifrosilone | zifrosilone: an acetylcholinesterase inhibitor; being developed as a possible treatment of Alzheimer's disease; structure given in first source | ||
irinotecan | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug | |
aptiganel | aptiganel: NMDA receptor antagonist used to study the effects of stroke; structure given in first source; RN given refers to hydrochloride | naphthalenes | |
tirofiban | tirofiban : A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group. Tirofiban: Tyrosine analog and PLATELET GLYCOPROTEIN GPIIB-IIIA COMPLEX antagonist that inhibits PLATELET AGGREGATION and is used in the treatment of ACUTE CORONARY SYNDROME. | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
xemilofiban | xemilofiban: SC-54684A was administered as the hydrochloride salt; inhibits platelet glycoprotein GPIIB IIIA receptor; structure given in first source | ||
adenosine | quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
3-methyl-1,2-cyclopentanedione | 3-methyl-1,2-cyclopentanedione: a peroxynitrite scavenger isolated from coffee extract; structure in first source | cyclic ketone | |
4,5'-dimethylangelicin | furanocoumarin | ||
vanadates | vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms. Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects. | trivalent inorganic anion; vanadium oxoanion | EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
acridine orange | acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination. Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms. | aminoacridines; aromatic amine; tertiary amino compound | fluorochrome; histological dye |
chlorfenethazine | chlorfenethazine: RN given refers to parent cpd; synonym elroquil refers to HCl; structure | phenothiazines | |
paroxetine hydrochloride | paroxetine hydrochloride : The hydrochloride salt of paroxetine. It is an antidepressant drug. | hydrochloride | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
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 |
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 |
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 |
2'3'-didehydro-2'3'-dideoxyadenosine | 2'3'-didehydro-2'3'-dideoxyadenosine: structure given in first source | ||
baicalin | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug | |
plerixafor | plerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma. plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
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 |
25-hydroxycholesterol | 25-hydroxy steroid; oxysterol | human metabolite | |
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 | |
neocuproine | neocuproine : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9. neocuproine: Spectrophotometric determination of copper and ultramicro blood sugar determinations; structure; RN given refers to parent cpd | phenanthrolines | chelator; copper chelator |
proadifen hydrochloride | |||
pralidoxime iodide | organic iodide salt; pyridinium salt | cholinergic drug; cholinesterase reactivator | |
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 |
geneserine | geneserine: structure given in first source | indoles | |
rutecarpine | rutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsules | beta-carbolines | |
physostigmine heptyl | physostigmine heptyl: RN given for (3aS-cis)-isomer; structure given in first source; possible use in therapy of Alzheimer's disease | ||
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 |
trifluoperazine hydrochloride | hydrochloride | ||
2-methoxyestradiol | 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
toxoflavin | toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. toxoflavin: azapteridine antibiotic; structure | carbonyl compound; pyrimidotriazine | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor |
xanthoxyline | xanthoxyline: isolated from Sebastiania schottiana (Euphorbiaceae); structure given in first source; also present in Xanthoxylum, Rutaceae, Artemisia and other plants | carboxylic ester | |
4-fluorobenzylamine | |||
fluphenazine hydrochloride | phenothiazines | anticoronaviral agent | |
3-methyl-n,n-diethyl-p-phenylenediamine | 3-methyl-N,N-diethyl-p-phenylenediamine: RN given refers to parent cpd; structure | ||
pinocembrin | pinocembrin : A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. | (2S)-flavan-4-one; dihydroxyflavanone | antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent |
isopimpinellin | isopimpinellin: from Ruta graveolens & Heracleum lanatum; structure | psoralens | |
isoimperatorin | isoimperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. isoimperatorin: tumor necrosis factor antagonist isolated from Glehniae root | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
5-hydroxyflavone | flavones | ||
alpha-furil | alpha-furil: structure in first source | ||
3,4-dimethoxytoluene | 3,4-dimethoxytoluene: structure given in first source | ||
2,3-trimethylene-4-quinazolone | 2,3-trimethylene-4-quinazolone: structure in first source | quinazolines | |
2,6-dimethoxy-1,4-benzoquinone | 2,6-dimethoxy-1,4-benzoquinone: structure given in first source | ||
azure b | azure B : An organic chloride salt having 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining and is an active metabolite of methylene blue. Azure B: RN given refers to chloride | ||
nebularine | nebularine : A purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. nebularine: structure | purine ribonucleoside; purines D-ribonucleoside | fungal metabolite |
mianserin hydrochloride | mianserin hydrochloride : The hydrochloride salt of mianserin, a tetracyclic compound with antidepressant effects. | hydrochloride | geroprotector |
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. | ||
4-methoxyestradiol | 4-methoxy-17beta-estradiol : A 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 4 has been replaced by a methoxy group. 4-methoxyestradiol: RN given refers to (17beta)-isomer | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols | estrogen; human metabolite; rat metabolite |
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. | ||
sanguinarine chloride | |||
pirlindole | pirlindole: RN given refers to parent cpd; synonym pyrazidol refers to mono-HCl; structure in Negwer, 5th ed, #2812 | carbazoles | |
epiroprim | epiroprim: an analog of trimethoprim with improved antimicrobial and pharmacokinetic properties; structure given in first source | ||
4-benzoylbenzoic acid | 4-carboxybenzophenone: a photosensitizer agent | ||
malvidin chloride | |||
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 |
adrenoglomerulotropin | adrenoglomerulotropin: aldosterone stimulating hormone found in extracts of pineal gland; structure | ||
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 |
aceclofenac | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
fluphenacur | fluphenacur: RN given refers to parent cpd | aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound | |
sr 95191 | SR 95191: structure given in first source | ||
timoprazole | timoprazole: gastric acid secretion inhibitor | ||
ubenimex | ubenimex: growth inhibitor | ||
2-aminoadenosine | purine nucleoside | ||
3-octadecanamido-2-ethoxypropylphosphocholine | 3-octadecanamido-2-ethoxypropylphosphocholine: anti-HIV agent; RN & structure given in first source | ||
hesperetin | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite | |
chelerythrine chloride | |||
lycorine | lycorine : An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity. lycorine: from bulbs of LYCORIS & other plants; RN given refers to (1 alpha,2 beta)-isomer; structure in Merck Index, 9th ed, #5444 | indolizidine alkaloid | anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor |
nonoxynol-9 | tergitol NP-9 : A tergitol polymer consisting of nonylbenzene with a nine-membered poly(ethylene glycol) moiety attached at position 4. | tergitol | contraceptive drug; nonionic surfactant |
picropodophyllin | picropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
sori 8895 | SoRI 8895: RN in first source | ||
5-methyl-1,10-phenanthroline | |||
1,10-phenanthroline-5,6-dione | 1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source | ||
rebeccamycin | rebeccamycin : An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens. rebeccamycin: from actinomycete strain C-38,383; structure given in first source | indolocarbazole; N-glycosyl compound; organic heterohexacyclic compound; organochlorine compound | |
1,2,3,6-tetragalloylglucose | 1,2,3,6-tetragalloylglucose: structure given in first source 1,2,3,6-tetrakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. | gallate ester; galloyl beta-D-glucose | |
nodakenin | nodakenin: RN given for (R)-isomer; has anti-inflammatory properties | furanocoumarin | |
pinobanksin | pinobanksin : A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. pinobanksin: a flavonoid from propolis; RN refers to (2R-trans)-isomer | secondary alpha-hydroxy ketone; trihydroxyflavanone | antimutagen; antioxidant; metabolite |
2-chloranil | |||
2,6-dimethylphenylphthalimide | 2,6-dimethylphenylphthalimide: enhances alpha-tumor necrosis factor production; structure in first source | ||
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride | 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride. | hydrochloride | EC 2.7.11.13 (protein kinase C) inhibitor |
homoeriodictyol | homoeriodictyol : A trihydroxyflavanone that consists of 3'-methoxyflavanone in which the three hydroxy substituents are located at positions 4', 5, and 7. homoeriodictyol: structure in first source | 3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | flavouring agent; metabolite |
maslinic acid | (2Alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid: from Luehea divaricata and Agrimonia eupatoria | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
pramoxine hydrochloride | aromatic ether | ||
2-amino-1-methylbenzimidazole | 2-amino-1-methylbenzimidazole: structure in first source | benzimidazoles | |
3,4,7,8-tetramethyl-1,10-phenanthroline | |||
2,5-di-tert-butyl-4-hydroxyanisole | 2,5-di-tert-butyl-4-hydroxyanisole: structure given in first source | methoxybenzenes; phenols | |
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 | |
2,3-bis(benzoyloxy)tartaric acid | 2,3-bis(benzoyloxy)tartaric acid: SNC-86 refers to (-)dibenzoyl-L-tartaric acid salt | ||
3,5-di-tert-butyl-1,2-benzoquinone | |||
benzoyltyrosine ethyl ester | ethyl N-benzoyl-L-tyrosinate : An L-tyrosine derivative that is the ethyl ester of N-benzoyltyrosine. | benzamides; ethyl ester; L-tyrosine derivative; phenols | chromogenic compound |
4'-methoxyflavone | 4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first source | ether; flavonoids | |
rivastigmine | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent | |
lotrafiban | |||
1,8-diazabicyclo(5.4.0)undec-7-ene | |||
beta-naphthyl phosphate | 2-naphthyl dihydrogen phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 2-naphthol. It is a substrate for phosphatase. beta-naphthyl phosphate: substrate for bovine kidney acid phosphatase | aryl phosphate | chromogenic compound |
4-phenylbutylamine | 4-phenylbutylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group. 4-phenylbutylamine: used as a drug partition into lipid bilayers in a cubic liquid-crystalline phase | benzenes; phenylalkylamine; primary amino compound | |
eriocitrin | eriocitrin : A disaccharide derivative that consists of eriodictyol substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. eriocitrin: structure in first source | 3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone | antioxidant |
fentanyl isothiocyanate | fentanyl isothiocyanate: specific reagent for irreversible inactivation of delta opiate receptors in rat brain membranes; structure given in first source | piperidines | |
hexyltrimethylammonium | hexyltrimethylammonium: RN given refers to parent cpd | ||
5-Chloro-1H-indole-2,3-dione | indoles | anticoronaviral agent | |
5-iodoisatin | 5-iodoisatin: structure in first source | indoles | anticoronaviral agent |
2,2-dimethoxy-2-phenylacetophenone | |||
trimethyl(4-oxopentyl)ammonium | N,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl. trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag | quaternary ammonium ion | |
matrine | alkaloid | ||
mephentermine | sphinganine : A 2-aminooctadecane-1,3-diol having (2S,3R)-configuration. | 2-aminooctadecane-1,3-diol | EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite |
prochlorperazine edisylate salt | |||
sarsasapogenin | sapogenin | ||
n(6)-benzyladenosine | N(6)-benzyladenosine: RN given refers to parent cpd | ||
tarenflurbil | tarenflurbil: R-enantiomer of flurbiprofen but not a COX inhibitor; modulates NF-kB, gamma-secretase, amyloid beta-protein; | flurbiprofen | |
dehydropregnenolone acetate | dehydropregnenolone acetate: structure | steroid ester | |
3 beta-hydroxy-delta 5-cholenic acid | steroid | ||
digoxigenin-bis(digitoxoside) | cardenolide glycoside | ||
methyl beta-galactoside | methyl beta-D-galactoside : A beta-D-galactopyranoside having a methyl substituent at the anomeric position. methyl beta-galactoside: RN given refers to (beta-D)-isomer methyl galactoside : A methyl glycoside in which the H of the OH group on C-1 of galactose is replaced by a methyl group. | beta-D-galactoside; methyl D-galactoside; monosaccharide derivative | |
coumarin 7 | coumarin 7: structure in first source | ||
5-Methoxyflavone | 5-methoxyflavone: DNA polymerase-beta inhibitor and neuroprotective agent against beta-amyloid toxicity; structure in first source | ether; flavonoids | |
2,6-diamino-9-(2-hydroxyethoxymethyl)purine | 2,6-diamino-9-(2-hydroxyethoxymethyl)purine: adenosine deaminase converts above cpd to acylovir | ||
diprotin a | peptide | ||
efuamide | efuamide: same cpd is obtained from residue of ignited APC tablets; structure given in first source | ||
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 | |
anisoin | |||
hydrobenzoin | hydrobenzoin: structure in first source | ethanediol | |
8-azaadenosine | N-glycosyl compound | ||
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one | 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively. | pentahydroxyflavone | |
8-aminoadenosine | |||
eupatorin | eupatorin : A trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4', 6 and 7 have been replaced by methyl groups. eupatorin: a flavonoid from the East Asian medicinal plant Orthosiphon spicatus; prevents oxidative inactivation of 15-lipoxygenase; structure given in first source | dihydroxyflavone; polyphenol; trimethoxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent |
s-(4-bromobenzyl)glutathione | S-(4-bromobenzyl)glutathione: inhibits glyoxalase I; cleaved in extracellular medium by gamma-glutamyl transferase | ||
phellopterin | phellopterin: a naturally occurring furanocoumarin found in roots of Angelica dahurica; structure in first source | psoralens | |
zpck | ZPCK: alkylates histidine residue at active center of bovine chymotrypsin | ||
4-methoxydalbergione | 4-methoxydalbergione: causes dermititis; RN given refers to cpd without isomeric designation | ||
malabaricone c | malabaricone C: from maize (Myristica fragrans); structure given in first source | butanone | metabolite |
karanjin | karanjin: structure given in first source | extended flavonoid | |
7-amino-4-trifluoromethylcoumarin | coumarin 151: structure in first source | 7-aminocoumarins | fluorochrome |
benzyl selenocyanate | benzyl selenocyanate: prevents colon carcinogenesis | ||
methyl mannoside, (alpha-d)-isomer | methyl alpha-D-mannoside : A methyl mannoside having alpha-configuration at the anomeric centre. methylmannoside: RN given refers to (D)-isomer; see also record for 3-O-methylmannose | alpha-D-mannoside; methyl mannoside | |
alexidine dihydrchloride | |||
arginyl-glycyl-aspartic acid | arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system | oligopeptide | |
rimonabant | |||
sr141716 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist | |
propidium iodide | organic iodide salt | ||
indolactam v | indolactam V: only the (-)-isomer of indolactam V showed carcinogenic activity; structure given in first source | indoles | |
paxilline | paxilline : An indole diterpene alkaloid with formula C27H33NO4 isolated from Penicillium paxilli. It is a potent inhibitor of large conductance Ca2(+)- and voltage-activated K(+) (BK)-type channels. paxilline: structure given in first source; RN given refers to (2R-(2alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta))-isomer | diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol | anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker |
tuamine sulfate | |||
inositol-1,3,4,5-tetrakisphosphate | 1D-myo-inositol 1,3,4,5-tetrakisphosphate : A myo-inositol tetrakisphosphate having the four phosphates placed in the 1-, 3-, 4- and 5-positions. inositol-1,3,4,5-tetrakisphosphate: for cpd without numerical locants of phosphate groups, index INOSITOL PHOSPHATES | inositol phosphate | |
methoctramine | methoctramine : A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents. methoctramine tetrahydrochloride : A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid. methoctramine: structure given in first source | hydrochloride | muscarinic antagonist |
arginyl-glycyl-aspartyl-serine | arginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets | ||
gr 127935 | GR 127935 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration. GR 127935: a 5-HT 1D receptor antagonist | 1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine | |
deguelin | deguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source | aromatic ether; diether; organic heteropentacyclic compound; rotenones | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite |
fingolimod hydrochloride | fingolimod hydrochloride : The hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod). Fingolimod Hydrochloride: A sphingosine-derivative and IMMUNOSUPPRESSIVE AGENT that blocks the migration and homing of LYMPHOCYTES to the CENTRAL NERVOUS SYSTEM through its action on SPHINGOSINE 1-PHOSPHATE RECEPTORS. It is used in the treatment of MULTIPLE SCLEROSIS. | hydrochloride | immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
fingolimod | fingolimod : An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate. | aminodiol; primary amino compound | antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
daidzin | daidzein 7-O-beta-D-glucoside : A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic). daidzin: a potent, selective, and reversible inhibitor of human mitochondrial aldehyde dehydrogenase | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | plant metabolite |
territrem b | territrem B: tremorgenic mycotoxin from Aspergillus terreus; RN given refers to (4aR-(4aalpha,6abeta,12aalpha,12bbeta))-isomer | ||
3',4'-dichlorobenzamil | 3',4'-dichlorobenzamil: inhibits Na-Ca exchange in membrane vesicle & papillary muscle preparations from guinea pig heart | guanidines; pyrazines | |
tephrosin | tephrosin : A member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a and methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities. tephrosin: RN given for (7aR-cis)-isomer; has insecticidal activity; structure in first source | aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; pesticide |
tanshinone | tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | abietane diterpenoid | anticoronaviral agent |
glycolithocholic acid | glycolithocholic acid : The glycine conjugate of lithocholic acid. glycolithocholic acid: RN given refers to (3alpha,5beta)-isomer | bile acid glycine conjugate; N-acylglycine | |
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 |
7-methoxytacrine | |||
thiodigalactoside | thiodigalactoside: RN given refers to beta-D-galactopyranoside (D-Gal)-isomer | ||
2-((2-dimethylaminobenzyl)sulfinyl)benzimidazole | 2-((2-dimethylaminobenzyl)sulfinyl)benzimidazole: structure given in first source | ||
eseroline | eseroline : A pyrroloindole that is 1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole substituted by methyl groups at positions 1, 3a and 8 and a hydroxy group at position 5. It is a metabolite of physostigmine and causes neuronal cell death by a mechanism involving loss of cell ATP. eseroline: RN given refers to (3aS-cis)-isomer; structure | phenols; pyrroloindole | human xenobiotic metabolite; opioid analgesic |
3-phenyl-1H-pyrazole-5-carboxylic acid | pyrazoles; ring assembly | ||
razadyne | Razadyne: Name of the FDA approved preparation from J&J. | ||
formylmethionyl-leucyl-phenylalanine methyl ester | peptide | ||
a 68930 | A 68930: D-1 dopamine receptor agonist | 2-benzopyran | |
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 |
aromadedrin | (+)-dihydrokaempferol : A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions. aromadedrin: inhibits protein kinase C; the dihydro makes it a flavone rather than a flavonol | 4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone | metabolite |
1,3-indandione | 1,2-indanedione: use for detection of latent fingerprints on porous surfaces; structure in first source | ||
gefitinib | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist | |
glycyl-arginyl-glycyl-aspartyl-serine | glycyl-arginyl-glycyl-aspartyl-serine: synthetic peptide from fibronectins; inhibits experimental metastasis of murine melanoma cells | ||
4-amino-n-(2,6-dimethylphenyl)phthalimide | 4-amino-N-(2,6-dimethylphenyl)phthalimide: a potent anticonvulsant against maximal electroshock-induced seizures; structure given in first source | ||
glabranin | glabranin : A dihydroxyflavanone that is pinocembrin substituted by a prenyl group at position 8. | (2S)-flavan-4-one; dihydroxyflavanone | plant metabolite |
dihydrosanguinarine | benzophenanthridine alkaloid | antifungal agent; metabolite | |
demethoxyviridin | demethoxyviridin: blocks phospholipase C & D activation in human neutrophils; RN from Toxlit | ||
6-methoxypurine arabinoside | |||
n-carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amide | N-carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amide: fluorogenic substrate for post-proline cleaving enzyme | ||
indatraline | indatraline: RN given for (trans)-isomer; structure in first source | indanes | |
lestaurtinib | indolocarbazole | ||
sb 200646 | N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea: structure given in first source; a selective 5-HT(1C) receptor antagonist; SB-200646 is the HCl salt | indoles | |
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 | |
ro 32-0432 | |||
2-(3,4-dichlorophenyl)-n-methyl-n-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide | 2-(3,4-dichlorophenyl)-N-methyl-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide: structure in first source; kappa opioid receptor antagonist | ||
cki 7 | N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide : A member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I. N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide: casein kinase I inhibitor; structure given in first source | isoquinolines; organochlorine compound; primary amino compound; sulfonamide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
(hydroxy-2-naphthalenylmethyl)phosphonic acid | (hydroxy-2-naphthalenylmethyl)phosphonic acid: a protein-tyrosine kinase inhibitor; structure given in first source | ||
n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide | |||
glycyl- arginyl-glycyl-aspartyl-seryl-prolyl-lysine | |||
gamma-carboline | gamma-carboline: RN given refers to parent cpd; structure given in first source | pyridoindole | |
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 |
quilostigmine | quilostigmine: RN given for (3aS,cis)-isomer; structure in first source | pyrroloindole | |
ilomastat | CS 610: matrix metalloproteinase inhibitor; structure in first source ilomastat : An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor | hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid | anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent |
d-arg-gly-asp-trp | arginyl-glycyl-aspartyl-tryptophan: a synthetic RGD-containing peptide | ||
fk 633 | ((4-(4-amidinophenoxy)butanoyl)aspartyl)valine: structure given in first source | ||
l 733060 | 3-((3,5-bis(trifluoromethyl)phenyl)methyloxy)-2-phenylpiperidine: RN given refers to (2S-cis)-isomer; L-733,061 is pharmacologically inactive; structure in first source | piperidines | |
2-bromohippuric acid | |||
16-fluoro-5-androsten-17-one | 16-fluoro-5-androsten-17-one: RN given refers to the (16alpha)-isomer; RN for cpd without isomeric designation not available 2/91; has antiproliferative effects on HIV-1 and reduces HIV-1 replication | ||
cd 437 | CD 437: selective for retinoic acid receptors gamma CD437 : A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells. | adamantanes; monocarboxylic acid; naphthoic acid; phenols | apoptosis inducer; retinoic acid receptor gamma agonist |
harmalol hydrochloride | |||
selenomethylselenocysteine | Se-methyl-L-selenocysteine : An L-alpha-amino acid compound having methylselanylmethyl as the side-chain. Se-methylselenocysteine : An alpha-amino acid compound having methylselanylmethyl as the side-chain. | amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine | antineoplastic agent |
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 |
perifosine | ammonium betaine; phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
1,2-dioctanoylglycerol | 1,2-dioctanoyl-sn-glycerol : 1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. Formula C19H36O5. | 1,2-diacyl-sn-glycerol; dioctanoylglycerol | |
9-(2-hydroxy-3-nonyl)adenine | (2R,3S)-EHNA : EHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase. | EHNA | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor |
9-(2-hydroxy-3-nonyl)adenine | (2S,3R)-EHNA : EHNA of absolute configuration 2S,3R. | EHNA | |
ptk 787 | vatalanib succinate : A succinate salt obtained by combining vatalanib with one molar equivalent of succinic acid. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. | succinate salt | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
vatalanib | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist | |
5-hydroxy-3',4',6,7-tetramethoxyflavone | 5-hydroxy-3',4',6,7-tetramethoxyflavone: isolated from Artemisia argyi | ||
rostafuroxin | rostafuroxin: structure in first source | ||
l 738167 | L 738167: structure in first source | ||
ruboxistaurin | ruboxistaurin: inhibits protein kinase C beta; structure in first source | ||
solifenacin | isoquinolines | ||
canertinib | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
birb 796 | aromatic ether; morpholines; naphthalenes; pyrazoles; ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator | |
barbigerone | barbigerone: an antioxidant; structure in first source | ||
7-octylindolactam v | 7-octylindolactam V: only (-)-isomer has carcinogenic activity | ||
sulfoquinovosyl dipalmitoyl glyceride | sulfoquinovosyl dipalmitoyl glyceride: P-selectin receptor inhibitor; isolated from the alga Dictyochloris fragrans; structure in first source | ||
1-deazaadenosine | 1-deazaadenosine: inhibits nucleic acid & protein synthesis; structure given in first source | ||
miltirone | miltirone: from Salvis miltiorrhiza Bunge; central benzodiazepine receptor ligand; structure given in first source | abietane diterpenoid | |
cirsiliol | cirsiliol : A dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5, 3' and 4' respectively. cirsiliol: potent inhibitor of arachidonate lipooxygenase | dimethoxyflavone; trihydroxyflavone | plant metabolite |
cryptotanshinone | cryptotanshinone: from Salvia miltiorrhiza | abietane diterpenoid | anticoronaviral agent |
territrem c | territrem C: tremorgenic mycotoxin from Aspergillus terreus; MF C28-H32-O9; structure given in first source | ||
cyc 202 | seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
n-phthaloylglutamic acid | N-phthaloyl-L-glutamic acid : A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group. | L-glutamic acid derivative; phthalimides | |
isosakuranetin | 4'-methoxy-5,7-dihydroxyflavanone : A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4' (the 2S stereoisomer). isosakuranetin: structure in first source | (2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone | plant metabolite |
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 |
chrysamine g | chrysamine G: structure given in first source; RN refers to disodium salt | ||
asimilobine | asimilobine: from Nelumbro nucifera; RN given refers to (R)-isomer | aporphine alkaloid | metabolite |
ampelopsin | (+)-dihydromyricetin : An optically active form of dihydromyricetin having (2R,3R)-configuration. ampelopsin: hepatoprotective agent; isolated from Hovenia dulcis; RN given for (2R-trans)-isomer; structure in first source | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
malabaricone b | malabaricone B: from maize (Myristica fragrans); structure given in first source | ||
sk&f 107260 | SK&F 107260: structure given in first source | ||
thymidine 5'-diphosphate | dTDP : A thymidine phosphate having a diphosphate group at the 5'-position. thymidine 5'-diphosphate: see also record for thymidine 3',5'-diphosphate, RN 2863-04-9 | pyrimidine 2'-deoxyribonucleoside 5'-diphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
tanshinone ii a | tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source | abietane diterpenoid | |
chonemorphine | chonemorphine: a steroidal alkaloid; antiparasitic agent from Chonemorpha fragrans | ||
n-valyltryptophan | N-valyltryptophan: RN given refers to (L)-isomer | peptide | |
magnolin | magnolin: from flower buds of Magnolia biondii | ||
n-demethyllysergic acid diethylamide | N-demethyllysergic acid diethylamide: RN given refers to (betaa)-isomer | ||
n,n-di-n-propylserotonin | N,N-di-n-propylserotonin: structure given in first source | ||
abt 980 | |||
gr 144053 | GR 144053: structure given in first source | piperazines | |
sb 203580 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent | |
sb 216763 | indoles; maleimides | ||
enzastaurin | indoles; maleimides | ||
sch 58261 | triazolopyrimidines | ||
erlotinib | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor | |
cilengitide | Cilengitide: an alphaVbeta3 integrin antagonist that paralyzes cancer cells | oligopeptide | |
roxifiban | roxifiban: structure in first source | ||
xv 459 | XV 459: structure in first source | ||
l 767679 | L 767679: structure in first source | ||
l 734217 | L 734217: fibrinogen receptor antagonist; structure given in first source | ||
jtp 4819 | JTP 4819: a prolyl endopeptidase inhibitor; structure given in first source | ||
orbofiban | orbofiban: structure in first source | ||
cucurbitacin r | 23,24-dihydrocucurbitacin D : A 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at position 5. cucurbitacin R: from Cayaponia tayuya roots; structure in first source | 23,24-dihydrocucurbitacin; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | |
chrysene-1,4-dione | phenanthrenes | ||
4',6-dihydroxyflavone | 4',6-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 4' and 6. | dihydroxyflavone | |
rs 67333 | RS 67333: 5-HT(4) receptor agonist; structure in first source | aromatic ketone | |
tak 779 | |||
melagatran | azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor | |
fixb protein, e coli | alpha-D-mannose : D-Mannopyranose having alpha-configuration at the anomeric centre. alpha-D-mannoside : Any mannoside in which the anomeric centre has alpha-configuration. muscarinic toxin 2: muscarinic agonists from Dendroaspis angusticeps; amino acid sequence given in first source | D-mannopyranose | epitope |
aflatoxin b1 | aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1. | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
phenserine | phenserine: a carbamate analog of physostigmine; a long-acting inhibitor of cholinesterase | ||
latrepirdine | latrepirdine: structure | methylpyridines; pyridoindole | geroprotector |
benfluorex hydrochloride | |||
zanapezil | piperidines | ||
1-(1-phenylcyclopentyl)methylamine | cyclopentanes; primary aliphatic amine | ||
tv3326 | indanes | ||
lapatinib | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
1H-indol-3-yl-(4-methoxyphenyl)methanone | N-acylindole | ||
taspine | taspine: RN given refers to parent cpd; structure | ||
elarofiban | elarofiban: a GPIIb and GPIIIa receptor antagonist; structure in first source | ||
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 | |
succinobucol | succinobucol: monosuccinic acid ester of probucol; a metabolically stable modification of probucol, an equipotent antioxidant to probucol but is pharmacologically distinct | benzoate ester; phenols | |
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide | indisulam : A chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development. N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide: structure in first source | chloroindole; organochlorine compound; sulfonamide | antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
lilial | |||
ml 204 | ML 204: modulates both TRPC4 and TRPC5 channels; structure in first source | ||
2-(4-aminophenyl)benzothiazole | 2-(4-aminophenyl)benzothiazole: an agent with selective profile of in vitro anti-tumour activity; structure in first source | ||
5-Fluoroisatin | indoles | anticoronaviral agent | |
nsc-89199 | estramustine phosphate : A steroid phosphate which is the 17-O-phospho derivative of estramustine. | carbamate ester; organochlorine compound; steroid phosphate | |
nsc 95397 | 1,4-naphthoquinones | ||
berbamine | bisbenzylisoquinoline alkaloid; isoquinolines | ||
papaverinol | papaverinol: degradation product of papaverine | ||
N-butyl-1H-benzimidazol-2-amine | benzimidazoles | ||
3,6-bis(2-pyridyl)-1,2,4,5-tetrazine | 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine: structure in first source | ||
malabaricone a | malabaricone A: from Myristica malabarica (rampatri), has antipromastigote activity; structure in first source | ||
4-amino-N-(4-methoxyphenyl)-2-(methylthio)-5-thiazolecarboxamide | aromatic amide | ||
marmesin | marmesin: RN given refers to (S)-isomer; nodakenetin is the (R)-isomer | marmesin | |
5-demethylnobiletin | 5-demethylnobiletin: antineoplastic from Citrus plants; structure in first source | ether; flavonoids | |
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 | ||
aromoline | aromoline: from roots of Stephania cepharantha; structure given in first source | ||
demethyleneberberine | demethyleneberberine: structure in first source | ||
nsc 663284 | NSC 663284: structure in first source | quinolone | |
nsc668394 | |||
nsc681152 | |||
mequindox | Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source | ||
3-(1-dimethylaminoethyl)phenol | 3-(1-dimethylaminoethyl)phenol: a rivastigmine metabolite; structure in first source | ||
naringenin | (S)-naringenin : The (S)-enantiomer of naringenin. | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
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 |
taxifolin | (+)-taxifolin : A taxifolin that has (2R,3R)-configuration. | taxifolin | 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 |
pentostatin | pentostatin : A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia. Pentostatin: A potent inhibitor of ADENOSINE DEAMINASE. The drug induces APOPTOSIS of LYMPHOCYTES, and is used in the treatment of many lymphoproliferative malignancies, particularly HAIRY CELL LEUKEMIA. It is also synergistic with some other antineoplastic agents and has immunosuppressive activity. | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
eriodictyol | eriodictyol : A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively. eriodictyol: structure | 3'-hydroxyflavanones; tetrahydroxyflavanone | |
obamegine | obamegine: RN given refers to cpd without isomeric designation | bisbenzylisoquinoline alkaloid; isoquinolines | |
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 |
terconazole | (2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively. terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida). terconazole: structure & RN for (cis)-isomer from first source | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
hemanthamine | alkaloid | ||
cyanidin 3-o-beta-d-glucopyranoside | cyanidin 3-O-beta-D-glucoside : An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3. | anthocyanin cation; beta-D-glucoside; monosaccharide derivative | metabolite |
physovenine | physovenine: structure given in first source | indoles | |
decursin | decursin: activates protein kinase C; isolated from the root of Angelica gigas; RN given for (S)-isomer; structure in first source | coumarins | |
decursinol | decursinol : An organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). | cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol | analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
hematoxylin | haematoxylin : An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology. | haematoxylin | |
Girgensonine | nitrile | ||
ononin | 4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; monosaccharide derivative | plant metabolite | |
3-deoxyvasicine | 3-deoxyvasicine: RN given refers to parent cpd | quinazolines | |
cyclopamine | piperidines | glioma-associated oncogene inhibitor | |
yangambin | lignan | ||
N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide | anilide | ||
n-formylmethionine leucyl-phenylalanine | N-formyl-L-methionyl-L-leucyl-L-phenylalanine : A tripeptide composed of L-Met, L-Leu and L-Phe in a linear sequence with a formyl group at the amino terminus. It acts as a potent inducer of leucocyte chemotaxis and macrophage activator as well as a ligand for the FPR receptor. N-Formylmethionine Leucyl-Phenylalanine: A formylated tripeptide originally isolated from bacterial filtrates that is positively chemotactic to polymorphonuclear leucocytes, and causes them to release lysosomal enzymes and become metabolically activated. | tripeptide | |
sb 228357 | SB 228357: a neuroleptic with equivalent or higher antagonist affinity for 5-HT2 than for dopamine D2 receptor | indolyl carboxylic acid | |
1-O-Acetyllycorine | 1-acetyllycorine: has antiviral activity; structure in first source | alkaloid | |
floxacillin | obliquine: obliquine is the (3S,4aS,11S,10bS)-isomer; isolated from Cyrtanthus obliquus; structure in first source; do not confuse with obliquin | isoquinolines | |
pseudolycorine | pseudolycorine: alkaloid isolated from Narcissus tazetta var. chinensis Roem, N. papyraceus or Lycoris radiata Herb; structure in first source | phenanthridines | |
sanguinine | sanguinine: from Amaryllidaceae; structure in first source | benzazepine | |
lycoramine | lycoramine: structure in first source | benzazepine | |
maleic acid | maleic acid : A butenedioic acid in which the double bond has cis- (Z)-configuration. maleic acid: RN given refers to parent cpd(Z)-isomer which is maleic acid; all RR's given refer to (Z)-isomer; (E)-isomer is fumaric acid | butenedioic acid | algal metabolite; mouse metabolite; plant 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 |
2-(oxaloamino)benzoic acid | (oxaloamino)benzoic acid | ||
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 |
arachidonic acid | arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid. icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14. | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
resveratrol | trans-resveratrol : A resveratrol in which the double bond has E configuration. | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
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 |
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 |
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 |
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 |
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 |
formycin | formycin | antineoplastic agent | |
valine-pyrrolidide | valine-pyrrolidide: structure given in first source | ||
pd 166326 | PD 166326: a pyrido(2,3-d)pyrimidine src tyrosine kinase inhibitor | ||
hts 466284 | HTS 466284: a TGFbeta-RI inhibitor; structure in first source | pyrazoles; pyridines; quinolines | TGFbeta receptor antagonist |
n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea | N-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea: structure in first source | ||
y 27632 | Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. | aromatic amide | |
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 |
eptifibatide | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor | |
7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine | |||
6-bromoindirubin-3'-oxime | 6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. 6-bromoindirubin-3'-oxime: structure in first source | ||
purvalanol b | purvalanol B: protein kinase inhibitor; structure in first source | purvalanol | protein kinase inhibitor |
h 89 | (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration. N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor. | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
12-deoxyphorbol 13-acetate | phorbol ester | metabolite | |
ketoconazole | (2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration. | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
purvalanol a | 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer; | purvalanol | |
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 |
isotetrandrine | |||
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
pd 146626 | kb-NB165-09: inhibitor of protein kinase D; structure in first source | ||
1-deaza-2-chloro-n(6)-cyclopentyladenosine | 1-deaza-2-chloro-N(6)-cyclopentyladenosine: adenosine A(1) receptor agonist | ||
prinomastat | prinomastat : A hydroxamic acid that is (3S)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide in which the hydrogen attached to the thiomorpholine nitrogen has been replaced by a [4-(pyridin-4-yloxy)phenyl]sulfonyl group. It is a selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14. prinomastat: a diazepine-based hydroxamic acid inhibitor; matrix metalloproteinase (MMP) inhibitor; angiogenesis inhibitor; | aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor |
ganoderiol f | ganoderiol F: a ganoderma triterpene from Ganoderma amboinense; structure in first source | triterpenoid | |
licoricidin | licoricidin : A member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2' and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 3'. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. licoricidin: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source | aromatic ether; hydroxyisoflavans; methoxyisoflavan | antibacterial agent; plant metabolite |
moronic acid | moronic acid : A pentacyclic triterpenoid that is olean-18-ene substituted at position 3 by an oxo group and position 28 by a carboxy group. moronic acid: from root bark extract of Ozoroa mucronata; RN & N1 from 9th CI | pentacyclic triterpenoid | anti-HIV agent; anti-HSV-1 agent; metabolite |
morolic acid | morolic acid: from Pistacia terebinthus galls; structure in first source | ||
bx 471 | BX 471: a CC chemokine receptor-1 antagonist; structure in first source | ||
isoxanthohumol | isoxanthohumol: structure in first source | flavanones | |
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 |
2-furancarboxylic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester | 2-furoate ester; pyranopyrazole | ||
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first source | aromatic ether | |
LSM-42773 | aromatic ketone | ||
2-(2-phenoxyethylsulfonyl)-1H-benzimidazole | benzimidazoles; sulfoxide | ||
2-[[(6-bromo-1H-benzimidazol-2-yl)thio]methyl]-1-methylbenzimidazole | benzimidazoles | ||
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 |
1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile | naphthyridine derivative | ||
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine | aryl sulfide | ||
3-coumaric acid | 3-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring. 3-coumaric acid: RN given refers to cpd without isomeric designation in Chemline trans-3-coumaric acid : A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3. | 3-coumaric acid | |
chalcone | trans-chalcone : The trans-isomer of chalcone. | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
teucrol | teucrol: from Teucrium pilosum; structure in first source | ||
piplartine | piplartine: Antineoplastic Agent, Phytogenic; alkaloid from Piper; structure in first source | cinnamamides; dicarboximide | |
7-methoxyisoflavone | 7-methoxyisoflavone : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7. | 7-methoxyisoflavones | |
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 |
isoliquiritigenin | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist | |
propolin c | nymphaeol A : A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity. propolin C: a PAK1 inhibitor; from Taiwanese propolis; structure in first source | 4'-hydroxyflavanones; tetrahydroxyflavanone | metabolite; radical scavenger |
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 |
cannabidiol | cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. Cannabidiol: Compound isolated from Cannabis sativa extract. | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
gw9662 | 2-chloro-5-nitrobenzanilide: pretreatment of peroxisome proliferator activated receptors with GW9662 results in the irreversible loss of ligand binding | benzamides | |
s 1033 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor | |
N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide | anilide | ||
3-[[2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamide | organonitrogen compound; organooxygen compound | ||
3-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-1H-quinolin-2-one | quinolines | ||
3-[[1,3-benzodioxol-5-ylmethyl-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one | quinolines | ||
1-(2-furanyl)-N-[[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]methyl]-N-(thiophen-2-ylmethyl)methanamine | sulfonic acid derivative | ||
LSM-19079 | benzimidazoles | ||
3-amino-N-cyclopentyl-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarboxamide | thienopyridine | ||
2-[[4-(3-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid | triazoles | ||
N-(3H-benzimidazol-5-yl)-2-furancarboxamide | benzimidazoles | ||
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone | piperazines | ||
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]acetic acid methyl ester | benzimidazoles | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide | tetrazoles | ||
2-[[2-[[4-(2-furanylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide | aromatic amide; thiophenes | ||
2-(6-cyano-1-indolyl)-N-cyclohexylacetamide | indoles | ||
3-chloro-1-cyclohexyl-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dione | maleimides; piperazines | ||
6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline | quinolines | ||
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-1-isoquinolinecarboxamide | aromatic amide; furans | ||
6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | methoxybenzenes; pyranopyrazole | ||
3-amino-5-methoxy-2-benzofurancarboxylic acid methyl ester | benzofurans | ||
7,8-dimethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-phenyl-3H-1,5-benzodiazepin-2-one | benzodiazepine | ||
4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-cyclohexyl-2-furancarboxamide | organonitrogen compound; organooxygen compound | ||
5-(diethylsulfamoyl)-3-hydroxy-2-naphthalenecarboxylic acid | naphthalenes; sulfonic acid derivative | ||
N-[4-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetamide | piperazines | ||
N,N-dimethyl-6-phenyl-3-pyridazinamine | pyridazines; ring assembly | ||
3-[[1,3-benzodioxol-5-ylmethyl-[(1-cyclopentyl-5-tetrazolyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one | quinolines | ||
1-(1-adamantyl)-3-[8-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea | tropane alkaloid | ||
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)acetamide | sulfonamide | ||
1-(4-chlorophenyl)sulfonyl-N-[3-methoxy-4-(1-tetrazolyl)phenyl]-4-piperidinecarboxamide | tetrazoles | ||
2-[(5-amino-1-phenacyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide | aromatic ketone | ||
3-[[[1-[1-(2-furanylmethyl)-5-tetrazolyl]-2-methylpropyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one | quinolines | ||
N-(3-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide | sulfonamide | ||
N-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide | sulfonamide | ||
4-[4-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]-(3-pyridinyl)methyl]-1-piperazinyl]phenol | piperazines | ||
8-[(1-cyclohexyl-5-tetrazolyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol | azabicycloalkane | ||
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone | cycloheptafuran | ||
N-(1,3-benzothiazol-2-yl)-N-methylbenzamide | benzothiazoles | ||
6-methyl-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one | quinolines | ||
4-[2-[1-(4-methoxyphenyl)sulfonyl-2-benzimidazolyl]ethyl]morpholine | sulfonamide | ||
5-(2-furanyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole | phenylpyridine | ||
6-ethoxy-3-[[2-oxolanylmethyl-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one | quinolines | ||
3-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one | quinolines | ||
N-cyclohexyl-N,4-dimethyl-5-thieno[3,2-b]pyrrolecarboxamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide | quinazolines | ||
5-(1,3-benzodioxol-5-yl)-1-methyl-2-imidazolamine | benzodioxoles | ||
N-[2-(3-acetamidophenyl)-3H-benzimidazol-5-yl]acetamide | benzimidazoles | ||
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine | dialkylarylamine; tertiary amino compound | ||
3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one | quinolines | ||
2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(3-methoxyphenyl)thiazole | N-arylpiperazine | ||
N-[4-[oxo-(2-pyridinylamino)methyl]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea | quinolines | ||
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-fluorophenyl)-N-(3-pyridinyl)butanediamide | organonitrogen compound; organooxygen compound | ||
1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinoline | quinolines | ||
N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4-triazolecarboxamide | benzodioxoles | ||
2-[(3-ethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide | quinolines | ||
N-tert-butyl-2-(2-furanyl)-2-[[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]-(thiophen-2-ylmethyl)amino]acetamide | organonitrogen compound; organooxygen compound | ||
2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide | benzothiazoles | ||
[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone | piperazines; pyridines | ||
N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]benzamide | amidobenzoic acid | ||
2-[4-[(1-cyclopentyl-5-tetrazolyl)-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazole | N-arylpiperazine | ||
1-(3,5-dimethyl-1-pyrazolyl)-3-[2-(4-methoxyphenyl)-1-indolyl]-2-propanol | phenylindole | ||
1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine | piperazines | ||
6,7-dimethoxy-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrile | piperazines | ||
N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide | amidobenzoic acid | ||
N-(2,5-diethoxyphenyl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide | imidazopyridine | ||
N-(3-dibenzofuranyl)-4-morpholinecarboxamide | dibenzofurans | ||
2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(1-tetrazolyl)benzenesulfonamide | tetrazoles | ||
6-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-1H-benzimidazole | benzodioxine | ||
N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-3-oxobutanamide | anilide | ||
3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea | quinolines | ||
4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzamide | quinolines | ||
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one | quinolines | ||
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide | aromatic ether | ||
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide | benzimidazoles | ||
2-(ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole | methoxybenzenes | ||
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethylphenyl)-N-(2-pyridinyl)pentanediamide | organonitrogen compound; organooxygen compound | ||
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[4-propyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide | triazoles | ||
3-(2-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidinyl)ethyl]urea | quinolines | ||
2-[4-(benzenesulfonyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole | sulfonamide | ||
3-[(2-fluorophenyl)methyl]-5-propyl-N-(pyridin-4-ylmethyl)-7-triazolo[4,5-d]pyrimidinamine | triazolopyrimidines | ||
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-oxolanylmethyl)-2-thiazolamine | indoles | ||
1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanone | piperazines | ||
8-[(1-tert-butyl-5-tetrazolyl)-thiomorpholin-4-ylmethyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one | quinolines | ||
1-[1-[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-2-methylpropyl]-4-phenylpiperazine | piperazines | ||
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea | quinolines | ||
2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide | 1,3-oxazoles | ||
2-[[2-(4-methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanol | pyrazoles; ring assembly | ||
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine | aromatic ether | ||
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide | benzothiazoles | ||
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide | triazoles | ||
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone | piperazines | ||
2-[2-[[2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester | pyrazoles; ring assembly | ||
[4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone | N-arylpiperazine | ||
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide | piperazines | ||
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methanone | carbazoles | ||
1-[1-[[1-[(4-methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole | benzotriazoles | ||
[4-[2-(3-chlorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone | N-arylpiperazine | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide | benzodioxine | ||
N-(1,3-benzodioxol-5-yl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-pyrazinecarboxamide | organonitrogen compound; organooxygen compound | ||
LSM-34623 | pyrazoles; ring assembly | ||
LSM-34679 | triazolopyrimidines | ||
4-methyl-N-(2-methyl-5-tetrazolyl)benzamide | benzamides | ||
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(2-furanylmethyl)acetamide | quinolines | ||
3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one | quinolines | ||
1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yl-5-tetrazolyl)methyl]piperazine | piperazines | ||
N,N-diethyl-2-[(3-thiophen-2-yl-7-isothiazolo[4,5-d]pyrimidinyl)thio]acetamide | aryl sulfide | ||
3-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-(1-pyrrolidinyl)methyl]-8-methyl-1H-quinolin-2-one | quinolines | ||
8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione | oxopurine | ||
N-(2-ethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide | piperidines | ||
2-(2-cyanophenoxy)-N-[2-[cyclopropyl(oxo)methyl]-3-benzofuranyl]acetamide | benzofurans | ||
3-[[1-[1-(2-furanylmethyl)-5-tetrazolyl]propyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one | quinolines | ||
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenylurea | quinolines | ||
N-[2-[1,3-benzodioxol-5-yl-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-furancarboxamide | peptide | ||
N-(2-furanylmethyl)-N-[(7-methyl-4-tetrazolo[1,5-a]quinolinyl)methyl]-2-phenoxyacetamide | quinolines | ||
9-oxo-N-(3-pyridinylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide | aromatic amide; quinolines | ||
2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanone | pyridazines; ring assembly | ||
2-[5-(3,4-diethoxyphenyl)-2-tetrazolyl]-N-(3-methoxyphenyl)acetamide | tetrazoles | ||
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | aromatic ether; pyranopyrazole | ||
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester | pyrazoles; ring assembly | ||
5-[(2-fluoroanilino)methyl]-8-quinolinol | hydroxyquinoline | ||
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide | quinolines | ||
benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester | benzoate ester | ||
2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(6-methyl-2-pyridinyl)acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
N-[2-(4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]-2-furancarboxamide | peptide | ||
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylbutanediamide | organonitrogen compound; organooxygen compound | ||
N-[4-(diethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide | sulfonamide | ||
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone | aromatic ether | ||
1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid | carboxylic acid; piperidines | ||
N-(3,4-dimethylphenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide | anilide | ||
3-[[4-(1-benzotriazolyl)-1-piperidinyl]sulfonyl]-N-cyclopentylbenzenesulfonamide | sulfonamide | ||
2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide | imidazoles | ||
N,N-dimethyl-4-[[4-(5-methyl-1-benzotriazolyl)-1-piperidinyl]sulfonyl]benzamide | sulfonamide | ||
2-[4-[1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]propyl]-1-piperazinyl]-1,3-benzothiazole | N-arylpiperazine | ||
2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester | aryl sulfide | ||
cefsulodin | cefsulodin : A pyridinium-substituted semi-synthetic, broad-spectrum, cephalosporin antibiotic. Cefsulodin: A pyridinium-substituted semisynthetic, broad-spectrum antibacterial used especially for Pseudomonas infections in debilitated patients. | cephalosporin; organosulfonic acid; primary carboxamide | antibacterial drug |
omapatrilat | omapatrilat: structure in first source | dipeptide | |
fludarabine | purine nucleoside | ||
physostigmine salicylate | azaheterocycle salicylate salt; salicylates | ||
5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
2-amino-1-(1,3-benzodioxol-5-yl)-N-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide | quinoxaline derivative | ||
5-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline | 2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and pyrrolidin-1-yl groups, respectively. | pyridines; pyrrolidines; quinazolines | |
2-[[2-(3-methoxyphenoxy)-1-oxoethyl]amino]benzamide | amidobenzoic acid | ||
3,4,5-trimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide | sulfonamide | ||
2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
LSM-27020 | quinoxaline derivative | ||
2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone | N-acylpiperazine | ||
4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoic acid methyl ester | benzofurans | ||
2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester | alpha-amino acid ester | ||
5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
2-(butan-2-ylamino)-N-[4-[5-[[2-(butan-2-ylamino)-1-oxoethyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide | amino acid amide | ||
2-(butylamino)-N-[4-[5-[[2-(butylamino)-1-oxoethyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide | amino acid amide | ||
5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine | dimethoxybenzene | ||
2-[5-[(2-chlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine | triazoles | ||
4-(2-furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one | pyrrolopyrazole | ||
6-(4-methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | triazolothiadiazole | ||
4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidine | N-arylpiperazine | ||
8-(1,3-benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione | oxopurine | ||
2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione | triazoles | ||
4-(1H-benzimidazol-2-ylmethylthio)-2-methylbenzofuro[3,2-d]pyrimidine | benzimidazoles | ||
(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester | leucine derivative | ||
3-methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone | quinazolines | ||
N-[7-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxyacetamide | triazolopyrimidines | ||
1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinamine | quinoxaline derivative | ||
3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester | indolyl carboxylic acid | ||
3-(3-benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dione | aromatic ketone | ||
3-phenyl-1H-cinnolin-4-one | pyridazines; ring assembly | ||
3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester | indolyl carboxylic acid | ||
9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one | pyridopyrimidine | ||
(3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione | pyrrolidines | ||
N-(4-chlorophenyl)-2-[3-(2-furanylmethyl)-4-imino-6,6-dimethyl-2-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-1-yl]acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamide | triazolopyrimidines | ||
3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
LSM-32568 | N-arylpiperazine | ||
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide | oxadiazole; ring assembly | ||
2-[3-(2-furanylmethyl)-4-imino-6,6-dimethyl-2-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-1-yl]-N-phenylacetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide | aromatic amide; heteroarene | ||
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide | oxadiazole; ring assembly | ||
1-[2-[cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide | organonitrogen compound; organooxygen compound | ||
3-[(3aR,6aS)-6'-chloro-5-(4-chlorophenyl)-7'-methyl-2',4,6-trioxo-1-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]yl]propanamide | amino acid amide | ||
7-(3,4-dimethoxyphenyl)-4-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one | N-arylpiperazine | ||
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide | benzimidazoles | ||
4-[[1-oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione | piperazines | ||
5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide | pyrimidines | ||
3-(1-benzotriazolylmethyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzotriazoles; triazolothiadiazole | ||
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 | ||
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | triazolothiadiazole | ||
2-amino-4-(3-chlorophenyl)-6-(2-furanylmethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl ester | pyranopyridine | ||
6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrile | pyrazoles; ring assembly | ||
6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diamine | benzodioxoles | ||
4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazin-2-amine | piperazines | ||
3-(1-benzimidazolylmethyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzimidazoles; triazolothiadiazole | ||
2-[[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole | triazoles | ||
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzodioxine; triazolothiadiazole | ||
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 |
etodolac, (-)-isomer | (R)-etodolac : The R-enantiomer of etodolac. It is inactive, in contrast to the enantiomer, (S)-etodolac, which is a preferential inhibitor of cyclo-oxygenase 2 and a non-steroidal anti-inflammatory. The racemate is commonly used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. | etodolac | |
ag-213 | tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells; | ||
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide | benzamides | ||
2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]benzamide | carbonyl compound; organohalogen compound | ||
3,4-methylenedioxy-beta-nitrostyrene | 3,4-methylenedioxy-beta-nitrostyrene: tyrosine kinase inhibitor that prevents platelet glycoprotein IIb/IIIa activation; structure in first source | ||
1-(4-amino-2-methyl-3-quinolinyl)ethanone | aminoquinoline | ||
2-[[2-furanyl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester | organosulfur heterocyclic compound | ||
N-[4-(diethylamino)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
N-(2-furanylmethyl)-2-benzofurancarboxamide | benzofurans | ||
7,8,3'-trihydroxyflavone | 7,8,3'-trihydroxyflavone: a potent small molecule TrkB receptor agonist that protects spiral ganglion neurons from degeneration both in vitro and in vivo | ||
phenylthiourea | N-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing. Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless. | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
4-methyl-N-[4-(4-morpholinyl)phenyl]benzamide | benzamides | ||
sch-202676 | SCH-202676: An allosteric modulator of both agonist and antagonist binding to G protein-coupled receptors; structure in first source | ||
6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one | ether; flavonoids | ||
3,4'-dihydroxyflavone | 3,4'-dihydroxyflavone: an antioxidant; structure in first source | ||
6-methylflavone | 6-methylflavone: structure in first source | ||
caffeic acid | trans-caffeic acid : The trans-isomer of caffeic acid. | caffeic acid | geroprotector; mouse metabolite |
pongamol | pongamol: from Pongamia pinnata fruits; structure in first source | ||
methyl caffeate | methyl caffeate : An alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol. methyl caffeate: from plant Gaillardia pulchella | alkyl caffeate ester; methyl ester | |
2-methoxy-N-(2-pyridinyl)benzamide | benzamides | ||
5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione | methoxybenzenes | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamide | benzodioxine | ||
1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester | benzodioxoles | ||
ceefourin 1 | ceefourin 1: inhibits multidrug resistance protein 4; structure in first source | ||
N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamide | quinazolines | ||
3-(3,4-dimethoxyphenyl)propenoic acid | 3-(3,4-dimethoxyphenyl)propenoic acid: structure given in first source; RN given refers to parent cpd 3,4-dimethoxycinnamic acid : A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively. | methoxycinnamic acid | |
N-(5-methyl-3-isoxazolyl)-1,3-benzodioxole-5-carboxamide | benzodioxoles | ||
phenylthiazolylthiourea | Phenylthiazolylthiourea: A dopamine-beta-hydroxylase inhibitor. | ||
vu0038882 | VU0038882: structure in first source | ||
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide | benzamides | ||
N-(4-methoxyphenyl)-2-benzofurancarboxamide | aromatic amide; furans | ||
spiro[1,3-dihydroperimidine-2,1'-cycloheptane] | naphthalenes | ||
5-amino-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl ester | pyrazolopyridine | ||
1-cyclohexyl-3-(2-phenylethyl)urea | benzenes | ||
nsc185058 | NSC185058: an ATG4B antagonist | ||
2-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazole | aryl sulfide | ||
N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamide | imidazoles | ||
N-(3,4-dimethoxyphenyl)-4-methoxybenzamide | benzamides | ||
cid755673 | CID755673: a potent and selective inhibitor of protein kinase D; structure in first source | benzofurans | |
2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole | organofluorine compound | ||
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | naphthalenecarboxamide | ||
2-[[2-(5,6-dimethyl-1-benzimidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
1-(4,5-dihydrothiazol-2-yl)-3-phenylurea | ureas | ||
4-methyl-N-[1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]benzamide | benzimidazoles | ||
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole | aryl sulfide | ||
N-(1-naphthalenyl)-4-(phenylmethyl)-1-piperazinecarboxamide | naphthalenes | ||
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone | stilbenoid | ||
5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamide | aromatic amide; furans | ||
3,5-dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazole | naphthalenes; sulfonic acid derivative | ||
6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine | benzoxazole | ||
2-methyl-N-(2-naphthalenyl)-3-furancarboxamide | naphthalenes | ||
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) | benzimidazoles | ||
2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester | aromatic amine; isopropyl ester; tertiary carboxamide; thiophenes | ||
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide | benzodioxoles | ||
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea | benzodioxine | ||
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide | indoles | ||
2-[(2-chlorophenoxy)methyl]benzoic acid | benzoic acids | ||
huperzine a | organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite | |
5-(4-propan-2-ylphenyl)-2H-tetrazole | tetrazoles | ||
4-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl ester | benzoate ester | ||
N-(1,3-benzodioxol-5-yl)-4-(4-morpholinylmethyl)benzamide | benzodioxoles | ||
lupitidine | |||
N-[3-[(1,3-dioxo-5-isoindolyl)oxy]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide | sulfonamide | ||
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide | aromatic amide | ||
deltoin | deltoin: from Saposhnikovia divaricata (Fang Feng in Chinese); structure in first source | furanocoumarin | |
3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
N-(2-methyl-5-tetrazolyl)-2-naphthalenecarboxamide | naphthalenecarboxamide | ||
N2-(4-fluorophenyl)-6-(3-methyl-2-benzofuranyl)-1,3,5-triazine-2,4-diamine | benzofurans | ||
thiothixene | |||
curcumin | curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes. | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]thiourea | thioureas | ||
4-(2-naphthalenyloxymethyl)-2-thiazolamine | naphthalenes | ||
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide | aromatic amide | ||
N-(2-hydroxy-5-methoxy-1H-indol-3-yl)acetamide | hydroxyindoles | ||
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide | sulfonamide | ||
2-(3-pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole | sulfonamide | ||
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 | ||
4-[[[2,3-bis(2-pyridinyl)-6-quinoxalinyl]amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester | quinoxaline derivative | ||
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]-N-(4-methyl-2-thiazolyl)acetamide | methoxybenzenes | ||
4-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester | benzamides | ||
5-(3,4-dimethoxyphenyl)-2-phenyl-4-thieno[2,3-d][1,3]oxazinone | dimethoxybenzene | ||
N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamide | benzimidazoles | ||
N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]propanamide | piperazines | ||
5-(4-methylphenyl)-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
N-(4-cyano-2-methyl-3-pyrazolyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
N-(2-furanylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide | pyrimidines | ||
[4-(diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone | diarylmethane | ||
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline | piperazines; pyridines | ||
2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitrile | dimethoxybenzene | ||
N-(2-furanylmethyl)-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine | piperazines | ||
2-(2,6-diisopropylphenyl)-5-amino-1h-isoindole-1,3-dione | 2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione: an antineoplastic agent; structure in first source | ||
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamide | aromatic amide; thiophenes | ||
N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide | organosulfur heterocyclic compound | ||
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide | pyridinecarboxamide | ||
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide | methoxybenzenes | ||
[4-(2-methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanone | piperazines | ||
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone | azaspiro compound | ||
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinecarboxamide | pyridinecarboxamide | ||
5-[[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole | triazoles | ||
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]acetamide | anilide | ||
1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide | sulfonamide | ||
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide | sulfonamide | ||
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide | piperazines | ||
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide | pyridopyrimidine | ||
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide | aromatic ether | ||
3-phenyl-5-[[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole | oxadiazole; ring assembly | ||
2-(4-chlorophenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamide | thioureas | ||
2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide | aromatic amide | ||
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamide | benzothiazoles | ||
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | aromatic ether | ||
2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-N-(2-furanylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide | phthalimides | ||
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide | sulfonamide | ||
[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-methyl-1-piperazinyl)methanone | benzamides | ||
N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl ester | piperazines | ||
darunavir ethanolate | phenothiazines | ||
4-[[diethylamino(oxo)methyl]amino]benzoic acid ethyl ester | benzoate ester | ||
N-[3-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(2-methoxyphenyl)acetamide | acetamides | ||
4-(dimethylsulfamoyl)-N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamide | isoindoles | ||
N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide | benzamides | ||
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine | piperazines | ||
N-(2,3-dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamide | indanes | ||
Src Inhibitor-1 | Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases. | aromatic ether; polyether; quinazolines; secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid: has been shown to exhibit unprecedented positive allosteric activity for ACh binding as well as inherent agonist activity at the M1 muscarinic receptor; structure in first source | ||
2-amino-6-ethyl-3-(3-isoxazolyl)-7-methoxy-1-benzopyran-4-one | chromones | ||
cis-resveratrol | cis-resveratrol : The cis-stereoisomer of resveratrol. | resveratrol | |
capsaicin | ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers. | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
fluoxetine | (S)-fluoxetine : An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine]. | N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | antidepressant; serotonin uptake inhibitor |
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone | aromatic ether | ||
4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester | pyrimidinecarboxylic acid | ||
2-chloro-N-heptyl-N-(3-methylphenyl)acetamide | anilide | ||
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 |
N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide | carbazoles | ||
xl147 | aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione | indoles | ||
2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester | amidobenzoic acid | ||
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide | sulfonamide | ||
benzotript | benzotript: anti-gastrinic; active group is amide; structure | ||
N-(9-ethyl-3-carbazolyl)-2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]acetamide | carbazoles | ||
N-[4-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide | acetamides; anilide | ||
7-[[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone | aryl sulfide | ||
3-methyl-2-benzofurancarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester | benzofurans | ||
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide | aromatic ether | ||
4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester | benzothiazoles | ||
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide | ring assembly; thiophenes | ||
1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethanone | sulfonamide | ||
2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester | aromatic carboxylic acid; pyridines | ||
1-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanone | benzoylpyrazole | ||
2-[[2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxamide | aromatic amide; thiophenes | ||
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-(2-furanyl)-1,3,4-oxadiazol-2-amine | dicarboximide; heterocyclic compound | ||
3-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one | benzotriazines | ||
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 | ||
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide | morpholines; pyrimidone; secondary carboxamide; tertiary amino compound | ||
2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetic acid ethyl ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide | sulfonamide | ||
4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl ester | aromatic amide; furans; isopropyl ester | ||
2-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]benzoic acid ethyl ester | benzamides | ||
N-(3-dibenzofuranyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide | dibenzofurans | ||
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamide | aromatic amide; furans | ||
4-methyl-N-[2-(phenylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide | sulfonamide | ||
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine | aromatic ether | ||
2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester | ring assembly; thiophenes | ||
N-(2-furanylmethyl)-2-[3-(1-oxo-2-phenoxyethyl)-1-indolyl]acetamide | indoles | ||
N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
2-(3,5-dimethylphenoxy)-N-[3-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide | anilide | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamide | dibenzofurans | ||
N-(3-acetylphenyl)-5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinecarboxamide | aromatic amide | ||
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinyl)methanone | pyrimidines | ||
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone | benzodioxine | ||
2-((3-(2,3-dichlorophenoxy)propyl)amino)ethanol | 2-((3-(2,3-dichlorophenoxy)propyl)amino)ethanol: apoptosis-inducing agent that down-regulates Bcl-XL in cancer cells; structure in first source | dichlorobenzene | |
2-(2,4-dichloro-6-methylphenoxy)-N-(2-furanylmethyl)acetamide | dichlorobenzene | ||
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamide | morpholines | ||
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one | 5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4H-1-benzopyran-4-one: structure in first source | ||
LSM-19724 | naphthalenes; sulfonic acid derivative | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide | pyrazoles; ring assembly | ||
4-amino-2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]isoindole-1,3-dione | phthalimides | ||
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide | pyrazoles; ring assembly | ||
[2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone | N-arylpiperazine | ||
3-[5-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1,3,4-oxadiazol-2-yl]-1-benzopyran-2-one | pyrroles | ||
[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone | sulfonamide | ||
N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide | anilide | ||
2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole | triazoles | ||
5-[2-[[2-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester | aromatic amide; furans | ||
2-(1,3-benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1,3,4-oxadiazole | benzodioxoles | ||
2-[[[2-[(5-methoxycarbonyl-2-furanyl)methoxy]-2-oxoethyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
4-(4-methyl-1-piperidinyl)-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine | organonitrogen heterocyclic compound; thienopyrimidine | ||
4-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester | thiophenecarboxylic acid | ||
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone | indoles | ||
1-[2-(4-methoxyphenoxy)ethylthio]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | triazolobenzothiazole | ||
N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamide | benzamides | ||
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 |
tacrine hydrochloride | |||
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 | |||
meso-1,2-diphenylethylenediamine, (r-(r*,s*))-isomer | diphenylethylenediamine: structure in first source | ||
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 | ||
galactal | galactal: RN given refers to cpd with unspecified isomeric designation; structure | anhydrohexose; glycal | |
jnj-5207852 | |||
stattic | 1-benzothiophenes; C-nitro compound; sulfone | antineoplastic agent; radiosensitizing agent; STAT3 inhibitor | |
cgp 74514a | |||
1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dione | anthraquinone | ||
2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole | 2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole: an amyloid imaging agent; structure in first source | ||
methyl-thiohydantoin-tryptophan | methyl-thiohydantoin-tryptophan: structure in first source | organonitrogen compound; organooxygen compound | |
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile | methoxybenzenes | ||
4-ethyl-2-methoxy-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxaline | pyrroline | ||
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol | methoxybenzenes | ||
alanyl-alanyl-alanyl-alanine, (d-ala-l-ala-l-ala-l-ala)-isomer | aromatic amide; furans | ||
1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanol | phenothiazines | ||
2,2'-[3-(2-methoxyphenyl)-1,2-propanediyl]bis(1H-benzimidazole) | 1-(2,3-dibenzimidazol-2-ylpropyl)-2-methoxybenzene: a Syk inhibitor with anti-inflammatory activity; structure in first source | benzimidazoles | |
6-amino-4-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | piperazines; pyranopyrazole | ||
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide | benzamides | ||
1-(2-furanylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione | toluenes | ||
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine | pyrazoles; ring assembly | ||
2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)thio]-N-cyclohexylacetamide | tetrahydropyridine | ||
N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide | sulfonamide | ||
3-hydroxy-3-[2-oxo-2-[4-(1-pyrrolyl)phenyl]ethyl]-1H-indol-2-one | aromatic ketone | ||
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide | organonitrogen compound; organooxygen compound | ||
N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide | benzamides | ||
N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxybutanamide | anilide | ||
N-[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide | benzamides | ||
3-[2-(2,4-dimethyl-3-furanyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2-indolone | indoles | ||
N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]propanamide | piperazines | ||
3-fluoro-N-[4-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]benzenesulfonamide | piperazines | ||
1-[2-(hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol | indoles | ||
1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)urea | piperazines | ||
9-oxo-N-(1-phenylethyl)-3-bicyclo[3.3.1]nonanecarboxamide | benzenes | ||
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamide | aromatic amide; thiophenes | ||
6-(2-chlorophenyl)-3-methyl-2-[4-morpholinyl(oxo)methyl]-1,5,6,7-tetrahydroindol-4-one | indoles | ||
N-[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-2-(4-chlorophenyl)acetamide | piperazines | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide | benzodioxine | ||
4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester | benzodioxoles | ||
2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl ester | pyrimidines | ||
1-[2-furanyl(oxo)methyl]-6-(1-pyrrolidinylsulfonyl)-2-benzo[cd]indolone | naphthalenes; sulfonic acid derivative | ||
2-[[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-1,3,4-oxadiazole | triazoles | ||
3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide | benzimidazoles | ||
7-[[[1-(3-methylphenyl)-2-benzimidazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone | benzimidazoles | ||
2-(4-cyanophenoxy)-N-(2-methyl-1-phenyl-5-benzimidazolyl)acetamide | benzimidazoles | ||
1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]ethanone | sulfonamide | ||
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-pyrazinecarboxamide | benzothiazoles | ||
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenyl-3-pyridinesulfonamide | pyridines; sulfonamide | ||
N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamide | benzothiazoles | ||
2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]isoindole-1,3-dione | phthalimides | ||
1-butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide | phthalimides | ||
3-(2,5-dimethyl-3-furanyl)-5,6-diphenyl-1,2,4-triazine | 1,2,4-triazines | ||
1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-oxolanyl) ester | pyrazoles; ring assembly | ||
7-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one | piperazines | ||
3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester | piperazines | ||
1-butyl-2-[(5-phenyl-2-oxazolyl)methylthio]-5-benzimidazolesulfonamide | 1,3-oxazoles | ||
2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)oxy]-N-methyl-N-phenylacetamide | anilide | ||
3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | phthalazines | ||
6-methyl-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester | amino acid amide | ||
2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester | quinolines | ||
3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester | benzoate ester | ||
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamide | amphetamines | ||
2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione | pyrroles | ||
Ganodermanontriol | triterpenoid | metabolite | |
LSM-1318 | oxa-steroid | ||
l 783281 | L 783281: structure in first source | ||
zephiran | |||
Avocadyne | long-chain fatty alcohol | ||
6-methyl-2-(phenylethynyl)pyridine | 2-methyl-6-(phenylethynyl)pyridine : A methylpyridine that coinsists of 2-methylp[yridine bearing an additional phenylethynyl group at position 6. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw. 6-methyl-2-(phenylethynyl)pyridine: an mGlu5 antagonist | acetylenic compound; methylpyridines | anxiolytic drug; metabotropic glutamate receptor antagonist |
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 |
zuclomifene citrate | |||
triptorelin | iodophenpropit: structure given in first source | organoiodine compound | |
sf 2370 | K-252a : A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a SF 2370: indolocarbazole isolated from Actinomadura sp. SF-2370; structure given in first source | bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound | antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist |
u-50488 | 3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer: A non-peptide, kappa-opioid receptor agonist which has also been found to stimulate the release of adrenocorticotropin (ADRENOCORTICOTROPIC HORMONE) via the release of hypothalamic arginine vasopressin (ARGININE VASOPRESSIN) and CORTICOTROPIN-RELEASING HORMONE. (From J Pharmacol Exp Ther 1997;280(1):416-21) U50488 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine | dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine | analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist |
n,n'-4-xylylenebis(pyridinium) | |||
lamifiban | lamifiban: a nonpeptide glycoprotein IIb/IIIa antagonist; prevents platelet loss during experimental cardiopulmonary bypass | N-acylglycine | |
bp 897 | BP 897: a dopamine D3 receptor agonist; structure in first source | naphthalenecarboxamide | |
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 | |
3-deoxyvasicine, hydrochloride | |||
azilect | |||
rasagiline | indanes; secondary amine; terminal acetylenic compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent | |
dasatinib | dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN). N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
ha 1100 | HA 1100: intracellular calcium antagonist | ||
7-epi-hydroxystaurosporine | |||
erysolin | |||
arginyl-glycyl-aspartyl-phenylalanine | |||
acetyl-arginyl-glycyl-aspartyl-serinamide | |||
zd 6474 | CH 331: structure in first source | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
thalifendine | thalifendine: structure in first source | ||
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine | methoxybenzenes | ||
uccf-029 | organic heterotricyclic compound; organooxygen compound | ||
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine | quinazolines | ||
6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine | quinazolines | ||
6-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine | quinazolines | ||
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine | quinazolines | ||
6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
6-(3-methoxyphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine | quinazolines | ||
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine | quinazolines | ||
nih-12848 | NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source | ||
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine | quinazolines | ||
N-[(3-methylphenyl)methyl]-6-(3-pyridinyl)-4-quinazolinamine | quinazolines | ||
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinamine | benzodioxoles | ||
2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester | methoxybenzenes | ||
4-[butan-2-yl-[(3,4-dichloroanilino)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester | ureas | ||
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester | quinolines | ||
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide | triazoles | ||
3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one | N-acylpiperidine | ||
N-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-2-(1-oxo-2-isoquinolinyl)acetamide | piperazines | ||
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanone | naphthalenes | ||
6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one | piperazines; pyridines | ||
2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide | oxadiazole; ring assembly | ||
2-[8-[[bis(phenylmethyl)amino]methyl]-3-methyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester | alpha-amino acid ester | ||
2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamide | N-acyl-amino acid | ||
N-(3-chlorophenyl)-2-[6,7-dimethoxy-2,4-dioxo-3-(2-oxolanylmethyl)-1-quinazolinyl]acetamide | quinazolines | ||
1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester | carboxylic acid; piperidines | ||
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamide | quinolines | ||
4-morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester | pyranopyrazole; ring assembly | ||
N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamide | aromatic amide; furans | ||
6-[4-(3-chlorophenyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dione | piperazines | ||
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 | ||
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide | indanes | ||
1-(2-methoxyethyl)-2-[(4-methylphenoxy)methyl]benzimidazole | benzimidazoles | ||
4-hydroxy-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester | peptide | ||
3,4-dihydro-2H-quinolin-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanone | quinolines | ||
N-(5-chloro-2-methoxyphenyl)-2,4-dimethyl-5-oxazolecarboxamide | aromatic amide | ||
1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid | pyrazoles; ring assembly | ||
1,7,7-trimethyl-9-oxo-N-(2-oxolanylmethyl)-8H-furo[3,2-f][1]benzopyran-2-carboxamide | 1-benzopyran | ||
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-pyridinecarboxamide | 1,3-oxazoles | ||
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamide | thiazoles | ||
N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide | N-acyl-amino acid | ||
4-(3,4-dimethoxyphenyl)-2-(1-piperidinyl)-6-(trifluoromethyl)pyrimidine | pyrimidines | ||
N-(3-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide | aromatic amide; furans | ||
4-[2-[[2-[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester | benzodioxoles | ||
2-(2,4-dimethoxyanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-quinolinecarboxamide | quinolines | ||
1-[4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazinyl]-2-[[3-(4-morpholinyl)-2-quinoxalinyl]thio]ethanone | quinoxaline derivative | ||
2-[(5-bromo-2-thiophenyl)sulfonyl-methylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide | organonitrogen compound; organooxygen compound | ||
N-(2-methoxyethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide | methoxybenzenes | ||
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone | benzothiadiazole | ||
N-[4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-oxo-2-isoquinolinyl]-2-pyrazinecarboxamide | piperazines | ||
2-(4-ethoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid | pyrazoles; ring assembly | ||
3-methyl-N,6-diphenyl-2-imidazo[2,1-b]thiazolecarboxamide | aromatic amide | ||
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide | benzothiadiazole | ||
2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one | quinazolines | ||
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide | N-acylpiperidine | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide | phthalazines | ||
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester | carboxylic acid; piperidines | ||
N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamide | piperazines; pyridines | ||
5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamide | quinolines | ||
N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]acetamide | pyridazines; ring assembly | ||
6-[(2-ethylphenyl)sulfamoyl]-N-(2-furanylmethyl)-4-oxo-1H-quinoline-3-carboxamide | aromatic amide; quinolines | ||
2-[[3-oxo-2-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetonitrile | piperazines | ||
2-amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile | aryl sulfide | ||
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanone | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | ||
3,4-dihydro-2H-quinolin-1-yl-[5-(4-methoxyphenyl)-3-isoxazolyl]methanone | quinolines | ||
6-[(2-ethylphenyl)sulfamoyl]-4-oxo-N-(2-oxolanylmethyl)-1H-quinoline-3-carboxamide | aromatic amide; quinolines | ||
N-butyl-2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]acetamide | quinazolines | ||
4-(4-methyl-1-oxido-2-triazol-1-iumyl)benzoic acid | triazoles | ||
3-(4-methoxyphenyl)-3-(1-pyrrolyl)-N-(2-thiazolyl)propanamide | methoxybenzenes | ||
N-(1,3-benzodioxol-5-yl)-2-[(1-ethyl-2-oxo-4-quinolinyl)thio]acetamide | quinolines | ||
6-(1-azepanylsulfonyl)-1-ethyl-N-(2-furanylmethyl)-4-oxo-3-quinolinecarboxamide | aromatic amide; quinolines | ||
3-(2-chlorophenyl)-5-methyl-N-[3-(3-methyl-2-imidazo[1,2-a]pyrimidinyl)phenyl]-4-isoxazolecarboxamide | aromatic amide | ||
N-(1,3-benzodioxol-5-yl)-5-bromo-1-[cyclopropyl(oxo)methyl]-N-ethyl-2,3-dihydroindole-7-sulfonamide | sulfonamide | ||
N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine | piperazines | ||
2-furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanone | N-arylpiperazine | ||
N-(4-ethoxyphenyl)-2-(hydroxymethyl)benzamide | benzamides | ||
1-acetyl-5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-2,3-dihydroindole-7-sulfonamide | benzodioxine | ||
6-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-5-thieno[2,3-b]pyrrolecarboxylic acid methyl ester | anilide | ||
N-(3,4-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide | sulfonamide | ||
N-(1,3-benzodioxol-5-yl)-2-[[6-methyl-4-oxo-3-(phenylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide | aromatic amide; furans | ||
[4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone | piperazines; pyridines | ||
2-amino-4-[4-(methylthio)phenyl]-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile | quinolines | ||
2,5-dimethyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound; thienopyrimidine | ||
N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[(1-ethyl-2-oxo-4-quinolinyl)oxy]acetamide | piperazines | ||
2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester | N-acyl-amino acid | ||
2-(7-methyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)acetic acid methyl ester | alpha-amino acid ester | ||
N-(2,3-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide | aromatic amide; furans | ||
N,3-diphenyl-1-pyrrolidinecarboxamide | pyrrolidines | ||
7-(2,4-dichlorophenyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonitrile | pyrimidines | ||
N-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide | aromatic amide; heteroarene | ||
3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide | pyrrolidines | ||
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-4-oxo-6-(1-pyrrolidinylsulfonyl)-3-quinolinecarboxamide | aromatic amide; quinolines | ||
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one | imidazoles | ||
N-butan-2-yl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide | aromatic amide; quinolines | ||
7-[4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one | piperazines | ||
N-(2-furanylmethyl)-5,7-dimethyl-6-[(3-methylphenyl)methyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide | pyrazolopyrimidine | ||
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(2-furanylmethyl)-6,7-dimethoxyquinazoline-2,4-dione | aromatic ketone | ||
8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione | piperazines | ||
2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | quinazolines | ||
1-methyl-N-(2-methylcyclohexyl)-4-oxo-6-(1-pyrrolidinylsulfonyl)-3-quinolinecarboxamide | aromatic amide; quinolines | ||
2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide | imidazoles | ||
cyclopentanecarboxylic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester | sulfonamide | ||
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-piperidinecarboxamide | benzodioxine | ||
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide | aromatic amide; heteroarene | ||
N-[3-(cyclohexylthio)propyl]-1-[(4-methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]-3-piperidinecarboxamide | N-acylpiperidine | ||
N-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-2-oxolanecarboxamide | amidobenzoic acid | ||
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one | quinazolines | ||
8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one | quinolines | ||
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea | aromatic ether | ||
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | aromatic ketone | ||
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea | 1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea : A member of ther class of ureas that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an N-methylindol-5-yl group, while a hydrogen attached to the other nitrogen has been replaced by a 3-methyl-1,2-thiazol-5-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor. N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a 5-HT(2B) receptor antagonist; structure given in first source | 1,2-thiazoles; indoles; ureas | receptor modulator; serotonergic antagonist |
rs-130830 | RS-130830: orally-active broad-spectrum matrix metalloproteinase inhibitor | ||
sb-224289 | SB 224289 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid with the secondary amino group of 1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidine]. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo. | 1,2,4-oxadiazole; azaspiro compound; benzamides; organic heterotetracyclic compound | serotonergic antagonist |
gtp 14564 | pyrazoles; ring assembly | ||
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 |
blister | blebbistatin : A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II. blebbistatin: structure in first source | cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone | inhibitor |
ro 41-0960 | |||
cgp 13501 | CGP 13501: structure in first source | alkylbenzene | |
2,4-dihydroxyheptadec-16-enyl acetate | 2,4-dihydroxyheptadec-16-enyl acetate: isolated from avocado; structure in first source | long-chain fatty alcohol | |
l 663536 | 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase. MK-886: orally active leukotriene biosynthesis inhibitor | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
illudalic acid | illudalic acid: isolated from Clitocybe illudens; structure in first source | ||
ungeremine | organic molecular entity | metabolite | |
rs 17053 | indoles | ||
ro 106-9920 | Ro 106-9920: inhibits ubiquitination to block NF-kappaB-dependent cytokine expression; structure in first source | sulfoxide | |
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine | benzodioxine; thienopyrimidine | ||
2,4-dihydroxyheptadec-16-ynyl acetate | 2,4-dihydroxyheptadec-16-ynyl acetate: isolated from avocado; structure in first source | long-chain fatty alcohol | |
sew2871 | SEW2871: structure in first source | oxadiazole; ring assembly | |
3,5-bis(4-methoxyphenyl)-1H-imidazole-2-thione | 1,3-dihydroimidazole-2-thiones | ||
5-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester | depsipeptide | ||
3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamide | aminoquinoline | ||
1-(5-methyl-2-furanyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dione | chromones | ||
sch 79797 | quinazolines | ||
am 630 | iodopravadoline: an aminoalkylindole; a competitive cannabinoid receptor antagonist; structure given in first source | N-acylindole | |
digitoxigenin | digitoxigenin : A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22). Digitoxigenin: 3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin. | 14beta-hydroxy steroid; 3beta-hydroxy steroid | |
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 |
pd 407824 | |||
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide | 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitor | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
2-[8-[(2,6-dimethyl-4-morpholinyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester | alpha-amino acid ester | ||
5-Nitroisatin | indoles | anticoronaviral agent | |
N-[[1-(2-phenoxyethyl)-2-benzimidazolyl]methyl]aniline | benzimidazoles | ||
2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester | alpha-amino acid ester | ||
cgp 7930 | 2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol: structure in first source | alkylbenzene | |
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 |
1,3-dimethyl-8-(3-methyl-1-piperidinyl)-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]purine-2,6-dione | oxopurine | ||
imd 0354 | N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first source | benzamides | |
1-[2-[(4-pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea | thioureas | ||
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-ylemine | pyrazolopyrimidine | tyrosine kinase inhibitor | |
ncgc00099374 | |||
sib 1757 | SIB 1757: a selective mGluR5 antagonist; structure in first source | ||
ginkgetin | ginkgetin : A biflavonoid that is the 7,4'-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2. ginkgetin: from Cephalotaxus drupacea; biflavone; active against HSV-1; structure given in first source | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
calceolarioside a | calceolarioside A: structure given in first source; isolated from Calceolaria hypericina; induces platelet aggregation | hydroxycinnamic acid | |
calceolarioside b | calceorioside B: a cardioprotective agent isolated from Akebia; structure in first source | hydroxycinnamic acid | metabolite |
cyclo(d-tyrosyl-arginyl-arginyl-3-(2-naphthyl)alanyl-glycyl) | oligopeptide | ||
quercetin | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger | |
biochanin a | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor | |
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 | |
pinosylvin | pinosylvin: phytoalexin found in pine and eucalyptus | pinosylvin | |
scopoletin | hydroxycoumarin | plant growth regulator; 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 |
gossypetin | gossypetin : A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions. gossypetin: inhibits activity of penicillinase enzyme in E coli | 7-hydroxyflavonol; hexahydroxyflavone | plant metabolite |
chrysoeriol | 4',5,7-trihydroxy-3'-methoxyflavone : The 3'-O-methyl derivative of luteolin. chrysoeriol: isolated from leaves of Eurya japonica & E. emarginata | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; antioxidant; metabolite |
cyclosporine | |||
bryostatin 1 | acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol | alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist | |
rutin | Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
kaempferol | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite | |
lipoxin a4 | lipoxin A4 : A C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. lipoxin A4: an antifibrolytic agent; structure given in first source; a role in ASPIRIN antiinflammatory activity | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
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 | |
butein | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor | |
cucurbitacin d | cucurbitacin D : A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23. cucurbitacin D: toxic constituent in edible gourd; see also records for cucurbitacins & specific cucurbitacins | cucurbitacin; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | |
nsc 106399 | cucurbitacin E : A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 1, 5 and 23. cucurbitacin E: RN refers to (9beta,10alpha,16alpha,23E)-isomer; structure given in first source | cucurbitacin; tertiary alpha-hydroxy ketone | |
cucurbitacin i | cucurbitacin I : A cucurbitacin that is 9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene substituted by hydroxy groups at positions 2, 16, 20 and 25 and oxo groups at positions 1, 11 and 22. cucurbitacin I: toxic constituent in edible gourd; see also records for cucurbitacins & specific cucurbitacins | cucurbitacin; tertiary alpha-hydroxy ketone | antineoplastic agent; plant metabolite |
7-hydroxycoumarin | 7-oxycoumarin: derivatives have anti-oxidant properties umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. | hydroxycoumarin | fluorescent probe; food component; plant metabolite |
amentoflavone | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite | |
baicalein | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger | |
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 |
datiscetin | datiscetin : A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5. | 7-hydroxyflavonol; tetrahydroxyflavone | |
3,7,4'-trihydroxyflavone | 3,7,4'-trihydroxyflavone: structure in first source | hydroxyflavan | |
diosmetin | 3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent | |
fisetin | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite | |
galangin | 5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
genkwanin | genkwanin : A monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated. genkwanin: structure | dihydroxyflavone; monomethoxyflavone | metabolite |
hinokiflavone | hinokiflavone : A biflavonoid that is apigenin substituted by a 4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy group at position 6. A diflavonyl ether, it is isolated from Rhus succedanea and has been found to possess significant cytotoxic potential. hinokiflavone: from Rhus succedanea; structure given in first source | aromatic ether; biflavonoid; hydroxyflavone | antineoplastic agent; metabolite; neuroprotective agent |
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 |
3-methylquercetin | isorhamnetin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group. | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
norlichexanthone | norlichexanthone : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus. norlichexanthone: isolated from fungus P16; structure in first source | polyphenol; xanthones | antimalarial; fungal metabolite |
kaempferide | kaempferide : A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol. kaempferide: structure in first source | 7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone | antihypertensive agent; metabolite |
morin | morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5. morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria) | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
myricetin | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite | |
sciadopitysin | sciadopitysin : A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone. sciadopitysin: biflavonoid from Taxus celebica & Ginkgo biloba | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | bone density conservation agent; platelet aggregation inhibitor |
scutellarein | scutellarein : Flavone substituted with hydroxy groups at C-4', -5, -6 and -7. scutellarein: aglycone of scutellarin from Scutellaria baicalensis; carthamidin is 2S isomer of scutellarein; do not confuse with isoscutellarein and/or isocarthamidin which are respective regioisomers, or with the scutelarin protein | tetrahydroxyflavone | metabolite |
tamarixetin | tamarixetin : A monomethoxyflavone that is quercetin methylated at position O-4'. Isolated from Cyperus teneriffae. tamarixetin: isolated from Costsus spicatus | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | antioxidant; 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 | ||
pterostilbene | diether; methoxybenzenes; stilbenol | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger | |
chicoric acid | chicoric acid: inhibits HIV-1 integrase | organooxygen compound | geroprotector; HIV-1 integrase inhibitor |
forsythiaside | forsythiaside: RN given refers to (E)-isomer; structure given in first source; from the unripe fruit of Forsythia suspensa (qinglianquiao) | hydroxycinnamic acid | |
3,4-di-o-caffeoylquinic acid | 3,4-di-O-caffeoylquinic acid: isolated from Siphonostegia chinensis | quinic acid | |
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 |
salvianolic acid a | salvianolic acid A: a nootropic depside from Salvia miltiorrhizia | stilbenoid | |
acteoside | acteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid. acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae) | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
rottlerin | rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1); | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
ellagic acid | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent | |
7-hydroxyflavone | 7-hydroxyflavone : A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group. | hydroxyflavonoid | |
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 |
tranilast | tranilast : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 3,4-dimethoxycinnamoyl group. tranilast: antiallergic drug; potent inhibitor of homologous passive cutaneous anaphylaxis | amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide | anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent |
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 |
4'-hydroxychalcone | 4'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4'. 4'-hydroxychalcone: inhibits TNFalpha-induced NF-κB activation; structure in first source | chalcones; phenols | anti-inflammatory agent; antineoplastic agent |
10-octadecenoic acid, (z)-isomer | long-chain fatty acid | ||
sphingosine 1-phosphate | sphingosine 1-phosphate : A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1 sphingosine 1-phosphate: RN given refers to (R-(R*,S*-(E)))-isomer; RN for cpd without isomeric designation not available 8/89 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
astrogorgiadiol | astrogorgiadiol: structure in first source | sesquiterpenoid | |
perhexiline maleate | |||
quercetin | |||
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 |
ophiocordin | azepinostatin: isolated from Fusarium merismoides; structure in first source; RN assigned by CAS - 63590-19-2 (ophiocordin; azepinostatin is not the same as ophiocordin) | ||
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 |
N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide | N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide : A leucine derivative obtained by fpormal condensation of the secondary amino group of 5-({2,3-dichloro-4-[1-methyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)-2-furoic acid and the carboxy group of N-amidino-L-leucylglycine | D-leucine derivative; dichlorobenzene; furoic acid; glycine derivative; guanidines; pyrazolylpiperidine | |
N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose | N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose : An amino trisaccharide that is the carbohydrate portion of ganglioside GM3. It comprises a linear sequence of alpha-N-acetylneuraminyl, beta-D-galactosyl and beta-D-glucose residues linked (2->3) and (1->4). | N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose | epitope; mammalian metabolite |
ic 261 | IC 261: a caseine kinase-1 inhibitor; structure in first source | ||
tmi-1 | |||
su 5402 | SU 5402: structure given in first source SU5402 : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. | ||
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 |
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
N-(5-bromo-2-thiazolyl)-3-phenyl-2-(1-pyrrolyl)propanamide | amphetamines | ||
4-[5-(4-methoxyphenyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)butanamide | methoxybenzenes | ||
3-[[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one | N-arylpiperazine | ||
3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide | pyrazoles; ring assembly | ||
4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl ester | pyrazoles; ring assembly | ||
1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-piperidinecarboxamide | 1,3-oxazoles | ||
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide | aromatic amide | ||
N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamide | aromatic amide; heteroarene | ||
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide | imidazoles | ||
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one | indoles | ||
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide | benzamides | ||
olvanil | methoxybenzenes; phenols | ||
pd 180970 | PD 180970: inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source | ||
cp 481715 | quinoxaline-2-carboxylic acid (4-carbamoyl-1-(3-fluorobenzyl)-2,7-dihydroxy-7-methyloctyl)amide: a CCR1 antagonist and NSAID; structure in first source | ||
k 185 | |||
cgp 77675 | CGP 77675: belongs to class of substituted 5,7-diphenyl-pyrrolo(2,3-d)pyrimidines; structure in first source | ||
pd 166285 | |||
sr 59230a | tetralins | ||
su 6656 | SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase. | ||
bilobetin | bilobetin: a phospholipase A2 antagonist | flavonoid oligomer | |
rosmarinic acid | rosemarinic acid: a dimer of caffeic acid isolated from rosemary rosmarinate : The conjugate base of rosmarinic acid; major species at pH 7.3. | carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor |
7-demethylsuberosin | 7-demethylsuberosin : A hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata. 7-demethylsuberosin: fucocoumarin derivative of Angelicae dahuricae | hydroxycoumarin | plant metabolite |
fumarprotocetraric acid | fumarprotocetraric acid: RN given refers to (E)-isomer; structure given in first source | carbonyl compound | |
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 | |
isocryptomerin | isocryptomerin: an antifungal agent isolated from Selaginella tamariscina; structure in first source | ||
isoginkgetin | isoginkgetin : A biflavonoid resulting from the formal oxidative dimerisation between position 8 of one molecule of 5,7-dihydroxy-4'-methoxyflavone and the 3' position of another. Found in the leaves of Ginkgo biloba, it is a potent inhibitor of matrix metalloproteinase 9 (MMP-9). isoginkgetin: Isolated from Ginkgo biloba; structure in first source | aromatic ether; biflavonoid | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite |
5,7-dihydroxy-4',6-dimethoxyflavone | 5,7-dihydroxy-4',6-dimethoxyflavone: from Cirsium japonicum D. C. pectolinarigenin : A dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein. | dihydroxyflavone; dimethoxyflavone | plant metabolite |
podocarpusflavone a | podocarpusflavone A: isolated from Podocarpus imbricatus | flavonoid oligomer | |
5,7,2'-trihydroxyflavone | 5,7,2'-trihydroxyflavone: has inhibitory effects on the EBV-EA activation & on mouse skin tumor promotion in an in vivo two-stage carcinogenesis test; from Scutellaria baicalensis; structure given in first source | flavones | |
furazolidone | |||
granulatimide | granulatimide: minor alkaloids of the Brazilian ascidian Didemnum; structure in first source | ||
arcyriaflavin a | arcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first source | indolocarbazole | |
pd 089828 | PD 089828: structure in first source | ||
pd 166866 | PD 166866: structure in first source PD-166866 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by an amino group at position 2, 3,5-dimethoxyphenyl group at position 6, and by a (tert-butylcarbamoyl)nitrilo group at position 7. It is a selective ATP competitive inhibitor of the human fibroblast growth factor-1 receptor (FGFR1) tyrosine kinase with an IC50 of 52.4 nM. | biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pd 161570 | PD 161570: structure in first source | ||
pd-173952 | |||
tyrphostin ag 555 | |||
tyrphostin ag-494 | AG 494: tyrphostin that blocks Cdk2 activation; structure in first source | ||
bosutinib | 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first source | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
semaxinib | semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group. | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
orantinib | orantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. orantinib: an antiangiogenic agent | ||
su 11248 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist | |
m475271 | AZM475271: a Src family kinase inhibitor | ||
palbociclib | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | |
d-64406 | D-64406: structure in first source | indolyl carboxylic acid | |
jnj-7706621 | sulfonamide | ||
fosbretabulin | stilbenoid | ||
6,7-dihydroxyflavone | 6,7-dihydroxyflavone: intensifies effect of antibiotics on Staphylococcus aureus; structure in first source | ||
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 |
oxiconazole | oxiconazole : An oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections. oxiconazole: RN given refers to parent cpd(Z)-isomer; structure given in first source | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
2,4,3',5'-tetramethoxystilbene | 2,4,3',5'-tetramethoxystilbene: potent inhibitor of human cytochrome P450 1B1; an antihypertensive agent; structure in first source | ||
methyl-3-methoxy-4-hydroxystyryl ketone | methyl-3-methoxy-4-hydroxystyryl ketone: structure given in first source; RN given refers to cpd without isomeric designation | hydroxycinnamic acid | |
Isoliquiritigenin 4,4'-dimethyl ether | chalcones | ||
2-amino-6-chloropurine | 6-chloroguanine : An organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6. 6-chloroguanine: an antimalarial that inhibits hypoxanthine-guanine-xanthine phosphoribosyltransferase; structure in first source | 2-aminopurines; organochlorine compound | |
batimastat | batimastat : A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor. batimastat: structure given in first source; a synthetic matrix metalloproteinase inhibitor | hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor |
2-Phenylethyl 3-phenyl-2-propenoate | cinnamate ester | ||
grifolin | grifolin: antibiotic isolated from Grifola confluens | sesquiterpenoid | |
2-(4-(dimethylamino)styryl)benzothiazole | 2-(4-(dimethylamino)styryl)benzothiazole: structure in first source | ||
3,3',4,5'-tetramethoxy-trans-stilbene | (E)-3,4,3',5'-tetramethoxystilbene: from the leaves of Eugenia rigida; structure in first source | ||
3,4',5-trimethoxystilbene | 3,4',5-trimethoxystilbene: structure in first source | ||
(5R)-3'-phenyl-1-(phenylmethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione | piperazines | ||
(3S,3'aR,8'aS,8'bS)-5-ethyl-2'-(phenylmethyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione | amino acid amide | ||
3,7-dihydroxyflavone | 3,7-dihydroxyflavone: structure in first source 7-hydroxyflavonol : Any flavonol carrying a 7-hydroxy substituent. | hydroxyflavan | |
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 | |||
cisplatin | diamminedichloroplatinum | antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent | |
huperzine b | huperzine B: Chinese drug isolated from Huperzia serrata; structure given in first source; also isolated from Phlegmariurus fordii | phenanthrol | |
enalaprilat anhydrous | enalaprilat (anhydrous) : Enalapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid. Enalaprilat is an angiotensin-converting enzyme (ACE) inhibitor and is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is given by intravenous injection, usually as the dihydrate. enalaprilat dihydrate : The dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection. Enalaprilat: The active metabolite of ENALAPRIL and one of the potent, intravenously administered, ANGIOTENSIN-CONVERTING ENZYME INHIBITORS. It is an effective agent for the treatment of essential hypertension and has beneficial hemodynamic effects in heart failure. The drug produces renal vasodilation with an increase in sodium excretion. | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
bergamottin | bergamottin: constituent of bergamot oil; structure given in first source | furanocoumarin | metabolite |
pinostilbene | 3-methoxy-4',5-dihydroxy-trans-stilbene : A stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether. pinostilbene: structure in first source | stilbenol | |
pepstatin | pepstatin: inhibits the aspartic protease endothiapepsin | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
pd 144795 | |||
sequoiaflavone | sequoiaflavone: Isolated from Ginkgo biloba; structure in first source | ||
lofepramine hydrochloride | |||
w-13 | |||
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one | 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one : An organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively. 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one: a janus-activated kinase inhibitor | organic heterotetracyclic compound; organofluorine compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
vx680 | N-arylpiperazine | ||
n'-((1e)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazide | N'-((1E)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazide: structure in first source | ||
methylbenzethonium chloride | alkylbenzene | ||
mimulone | mimulone: structure in first source | ||
gi 129471 | GI 129471: metalloprotease inhibitor that blocks TNF-alpha secretion; structure given in first source | ||
derrubone | derrubone: an inhibitor of the Hsp90 protein folding machinery from Derris robusta; structure in first source | isoflavanones | |
4-hydroxylonchocarpin | 4-hydroxylonchocarpin: structure in first source | ||
gw-5074 | |||
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 | |
phenyl-3-methoxy-4-hydroxystyryl ketone | phenyl-3-methoxy-4-hydroxystyryl ketone: structure given in first source | ||
3,5-dihydroxy-4'-methoxystilbene | 4'-methoxyresveratrol: has anti-inflammatory effects in cell culture model | ||
2-((4-pyridyl)methyl)amino-n-(3-(trifluoromethyl)phenyl)benzamide | 2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide: an antiangiogenic VEGF receptor kinase inhibitor with antineoplastic activity; structure in first source | ||
isonitrosoacetone | 2-oxopropanal-1-oxime: structure given in first source | ||
diacetylmonoxime | diacetylmonoxime : A ketoxime obtained via formal condensation of butane-2,3-dione with hydroxylamine. It is a reversible myosin ATPase inhibitor. diacetylmonoxime: used diagnostically for determining urea in blood; structure; myosin ATPase antagonist | ||
GSK3-XIII | GSK3-XIII : A member of the class of aromatic amines that is ammonia with two of the hydrogens replaced by 5-methylpyrazol-3-yl and 2-phenylquinazolin-4-yl groups. | aromatic amine; pyrazoles; quinazolines; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
cyc 116 | 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source | ||
ciproxifan | aromatic ketone | ||
cinalukast | cinalukast : 2,2-Diethylsuccinanilic acid substituted at a meta- position by an (E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl group. It selectively antagonizes leukotriene D4 at the cysteinyl leukotriene receptor, in the human airway, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. It is used in the treatment of asthma. cinalukast: structure given in first source; orally active LTD4 antagonist; an anti-asthmatic agent | 1,3-thiazoles; carboxylic acid | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
mofegiline | |||
1,2-dihydroxy-4-(nitroethenyl)benzene | 1,2-dihydroxy-4-(nitroethenyl)benzene: isolated from Streptomyces lavendulae | ||
caftaric acid | hydroxycinnamic acid | ||
everolimus | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor | |
ekb 569 | EKB 569: an EGF receptor kinase inhibitor | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
axitinib | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist | |
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. | ||
4,5-di-O-caffeoylquinic acid | quinic acid | ||
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. | ||
daurichromenic acid | daurichromenic acid: structure in first source | ||
methyl chlorogenate | methyl chlorogenate: from Eriobotrya japonica; structure in first source | quinic acid | |
clovamide | clovamide: RN given for (Z)-isomer; structure in first source | tyrosine derivative | |
manzamine a | manzamine A : An alkaloid of the class of beta-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). manzamine A: RN given refers to (1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*)-isomer; RN for cpd without isomeric designation not avail 12/92 | alkaloid; beta-carbolines; isoquinolines | animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite |
a 419259 | |||
a 77636 | (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol : An isochromene that is 3,4-dihydroisochromene-5,6-diol bearing additional aminomethyl and 1-adamantyl substituents at positions 1 and 3 respectively (the 1R,3S-diastereomer). Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo. A 77636: structure given in first source; a selective dopamine D1 receptor agonist | adamantanes; catechols; isochromenes; primary amino compound | antiparkinson drug; dopamine agonist |
b 43 | RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively). | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
gw2974 | GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2 | pyridopyrimidine | |
l 162313 | L 162313: a biphenylimidazole derivative; a non-peptide angiotensin agonist; no further information available 2/95 | ||
sb 222200 | quinolines | ||
suloctidil | Suloctidil: A peripheral vasodilator that was formerly used in the management of peripheral and cerebral vascular disorders. It is hepatotoxic and fatalities have occurred. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1312) | ||
am 404 | anilide | ||
omdm-2 cpd | OMDM-2 cpd: structure in first source | ||
sb 334867-a | 1-(2-methylbenzoxazol-6-yl)-3-(1,5)naphthyridin-4-yl urea: selective OX1 receptor antagonist | naphthyridine derivative | |
aminopurvalanol a | aminopurvalanol A: casein kinase I alpha inhibitor; structure in first source | monochlorobenzenes; purvalanol | protein kinase inhibitor |
bvt.948 | |||
Retusin 7-Methyl Ether | methoxyisoflavone | ||
cgp 53353 | 4,5-bis(4-fluoroanilino)phthalimide: structure in first source | phthalimides | |
Garcinolic acid | pyranoxanthones | ||
ik 682 | IK 682: inhibits TNF-alpha converting enzyme; structure in first source | hydroxamic acid; pyrrolidin-2-ones; quinolines | |
cilansetron | cilansetron: structure given in first source; binds to 5-HT(3) receptors | ||
edelfosine | (R)-edelfosine : A 1-octadecyl-2-methylglycero-3-phosphocholine that is the (R)-enantiomer of edelfosine. | 1-octadecyl-2-methylglycero-3-phosphocholine | |
temsirolimus | macrolide lactam | ||
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 |
pd 184352 | 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source | aminobenzoic acid | |
ucb 35625 | UCB 35625: J-113863 is the (trans)-isomer; structure in first source | ||
vildagliptin | amino acid amide | ||
indacaterol | indacaterol : A monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease. indacaterol: a beta2 adrenoceptor agonist; indacaterol is the (R)-isomer; structure in first source | indanes; monohydroxyquinoline; quinolone; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent |
talabostat | talabostat: an antineoplastic agent; structure in first source | ||
pep005 | 3-ingenyl angelate: protein kinase C agonist and antineoplastic; structure in first source | ||
on 01910 | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine : A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group. ON 01910: a Plk1 inhibitor with antineoplastic activity; structure in first source rigosertib : An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties. | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent |
corosolic acid | triterpenoid | metabolite | |
meso-1,2-diphenylethylenediamine | meso-1,2-diphenylethylenediamine: structure | ||
eupatorin-5-methyl ether | eupatorin-5-methyl ether: has antineoplastic activity; structure in first source | ||
a 770041 | aromatic amide | ||
bis(7)-tacrine | secondary amino compound | apoptosis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent | |
c 1368 | |||
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 | |
cyclophostin | cyclophostin: from Streptomyces lavendulae; structure given in first source | ||
lassbio 294 | |||
sulphostin | sulphostin: isolated from Streptomyces; structure in first source | ||
nvp-dpp728 | |||
jnj 10198409 | |||
birt 377 | |||
phenethylcymserine | phenethylcymserine: structure in first source | ||
av 412 | |||
telatinib | |||
edotecarin | |||
y-39983 | Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first source | pyrrolopyridine | |
bimosiamose | bimosiamose: a selectin inhibitor | ||
cp 547632 | 3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source | ||
bms345541 | 4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first source | quinoxaline derivative | |
ganstigmine | ganstigmine: structure in first source | ||
sb 223245 | |||
lenvatinib | lenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
tak 029 | TAK 029: structure in first source | ||
ro 32-3555 | Ro 32-3555: structure given in first source | ||
17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'-guanidinyl-3,14-dihydroxyindolo(2',3'-6,7)morphinan | |||
gw843682x | (trifluoromethyl)benzenes | ||
pd 0325901 | mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer). | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
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 |
2-(4'-methylaminophenyl)benzothiazole | 2-(4'-methylaminophenyl)benzothiazole: binds amyloid-beta fibrils; structure in first source | ||
4-[(4-methylphenyl)thio]-2-thieno[2,3-c]pyridinecarboxamide | aryl sulfide | ||
sb 297006 | SB 297006: a CC chemokine receptor-3 antagonist that inhibits binding of eotaxin and monocyte chemotactic protein-4 to eosinophils; structure in first source | ||
ap 2238 | |||
a 286982 | A 286982: inhibits the interaction between leukocyte function-associated antigen-1 and intracellular adhesion molecule-1; structure in first source | ||
bms561392 | BMS561392: structure in first source | ||
px-866 | PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine. PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source | acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
cyclic(arg-gly-asp-d-phe-val) | |||
mk-0429 | |||
gentamicin sulfate | |||
sb 242235 | SB 242235: p38 MAP kinase antagonist | ||
ripasudil | isoquinolines | ||
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 |
osi 930 | OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source | aromatic amide | |
sb 273005 | |||
ki 20227 | |||
scio-469 | SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004 talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
cp 724714 | 2-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent |
sb 3ct compound | SB 3CT compound: a matrix metalloproteinase-2 inhibitor; structure in first source | aromatic ether | |
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 |
hmn-214 | (E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source | ||
vuf 2274 | 5-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile: an inverse agonist of human cytomegalovirus; structure in first source | ||
ct52923 | CT52923: structure in first source | ||
ngb 2904 | NGB 2904: a dopamine D3 receptor antagonist; structure in first source | fluorenes | |
y 27632, dihydrochloride, (4(r)-trans)-isomer | |||
ro 31-9790 | Ro 31-9790: hydroxamic acid derivative | ||
cymserine | cymserine: butyrylcholinesterase inhibitor; structure in first source | ||
fty 720p | fingolimod phosphate : A primary amino compound that is fingolimod in which one on the hydroxy groups has been converted into its dihydrogen phosphate derivative. It is the active metabolite of fingolimod. | monoalkyl phosphate; primary alcohol; primary amino compound | antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist |
tivozanib | N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source | aromatic ether | |
tr 14035 | N-(2,6-dichlorobenzoyl)-4-(2',6'-bismethoxyphenyl)phenylalanine: TR-14035 is the (L)-isomer; an antagonist of both alpha4beta1 and beta7 integrins; structure in first source | ||
hki 272 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor | |
memoquin | memoquin: structure in first source | ||
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 |
tolserine | tolserine: structure in first source | ||
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | |||
pifithrin-alpha | |||
arginyl-glycyl-aspartyl-valine | |||
cediranib | aromatic ether | ||
ap23464 | AP23464: a potent adenosine 5'-triphosphate (ATP)-based inhibitor of Src and Abl kinases | ||
pf9601n | |||
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride | |||
ps1145 | PS1145: IkappaB kinase inhibitor; structure in first source | beta-carbolines | |
bio 1211 | BIO 1211: integrin alpha4beta1 inhibitor; structure in first source | ||
bryostatin 10 | bryostatin 10: isolated from Bugula neritina; structure in first source | ||
pp-33 | |||
chf 5074 | 1-(3',4'-dichloro-2-fluoro(1,1'-biphenyl)-4-yl)cyclopropanecarboxylic acid: a beta-amyloid(1-42) lowering agent; structure in first source | ||
incb3344 | INCB3344: potent and selective small molecule CCR2 chemokine receptor antagonist | ||
endophenazine a | endophenazine A: a phenazine antibiotic from the arthropod; structure in first source | ||
arp-100 | |||
caproctamine | caproctamine: an M1 and M3 receptor antagonist; also inhibits acetylcholinesterase; structure in first source | ||
masitinib | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor | |
bx795 | BX795: structure in first source | ureas | |
arl-67156 | 6-N,N-diethyl-beta,gamma-dibromomethylene-D-ATP: an inhibitor of ecto-ATPase | ||
propyl caffeate | propyl caffeate: has antioxidant activity; structure in first source | ||
ly-2157299 | LY-2157299 : A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. LY-2157299: an orally active transforming growth factor beta receptor (TGF-beraR) kinase inhibitor | aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines | antineoplastic agent; TGFbeta receptor antagonist |
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 |
8-azanebularine | 8-azanebularine: structure in first source | ||
huprine y | huprine Y: structure in first source | ||
pazopanib | pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer. pazopanib: a protein kinase inhibitor | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
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 |
4-(6-iodo-2-imidazo[1,2-a]pyridinyl)-N,N-dimethylaniline | imidazoles | ||
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 | ||
alanylpyrrolidine-boronic acid | |||
2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole | |||
n-caffeoyldopamine | N-caffeoyldopamine: structure in first source | ||
bibw 2992 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor | |
hupc protein, bacteria | hupC protein, Bacteria: from structural operon of Rhizobium leguminosarum bv. viciae; MW 27.9 kDa; has hydrogenase activity; amino acid sequence given in first source | ||
jte 013 | JTE 013: an Edg-5 antagonist JTE-013 : A semicarbazide derivative that is semicarbazide in which the amino group at position 2 is replaced by a [1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]amino group and the amino group adjacent to the carbonyl is replaced by a (2,6-dichloropyridin-4-yl)amino group. It is a potent S1P2 antagonist (IC50 = 17.6 nM). | chloropyridine; pyrazolopyridine | anti-asthmatic agent; anti-inflammatory agent; antineoplastic agent; osteogenesis regulator; pro-angiogenic agent; sphingosine-1-phosphate receptor 2 antagonist |
arisugacin | arisugacin A : An organic heterotetracyclic compound that is 4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione substituted by 3,4-dimethoxyphenyl group at position 9 (the 4aR,6aR,12aS,12bS steroisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase. arisugacin: isolated from Penicillium sp. FO-4259; structure given in first source | aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol | antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite |
binimetinib | binimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib. | benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sotrastaurin | sotrastaurin : A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients. sotrastaurin: a potent protein kinase C-selective inhibitor; structure in first source | indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines | anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent |
aee 788 | AEE 788: structure in first source | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug |
saracatinib | aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound | anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent | |
vx 702 | VX 702: a p38 MAP kinase inhibitor | phenylpyridine | |
crenolanib | aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
6-chlorotacrine | 6-chlorotacrine: structure given in first source | ||
phakellistatin 2 | phakellistatin 2: isolated from the marine sponge Phakellia carteri; 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 | |
cc 401 | CC 401: an anthrapyrazolone | pyrazoles; ring assembly | |
bms 599626 | |||
exel-7647 | tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties. | ||
volasertib | BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source | ||
pha 665752 | dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
4-Methoxylonchocarpin | chalcones | ||
sb 328437 | SB 328437: a CC chemokine receptor-3 antagonist that inhibits binding of eotaxin and monocyte chemotactic protein-4 to eosinophils; structure in first source | ||
l 783277 | |||
bryostatin 16 | bryostatin 16: from Bugula neritina; structure given in first source | ||
ly 338522 | LY 338522: des-methyl metabolite of LY333531; structure in first source | ||
vl-0395 | VL-0395: structure in first source | ||
xanthostigmine | xanthostigmine: structure in first source | ||
PDGF receptor tyrosine kinase inhibitor III | PDGF receptor tyrosine kinase inhibitor III : An N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a (4-phenoxyphenyl)aminocarbonyl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a 6,7-dimethoxyquinazolin-4-yl group. It is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
ucn 1028 c | calphostin C: structure given in first source; isolated from Cladosporium cladosporioides | ||
montanine | montanine: has anxiolytic, antidepressant, and anticonvulsant activities | ||
azd 7762 | aromatic amide; thiophenes | ||
regorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor | |
kyp 2047 | |||
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 | ||
uamc00039 | UAMC00039: dipeptidyl peptidase II inhibitor; structure in first source | ||
brivanib | aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist | |
bms 477118 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent | |
dutogliptin | |||
amd 070 | mavorixafor: a derivative of AMD3100; a CXCR4 blocker | aminoquinoline | |
auy 954 | AUY 954: an S1P(1) receptor agonist; structure in first source | ||
mp470 | N-arylpiperazine | ||
rgb 286638 | |||
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 |
np 031112 | tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy. tideglusib: an NSAID and neuroprotective agent | benzenes; naphthalenes; thiadiazolidine | anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
at 7519 | 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine. | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
bms-690514 | |||
ponesimod | ponesimod: structure in first source | ||
bi 2536 | |||
lipocrine | lipocrine: anti-Alzheimer's drug; structure in first source | ||
inno-406 | biaryl | ||
r 1487 | |||
nvp-ast487 | NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells | ||
Dihydrotanshinone I | dihydrotanshinone I: extracted from Radix Salviae | abietane diterpenoid | anticoronaviral agent |
kw 2449 | KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source | ||
danusertib | piperazines | ||
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 |
fty 720p | |||
apratastat | apratastat: structure in first source | sulfonamide | |
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide | benzamides | ||
nvp-aew541 | |||
abt 869 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
azd 8931 | sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3. | aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
arq 197 | indoles | ||
azd 1152 | AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
bay94 9172 | florbetaben ((18)F) : A member of the class of stilbenoids in which the para-hydrogens of stilbene are replaced by methylamino and 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy) groups. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease. | (18)F radiopharmaceutical; aromatic ether; polyether; secondary amino compound; stilbenoid; substituted aniline | radioactive imaging agent |
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 |
gosogliptin | amino acid amide | ||
ridaforolimus | macrolide lactam | ||
dorsomorphin | dorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling. dorsomorphin: an AMPK inhibitor | aromatic ether; piperidines; pyrazolopyrimidine; pyridines | bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor |
ch 4987655 | |||
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamide | phenylpyridine | ||
mrk 560 | MRK 560: a gamma-secretase inhibitor; MRK-560 is the (cis)-isomer; structure in first source | ||
VPC 23019 | VPC 23019 : A secondary carboxamide resulting from the formal condensation of the carboxy group of O-phospho-D-serine with the amino group of m-octylaniline. An analogue of sphingosine-1-phosphate (S1P), it is a potent antagonist for both S1P1 and S1P3 receptors. It can inhibit S1P-induced migration of thyroid cancer cells, ovarian cancer cells, and neural stem cells. VPC23019: inhibits S1P3 receptor; structure in first source | aromatic amide; D-serine derivative; organic phosphate; phosphoric ester; secondary carboxamide | sphingosine-1-phosphate receptor 1 antagonist; sphingosine-1-phosphate receptor 3 antagonist |
gw9508 | GW9508: structure in first source | aromatic amine | |
cc-930 | |||
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 | ||
incb3619 | INCB3619: ADAM inhibitor; structure in first source | ||
idelalisib | idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
crizotinib | crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC) Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER. | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide | Vx-11e: ERK1-2 inhibitor | aromatic amide; heteroarene | |
osi 906 | cyclobutanes; quinolines | ||
chir-265 | aromatic ether | ||
motesanib | pyridinecarboxamide | ||
fostamatinib | fostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406 | ||
trametinib | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector | |
mln8054 | benzazepine | ||
pf-562,271 | indoles | ||
pha 767491 | PHA 767491: a Cdc7 inhibitor; structure in first source | pyrrolopyridine | |
GDC-0879 | indanes; ketoxime; primary alcohol; pyrazoles; pyridines | antineoplastic agent; B-Raf inhibitor | |
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 | ||
diosgenin glucoside | diosgenin 3-O-beta-D-glucoside : A sterol 3-beta-D-glucoside having diosgenin as the sterol component. diosgenin glucoside: RN given refers to (3beta,25R)-isomer; structure given in first source | hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside | metabolite |
N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) ester | piperazines | ||
teneligliptin | amino acid amide | ||
jnj-26483327 | JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010 | ||
ly2603618 | ureas | ||
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 | |
digitoxigenin monodigitoxoside | digitoxigenin monodigitoxoside: RN given refers to (ribo-3beta,5beta)-isomer | ||
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 |
tg100801 | |||
dactolisib | dactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment. dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
cs-2100 | |||
bgt226 | BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor. BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor. | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
psi 697 | 2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid: inhibitor of P selectin that decreases vein wall injury in a rat stenosis model of venous thrombosis | ||
[9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone | aromatic ketone; quinolines | ||
4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester | benzoate ester | ||
evomonoside | evomonoside : A cardenolide glycoside consisting of digitoxigenin having an alpha-L-rhamnosyl moiety attached at the O(3)-position. evomonoside: a cytotoxic cardiac glycoside from Lepidium apetalum; RN refers to (3beta,5beta)-isomer | cardenolide glycoside | |
ganodermadiol | ganodermadiol: isolated from Ganoderma lucidum; structure given in first source ganoderol B : A tetracyclic triterpenoid that is lanosta-7,9(11),24-triene which is substituted by hydroxy groups at positions 3 and 27. It has been isolated from several Ganoderma species. | 3beta-sterol; primary allylic alcohol; tetracyclic triterpenoid | antiviral agent; fungal metabolite; hepatoprotective agent |
lucidenic acid a | lucidenic acid A: isolated from fruiting bodies of Ganoderma lucidum; structure in first source | triterpenoid | |
hypocrellin a | hypocrellin A: isolated from fungus Hypocrella bambusae sacc | ||
6-methoxydihydrosanguinarine | 6-methoxydihydrosanguinarine: from Corydalis tashiroi (Fumariaceae); structure in first source | ||
n-trans-p-coumaroyl-l-tyrosine | N-trans-p-coumaroyl-L-tyrosine: from Theobroma cacao; structure in first source | tyrosine derivative | |
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamide | C-nitro compound | ||
vizamyl | flutemetamol ((18)F) : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by 3-((18)F)fluoro-4-(methylamino)phenyl and hydroxy groups at positions 3 and 6 respectively. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease. | (18)F radiopharmaceutical; aromatic amine; benzothiazoles; secondary amino compound | radioactive imaging agent |
gsk 461364 | GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1 | (trifluoromethyl)benzenes | |
trelagliptin | trelagliptin: a dipeptidyl peptidase IV inhibitor | benzenes; nitrile | |
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 | |
2-(2-methoxyanilino)-8-[(3-methyl-1-piperidinyl)-oxomethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one | N-acylpiperidine | ||
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 |
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)thio]-N-(3-methoxypropyl)acetamide | acridines | ||
5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(phenylmethyl)butanamide | benzoxazine | ||
N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | sulfonamide | ||
[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 | ||
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluorophenyl)propanamide | anilide | ||
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamide | anilide | ||
3,5-dimethoxy-N-[1-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]benzamide | quinolines | ||
nvp-tae684 | piperidines | ||
a 803467 | A 803467: an Nav1.8 sodium channel blocker; structure in first source | ||
enmd 2076 | ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities | ||
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide | 4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source | ||
e 7050 | aromatic ether | ||
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone | pyrazolopyridine | ||
tak-901 | |||
complestatin | chloropeptin II : A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. complestatin: compound extracted from Streptomyces lavendulae mycelia; on acid hydrolysis yields D-4-hydroxyphenylglycine & D-3,5-dichloro-4-hydroxyphenylglycine & acidic chromophore; inhibits gp120-CD4 binding isocomplestatin : A heterodetic cyclic peptide which is a atropisomer of complestatin. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. | cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol | anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite |
msh, 4-nle-7-phe-alpha- | polypeptide | dermatologic drug | |
pamapimod | pamapimod : A member of the class of pyridopyrimidines that is 8-methylpyrido[2,3-d]pyrimidin-7(8H)-one carrying additional (1,5-dihydroxypentan-3-yl)amino and 2,4-difluorophenoxy substituents at positions 2 and 6 respectively. It is a potent inhibitor of MAPK and is used for treatment of rheumatoid arthritis. | aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound | antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
gdc-0973 | cobimetinib : A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. cobimetinib: has antineoplastic activity; structure in first source | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
buparlisib | NVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first source | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
azd 1480 | |||
azd8330 | pyridinecarboxamide | ||
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 | |
thimerosal | thimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent. Thimerosal: An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate. | alkylmercury compound | antifungal drug; antiseptic drug; disinfectant; drug allergen |
pha 848125 | N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor | ||
ro5126766 | CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3. RO5126766: a dual MEK/RAF kinase inhibitor | aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
fedratinib | fedratinib: a selective small-molecule inhibitor of JAK2 | sulfonamide | |
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 | |
14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene | 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source | ||
nvp-bhg712 | benzamides | ||
azd5438 | sulfonamide | ||
nsc 23766 | NSC 23766 trihydrochloride : A hydrochloride resulting from the formal reaction of NSC 23766 with 3 mol eq. of hydrogen chloride. An inhibitor of the signalling G-protein known as RAC1 (Ras-related C3 botulinum toxin substrate 1). Rac1 inhibitor : Any inhibitor of Rac1. | hydrochloride | antiviral agent; apoptosis inducer; EC 3.6.5.2 (small monomeric GTPase) inhibitor; muscarinic antagonist |
pf 04217903 | quinolines | ||
gdc 0941 | pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring. | indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
lucidenic acid n | lucidenic acid N : A tetracyclic triterpenoid that is 25,26,27-trinorlanost-8-en-24-oic acid substituted by hydroxy groups at positions 3 and 7 and oxo groups at positions 11 and 15 respectively (the 3beta,5alpha,7beta stereoisomer). Isolated from the fruiting bodies of Ganoderma lucidum, it exhibits cytotoxicity against tumour cells. lucidenic acid N: from the dried fruiting bodies of Ganoderma lucidum (polyporaceae); structure in first source | cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid | antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite |
icotinib | |||
ph 797804 | PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. PH 797804: an NSAID; structure in first source | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
kx-01 | |||
halisulfate 1 | halisulfate 1: an isocitrate lyase inhibitor sesterterpene sulfate from sponge, Hippospongia sp.; structure in first source | organic molecular entity | metabolite |
u 63557a | |||
meclofenamate sodium anhydrous | sodium meclofenamate monohydrate : A hydrate that is the monohydrate of the sodium salt of meclofenamic acid. It is used for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. | hydrate | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
tanshinone ii a sodium sulfonate | tanshinone II A sodium sulfonate: has cardioprotective activity; water-soluble derivative of tanshinone II A; isolated from Salvia militiorrhiza; relieves anginal pain; structure | ||
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 |
mk 5108 | aromatic ether | ||
cx 4945 | |||
fps-zm1 | FPS-ZM1: a neuroprotective agent and RAGE receptor antagonist; structure in first source | ||
cudc 101 | 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source | ||
amg 458 | 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide: a c-met inhibitor; structure in first source | ||
arry-614 | pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein | ||
tak 593 | TAK 593: structure in first source | ||
mln 8237 | MLN 8237: an aurora kinase A inhibitor | benzazepine | |
sgx 523 | aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine | c-Met tyrosine kinase inhibitor; nephrotoxic agent | |
bms 754807 | BMS 754807: an IGR-1R kinase inhibitor; structure in first source | pyrazoles; pyridines; pyrrolidines; pyrrolotriazine | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
bms 777607 | N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first source | aromatic amide | |
sgi 1776 | SGI 1776: a Pim kinase inhibitor; structure in first source | imidazoles | |
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 |
florbetapir f 18 | florbetapir F-18 : An aromatic ether consisting of a pyridine ring substituted at position 2 by a 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy group and at position 5 and a 2-(4-methylaminophenyl)vinyl group. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease. florbetapir: a PET agent for Abeta plaques; structure in first source | (18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline | radioactive imaging agent |
ponatinib | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor | |
amg 900 | N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source | ||
mk-1775 | adavosertib: a Wee1 kinase inhibitor; structure in first source | piperazines | |
AMG-208 | aromatic ether; quinolines; triazolopyridazine | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
ucl 2077 | benzenoid aromatic compound | ||
quizartinib | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor | |
azd4694 | AZD4694: an Abeta plaque neuroimaging PET radioligand; structure in first source | ||
PP121 | aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor | |
at13148 | |||
ar 231453 | |||
amg 487 | |||
tak 733 | |||
mk 2206 | MK 2206: a protein kinase inhibitor and antineoplastic agent | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
sns 314 | SNS 314: an aurora kinase inhibitor; structure in first source | ureas | |
lucitanib | E-3810 : A hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor E-3810 free base : A naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine. E-3810: a multi-kinase inhibitor with antineoplastic activity; structure in first source | aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines | antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist |
pf-04691502 | |||
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | momelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis. N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source | aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound | anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
dcc-2036 | rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor |
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 |
cym-5442 | oxadiazole; ring assembly | ||
defactinib | |||
ly2584702 | |||
incb-018424 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | |
poziotinib | HM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric cancer | acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist |
asp3026 | ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties. ASP3026: an anaplastic lymphoma receptor tyrosine kinase inhibitor; structure in first source | aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone | antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
entrectinib | entrectinib : A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours. entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source | benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide | antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pexidartinib | pexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT). pexidartinib: inhibits both CSF1R and c-kit receptor tyrosine kinase; structure in first source | aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
TAK-580 | MLN 2480: brain-penetrant RAF dimer antagonist TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
gsk 2126458 | omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors. omipalisib: inhibitor of mTOR protein | aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide | anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent |
emd1214063 | tepotinib: MET inhibitor | ||
gsk 1838705a | organonitrogen compound; organooxygen compound | ||
pf 3758309 | PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
gdc 0980 | |||
3-(1-(3-(biphenyl-4-ylamino)-3-oxopropyl)-1h-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid | 3-(1-(3-(biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid: an SHP2 inhibitor; structure in first source | ||
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 |
plx4032 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor | |
gsk 1363089 | GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first source | aromatic ether | |
arry-334543 | ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source | ||
kin-193 | pyridopyrimidine | ||
mk 2461 | |||
biselyngbyaside | biselyngbyaside: antineoplastic from the marine cyanobacterium Lyngbya sp.; structure in first source | ||
6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile | 6-aminopurines | ||
8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethyl-4-piperidinyl)-4-triazolyl]methylamino]-3-quinolinecarbonitrile | aminoquinoline | ||
bay 869766 | |||
as 703026 | pyridinecarboxamide | ||
baricitinib | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent | |
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester | WYE-354: an mTOR inhibitor; structure in first source | carbamate ester | |
grassystatin a | grassystatin A: isolated from a cyanobacterium, identified as Lyngbya cf.; structure in first source | ||
debromoaplysiatoxin | debromoaplysiatoxin : A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. debromoaplysiatoxin: sea algae toxin from lyngbya majuscula.; structure | aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal | algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist |
galactocerebroside | galactocerebroside: a NITROGEN containing sphingolipid | ||
p505-15 | |||
dabrafenib | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor | |
mrt67307 | MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source | aromatic amine | |
as1949490 | |||
anagliptin | anagliptin: anagliptin hydrochloride salt is the active compound | amino acid amide | |
pki 587 | gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source | ||
4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide | 4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide: a protein kinase inhibitor; structure in first source | ||
siponimod | siponimod: S1P receptor modulator | ||
n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | merestinib: in phase I clinical trials (2013); structure in first source | ||
thiopental sodium | organochlorine compound; piperazines; pyrimidines | antineoplastic agent; tyrosine kinase inhibitor | |
ribociclib | ribociclib: inhibits both CDK4 and CDK6 | ||
(E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene | (E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene : An organobromine compound that is bromobenzene in which the hydrogens at positions 2 and 5 are replaced by 4-hydroxystyryl groups. | organobromine compound; polyphenol | fluorescent dye |
mk-8033 | 1-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide: inhibits both Ron and c-Met kinases; structure in first source | ||
kb-nb142-70 | kb-NB142-70: inhibitor of protein kinase D; structure in first source | ||
bay 1000394 | roniciclib: an antineoplastic agent that inhibits cyclin-dependent kinases; structure in first source | ||
pha 793887 | piperidinecarboxamide | ||
nps-1034 | NPS-1034: a protein kinase inhibitor that acts on MET and AXL; 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 |
sb 1518 | |||
abemaciclib | |||
mk-8776 | |||
afuresertib | amphetamines | ||
gsk 1070916 | GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activity | pyrazoles; ring assembly | |
rn486 | RN486: a selective Bruton's tyrosine kinase inhibitor | ||
jnj38877605 | quinolines | ||
dinaciclib | pyrazolopyrimidine | ||
nms p937 | NMS P937: a polo-like kinase 1 inhibitor; structure in first source | ||
gilteritinib | gilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation. gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor | aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
alectinib | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
glpg0634 | |||
nms-p118 | NMS-P118: a PARP-1 inhibitor; structure in first source | ||
kaf156 | ganaplacide: antimalarial | ||
encorafenib | encorafenib: a BRAF inhibitor | ||
bms-911543 | N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide: has antineoplastic activity; structure in first source | ||
gsk2141795 | GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source | ||
azd8186 | |||
bix 02565 | |||
unc569 | UNC569: an antineoplastic agent that inhibits Mer protein; structure in first source | ||
ass234 | |||
7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1h-indol-5-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine | 7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine: inhibits protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK); structure in first source | ||
raltegravir | 1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide | antiviral drug; HIV-1 integrase inhibitor | |
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 |
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 | |
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)-3-quinolinecarboxamide | aromatic amide | ||
4-hydroxy-2-oxo-1-propyl-N-(pyridin-4-ylmethyl)-3-quinolinecarboxamide | aromatic amide; quinolines | ||
lfm a13 | LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties. | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
robustic acid | robustic acid: structure in first source | isoflavonoid; organic hydroxy compound | |
mobiflex | tenoxicam : A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries. | heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
isoxicam | isoxicam : A monocarboxylic acid amide that is piroxicam in which the pyrid-2-yl group is replaced by a 5-methyl-1,2-oxazol-3-yl group. A non-steroidal anti-inflammatory drug, it was withdrawn from the market in the 1980s following its association with cases of Stevens-Johnson syndrome. | benzothiazine; isoxazoles; monocarboxylic acid amide | antirheumatic drug; non-steroidal anti-inflammatory drug |
4-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-2-one | hydroxycoumarin | ||
urmc-099 | URMC-099: inhibits mixed lineage kinase 3 | ||
on123300 | ON123300: a protein kinase inhibitor; structure in first source | ||
byl719 | proline derivative | ||
cep-32496 | agerafenib: inhibitor of RAF family kinases; structure in first source | ||
cep-28122 | CEP-28122: inhibits anaplastic lymphoma kinase; structure in first source | ||
rociletinib | rociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source | ||
ceritinib | ceritinib : A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer. ceritinib: an anaplastic lymphoma kinase inhibitor | aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
ganoderic acid y | ganoderic acid Y: has antiviral activity; isolated from Ganoderma lucidum; structure in first source | triterpenoid | |
azd1208 | |||
cc-292 | spebrutinib: inhibits Bruton's tyrosine kinase; structure in first source | ||
vx-509 | |||
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 | |
unc1062 | UNC1062: structure in first source | ||
volitinib | |||
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 |
trp-lys-tyr-met-val-met | Trp-Lys-Tyr-Met-Val-Met: a synthetic peptide, stimulates phosphoinositide hyrolysis in human leukocytes | ||
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 |
bmx-in-1 | BMX-IN-1: a BMX tyrosine kinase inhibitor; structure in first source | ||
ly3009120 | LY3009120 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAF(V600E), BRAF(WT) and CRAF(WT) (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties. LY3009120: a pan-RAF inhibitor; structure in first source | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor |
pf-06463922 | lorlatinib : A cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer. lorlatinib: inhibits both anaplastic lymphoma kinase and c-ros oncogene 1 (ROS1) protein | aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
9-(1-methyl-4-pyrazolyl)-1-[1-(1-oxoprop-2-enyl)-2,3-dihydroindol-6-yl]-2-benzo[h][1,6]naphthyridinone | naphthyridine derivative | ||
wz4003 | WZ4003: inhibits both NUAK1 and NUAK2; structure in first source | ||
DDR1-IN-1 | DDR1-IN-1 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the amino group of 5-(5-amino-2-methylphenoxy)-1,3-dihydro-2H-indol-2-one. It is a potent inhibitor of discoidin domain receptor tyrosine kinase 1 and 2 (DDR1/2) with IC50 = 105 nM and 413 nM, respectively. | (trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
unc2250 | UNC2250: a Mer kinase inhibitor; structure in first source | ||
unc2025 | UNC2025: inhibits both MER and FLT3 kinases; structure in first source | ||
azd3759 | |||
hth-01-015 | |||
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 |
donecopride | donecopride: a dual serotonin subtype 4 receptor agonist/acetylcholinesterase inhibitor with potential interest for Alzheimer's disease treatment; structure in first source | ||
unipr129 | UniPR129: an antiangiogenic agent that disrupts the interaction between EphA2 and ephrin-A1; structure in first source | ||
at 9283 | |||
otssp167 | OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity | ||
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 |
osi 027 | OSI 027: inhibits both mTORC1 and mTORC2; structure in first source | ||
diguanosine tetraphosphate | P(1),P(4)-bis(5'-guanosyl) tetraphosphate : A purine ribonucleoside 5'-tetraphosphate compound having 5'-guanosyl residues at the P(1)- and P(4)-positions. | guanosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate | Escherichia coli metabolite; mouse metabolite |
deoxyinosine | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite | |
guanosine diphosphate | Guanosine Diphosphate: A guanine nucleotide containing two phosphate groups esterified to the sugar moiety. | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
inosine | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
olanzapine | olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4. Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy. | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
pralidoxime | pralidoxime : A pyridinium ion that is 1-methylpyridinium substituted by a (hydroxyimino)methyl group at position 2. pralidoxime: RN given refers to parent cpd; chloride was minor descriptor (75-80); on-line & Index Medicus search PRALIDOXIME COMPOUNDS (66-80) | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
zaprinast | zaprinast: anaphylaxis inhibitor; structure | triazolopyrimidines | |
raltitrexed | N-acyl-amino acid | ||
kf38789 | KF38789: a non-carbohydrate low MW cpd that Inhibits P-selectin specific cell adhesion; structure in first source | ||
ro 3306 | RO 3306: structure in first source | ||
azaguanine | 8-azaguanine : A triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively. Azaguanine: One of the early purine analogs showing antineoplastic activity. It functions as an antimetabolite and is easily incorporated into ribonucleic acids. | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
hematein | hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. hematein: structure | ||
4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester | amidobenzoic acid | ||
pemetrexed | pemetrexed disodium : An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT). | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
tegaserod maleate | maleate salt | serotonergic agonist | |
hymenialdisine | |||
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide | quinazolines | ||
1-cyclopentyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)urea | quinazolines | ||
ag-879 | AG-879: structure given in first source | ||
hesperadin | |||
nintedanib | nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer. | ||
pyridine-2-aldoxime | pyridine-2-aldoxime: RN given refers to parent cpd | ||
N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamide | quinazolines | ||
adenallene | adenallene: structure given in first source; inhibits replication and cytopathic effects of HIV in vitro | ||
cnb 001 | |||
2-hydroxyphenazine | phenazines | ||
asoxime chloride | |||
pralidoxime chloride | organic chloride salt; pyridinium salt | cholinergic drug; cholinesterase reactivator | |
2-[(dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one | quinazolines | ||
discorhabdin l | discorhabdin L: cytotoxic alkaloid from the sponge Latrunculia brevis; structure in first source | ||
galloflavin | galloflavin: structure in first source | ||
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 |
alpha-cyclopiazonic acid | alpha-cyclopiazonic acids | ||
bay 80-6946 | copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies. copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source | ||
trimedoxime bromide | Trimedoxime: Cholinesterase reactivator used as an antidote in alkyl phosphate poisoning. | ||
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 |
obidoxime chloride | |||
nms-e973 | NMS-E973: structure in first source | ||
n(delta)-(5-methyl-4-oxo-2-imidazolin-2-yl)ornithine | N(delta)-(5-methyl-4-oxo-2-imidazolin-2-yl)ornithine: RN given for (L)-isomer; structure in first source | ||
crt 0066101 | CRT 0066101: protein kinase D inhibitor with antineoplastic activity |