Page last updated: 2024-10-24

Golgi lumen

Definition

Target type: cellularcomponent

The volume enclosed by the membranes of any cisterna or subcompartment of the Golgi apparatus, including the cis- and trans-Golgi networks. [GOC:mah]

The Golgi lumen is the internal space of the Golgi apparatus, a network of flattened membrane-bound sacs called cisternae. It is a distinct compartment within the cell, separated from the cytoplasm by the Golgi membrane. The Golgi lumen is involved in various essential cellular processes, including protein modification, sorting, and packaging.

**Key features of the Golgi lumen:**

* **Protein Modification:** The lumen contains enzymes that modify proteins, such as glycosylation, phosphorylation, and sulfation. These modifications are crucial for protein function and targeting.
* **Protein Sorting:** The lumen acts as a sorting station, directing proteins to their final destinations, such as the plasma membrane, lysosomes, or secretory vesicles.
* **Protein Packaging:** Proteins destined for secretion are packaged into vesicles within the Golgi lumen, which bud off from the trans-Golgi network and transport their cargo to the cell exterior.
* **Intracellular Signaling:** The lumen is involved in intracellular signaling pathways, particularly those related to protein trafficking and secretion.
* **pH Gradient:** The lumen maintains a distinct pH gradient compared to the cytoplasm, which is important for enzymatic activity and protein folding.
* **Presence of Chaperones:** The lumen contains molecular chaperones that assist in the proper folding and assembly of proteins.

**Cellular Components within the Golgi lumen:**

* **Enzymes:** A diverse array of enzymes responsible for protein modification, glycosylation, phosphorylation, sulfation, and other post-translational modifications.
* **Chaperones:** Proteins that assist in protein folding and prevent misfolding, ensuring proper protein function.
* **Transport Vesicles:** Small membrane-bound spheres that bud from the Golgi membrane, carrying proteins to their final destinations.
* **Glycans:** Sugars attached to proteins during glycosylation, which play a role in protein folding, stability, and targeting.
* **Other Molecules:** The lumen also contains other molecules, including lipids, ions, and small molecules, which contribute to its unique environment and function.

The Golgi lumen is a dynamic and essential cellular compartment that plays a crucial role in protein trafficking and secretion, ultimately contributing to the overall function of the cell.'
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Proteins (34)

ProteinDefinitionTaxonomy
Beta-caseinA beta-casein that is encoded in the genome of cow. [OMA:P02666, PRO:DAN]Bos taurus (cattle)
Protein Wnt-3aA protein Wnt-3a that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56704]Homo sapiens (human)
Proto-oncogene Wnt-3A proto-oncogene Wnt-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56703]Homo sapiens (human)
Matrix metalloproteinase-16A matrix metalloproteinase-16 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51512]Homo sapiens (human)
Matrix metalloproteinase-14A matrix metalloproteinase-14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50281]Homo sapiens (human)
Stromelysin-3A stromelysin-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24347]Homo sapiens (human)
Mucin-1A mucin-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P15941]Homo sapiens (human)
FurinA furin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P09958]Homo sapiens (human)
Coagulation factor VIIA coagulation factor VII that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08709]Homo sapiens (human)
Amyloid-beta precursor proteinAn amyloid-beta precursor protein that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Platelet-derived growth factor subunit AA platelet-derived growth factor subunit A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04085]Homo sapiens (human)
Vitamin K-dependent protein CA vitamin K-dependent protein C that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04070]Homo sapiens (human)
Glycoprotein hormones alpha chainA glycoprotein hormones alpha chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01215]Homo sapiens (human)
Beta-nerve growth factorA beta-nerve growth factor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01138]Homo sapiens (human)
Coagulation factor XA coagulation factor X that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00742]Homo sapiens (human)
Coagulation factor IXA coagulation factor IX that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00740]Homo sapiens (human)
ProthrombinA prothrombin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00734]Homo sapiens (human)
Protein Wnt-3aA protein Wnt-3a that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56704]Homo sapiens (human)
Proto-oncogene Wnt-3A proto-oncogene Wnt-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P56703]Homo sapiens (human)
Matrix metalloproteinase-16A matrix metalloproteinase-16 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51512]Homo sapiens (human)
Matrix metalloproteinase-14A matrix metalloproteinase-14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50281]Homo sapiens (human)
Stromelysin-3A stromelysin-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24347]Homo sapiens (human)
Mucin-1A mucin-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P15941]Homo sapiens (human)
FurinA furin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P09958]Homo sapiens (human)
Coagulation factor VIIA coagulation factor VII that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08709]Homo sapiens (human)
Amyloid-beta precursor proteinAn amyloid-beta precursor protein that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Platelet-derived growth factor subunit AA platelet-derived growth factor subunit A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04085]Homo sapiens (human)
Vitamin K-dependent protein CA vitamin K-dependent protein C that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04070]Homo sapiens (human)
Glycoprotein hormones alpha chainA glycoprotein hormones alpha chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01215]Homo sapiens (human)
Beta-nerve growth factorA beta-nerve growth factor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01138]Homo sapiens (human)
Coagulation factor XA coagulation factor X that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00742]Homo sapiens (human)
Coagulation factor IXA coagulation factor IX that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00740]Homo sapiens (human)
ProthrombinA prothrombin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00734]Homo sapiens (human)
Multidrug resistance-associated protein 5An ATP-binding cassette sub-family C member 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15440]Homo sapiens (human)

Compounds (1,231)

CompoundDefinitionClassesRoles
[3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammoniumacylcholine
inositol1D-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
niacinamidenicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.pyridine alkaloid;
pyridinecarboxamide;
vitamin B3
anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacinNiacin: 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
1,10-phenanthroline1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinasesphenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
3,4-dichloroisocoumarin3,4-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
tramiprosate3-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
cgp 524114,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups.

4,5-dianilinophthalimide: structure given in first source
phthalimidesgeroprotector;
tyrosine kinase inhibitor
p-chloromercuribenzoic acidp-Chloromercuribenzoic Acid: An organic mercurial used as a sulfhydryl reagent.chlorine molecular entity;
mercuribenzoic acid
4-iodine-benzo(b)thiophene-2-carboxamidine
5-(n,n-hexamethylene)amiloride5-(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
6-nitroso-1,2-benzopyrone
tacrinetacrine : 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
ag 1295quinoxaline derivativegeroprotector
tyrphostin ag957tyrphostin AG957: tyrosine kinase blocker; structure given in first sourcearomatic amine
amodiaquineamodiaquine : 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
azinphosmethylazinphos-methyl : A member of the class of benzotriazines that is 1,2,3-benzotriazine substituted by an oxo group at position 4 and a [(dimethoxyphosphorothioyl)sulfanyl]methyl group at position 3.

Azinphosmethyl: An organothiophosphorus cholinesterase inhibitor. It has been used as an acaricide and as an insecticide.
benzotriazines;
organic thiophosphate;
organothiophosphate insecticide
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
benzamidebenzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.benzamides
benzamidinebenzamidine : A carboxamidine that is benzene carrying an amidino group.

benzamidine: RN given refers to parent cpd
benzenes;
carboxamidine
serine protease inhibitor
diminazenediminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group.

Diminazene: An effective trypanocidal agent.
carboxamidine;
triazene derivative
antiparasitic agent;
trypanocidal drug
bis(5-amidino-2-benzimidazolyl)methanebis(5-amidino-2-benzimidazolyl)methane: aromatic diamidine which has a significant suppressive effect on the cytopathology & yield of respiratory synctial (RS) virus; RN given refers to parent cpd
camostatcamostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients.benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide
anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
cantharidinfurofuran
carbazilquinoneCarbazilquinone: An alkylating agent structurally similar to MITOMYCIN and found to be effective in the treatment of leukemia and various other neoplasms in mice. It causes leukemia and thrombocytopenia in almost all human patients.organic molecular entity
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
chloroquinechloroquine : 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
clioquinol5-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
dephostatindephostatin: from Streptomyces sp. MJ742-NF5; structure given in first source
dequaliniumdequalinium : 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 ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
diazoxidediazoxide : A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies.

Diazoxide: A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group.
benzothiadiazine;
organochlorine compound;
sulfone
antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
dilazepdilazep : A member of the class of diazepanes that is 1,4-diazepane substituted by 3-[(3,4,5-trimethoxybenzoyl)oxy]propyl groups at positions 1 and 4. It is a potent adenosine uptake inhibitor that exhibits antiplatelet, antianginal and vasodilator properties.

Dilazep: Coronary vasodilator with some antiarrhythmic activity.
benzoate ester;
diazepane;
diester;
methoxybenzenes
cardioprotective agent;
platelet aggregation inhibitor;
vasodilator agent
dipyridamoledipyridamole : 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
disulfiramorganic 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-naphthoquinone2,3-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
donepezil2-[(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
ebastineorganic molecular entity
ebselenebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase.benzoselenazoleanti-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
fluorouracil5-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
flurbiprofenflurbiprofen : 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
gabexateGabexate: A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin.benzoate ester
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanoneZM39923: structure in first sourcenaphthalenes
lansoprazoleLansoprazole: 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-lapachonebeta-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
edaravonepyrazoloneantioxidant;
radical scavenger
3,7-bis(dimethylamino)phenothiazin-5-ium3,7-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
mitoxantronemitoxantrone : 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.
dihydroxyanthraquinoneanalgesic;
antineoplastic agent
1,3-dicyclohexylurea1,3-dicyclohexylurea: degradation product of 1-(2-chloroethyl)-3- cyclohexyl-1-nitrosourea; structureureas
fidexabanFidexaban: structure in first source
n(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidideN(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide: thrombin inhibitor; RN given refers to parent cpd without isomeric designation
nafamostatnafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplasticbenzoic acids;
guanidines
oxybutyninoxybutynin : 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
pentamidinepentamidine : 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
pomiferinpomiferin: structure in first sourceisoflavanones
ppm 18naphthoquinone
primaquineprimaquine : 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
ro 15-4513Ro 15-4513: a partial inverse agonist of benzodiazepine receptorsorganic heterotricyclic compound;
organonitrogen heterocyclic compound
aurinaurin: structurediarylmethane
ACar 18-0O-acylcarnitine
vorinostatvorinostat : 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
sulfaguanidinesulfaguanidine : A sulfonamide incorporating a guanidine moiety used to block the synthesis of folic acid; mostly used in veterinary medicine

Sulfaguanidine: A sulfanilamide antimicrobial agent that is used to treat enteric infections.
sulfonamide antibioticantiinfective agent
sulfaquinoxalineSulfaquinoxaline: An antiprotozoal agent used to combat coccidial infections of swine, cattle, fowl, and other veterinary animals. Also used in controlling outbreaks of fowl typhoid and fowl cholera and in treatment of infectious enteritis.benzenes;
sulfonamide
sulfinpyrazoneSulfinpyrazone: A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties.pyrazolidines;
sulfoxide
uricosuric drug
trequinsintrequinsin: RN given refers to parent cpd; structure given in first sourcepyridopyrimidine
trifluoperazineN-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
trioxsalenantipsoriatic : A drug used to treat psoriasis.

lactone : Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.

trioxsalen : 7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis.

Trioxsalen: Pigmenting photosensitizing agent obtained from several plants, mainly Psoralea corylifolia. It is administered either topically or orally in conjunction with ultraviolet light in the treatment of vitiligo.
psoralensdermatologic drug;
photosensitizing agent
tyrphostin a9alkylbenzenegeroprotector
triiodothyronine3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.

Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.
2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine
human metabolite;
mouse metabolite;
thyroid hormone
edetic acidEdetic 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
methylene bluemethylene 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 saltacid-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
chlorquinaldolchlorquinaldol : A monohydroxyquinoline that is quinolin-8-ol which is substituted by a methyl group at position 2 and by chlorine at positions 5 and 7. An antifungal and antibacterial, it was formerly used for topical treatment of skin conditions and vaginal infections.

Chlorquinaldol: Local anti-infective agent used for skin, gastrointestinal, and vaginal infections with fungi, protozoa, and certain bacteria. In animals, it causes central nervous system damage and is not administered parenterally. It is also used as antiseptic, fungistat, or deodorant.
monohydroxyquinoline;
organochlorine compound
antibacterial drug;
antiprotozoal drug;
antiseptic drug
quinic acid(-)-quinic acid : The (-)-enantiomer of quinic acid.
1-phenylazo-2-naphthylamine
1-(2-pyridylazo)-2-naphthol
salicylanilidesalicylanilide : 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
pyroninepyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method.

Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.
iminium salt;
organic chloride salt
histological dye
dehydrothio-4-toluidinedehydrothio-4-toluidine: structure in first source
proflavine3,6-diaminoacridine : An aminoacridine that is acridine that is substituted by amino groups at positions 3 and 6. A slow-acting bacteriostat that is effective against many Gram-positive bacteria (but ineffective against spores), its salts were formerly used for treatment of burns and infected wounds.

Proflavine: Topical antiseptic used mainly in wound dressings.
aminoacridinesantibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator
fentichlorfentichlor: structure

fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine.
aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol
antiinfective agent;
drug allergen
triclocarbantriclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.

triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure
dichlorobenzene;
monochlorobenzenes;
phenylureas
antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
2,4-dihydroxybenzophenone2,4-dihydroxybenzophenone: structure in first sourcebenzophenones
benzilbenzil : 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
sterogenolcetylpyridinium 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
catechin(+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.

catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.

Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.

rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin
catechinantioxidant;
plant metabolite
5H-dibenzo[b,f]azepine5H-dibenzo[b,f]azepine : A mancude organic heterotricyclic parent that consists of a seven-membered nitrogen hetrocycle fused with two benzene rings.dibenzoazepine;
mancude organic heterotricyclic parent
marine xenobiotic metabolite
isocarbostyrilisoquinolinone : An isoquinoline containing one or more oxo groups.isoquinolines
isoquinoline-1,3,4-trioneisoquinoline-1,3,4-trione: structure in first source
dibromsalicildibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic
nitrophenidenitrophenide: Structure in first source
diphenylcarbazonediphenylcarbazone: sensitive reagent for Hg, for which it gives blue color; structure
guaiacol carbonatemethoxybenzenes
congo redCongo 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
diphenylaminediphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.

Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.
aromatic amine;
bridged diphenyl fungicide;
secondary amino compound
antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
dibrompropamidinearomatic ether
azure aazure 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
c 137C 137: RN given refers to parent cpd
dichlorobenzyl alcohol2,4-dichlorobenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 2 and 4 are replaced by chlorines.benzyl alcohols;
dichlorobenzene
antiseptic drug
orange gorange 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.
amilorideamiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.

Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705)
aromatic amine;
guanidines;
organochlorine compound;
pyrazines
diuretic;
sodium channel blocker
7-hydroxychlorpromazine7-hydroxychlorpromazine: RN given refers to parent cpdphenothiazines
fluorenone oxime
mofebutazonemofebutazone : A pyrazolidine that is phenylbutazone lacking one of the phenyl substituents. It is used for treatment of joint and muscular pain.

mofebutazone: RN given refers to parent cpd; structure
pyrazolidinesnon-narcotic analgesic;
non-steroidal anti-inflammatory drug
2-methoxy-1,4-naphthoquinone2-methoxy-1,4-naphthoquinone : A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis.

2-methoxy-1,4-naphthoquinone: isolated from Swertia calycina; structure in first source
1,4-naphthoquinones;
enol ether
antimicrobial agent;
metabolite;
plant metabolite
thioflavin tthioflavin 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 saltfluorochrome;
geroprotector;
histological dye
thioflavin tthioflavin 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
1,3,5-triglycidyl-s-triazinetrione
1,2-benzisothiazoline-3-one1,2-benzisothiazoline-3-one: a preservative in water-based solutions such as paints, cutting fluids, printing inks, cleaning agents, polyvinyl chloride gloves, etc.

benzo[d]isothiazol-3-one : An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion.
organic heterobicyclic compound;
organonitrogen heterocyclic compound
disinfectant;
drug allergen;
environmental contaminant;
platelet aggregation inhibitor;
sensitiser;
xenobiotic
hydroxyphenytoin4-hydroxyphenytoin : A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5.

hydroxyphenytoin: main metabolite of diphenylhydantoin; reduces Na(+) inhibition at high Na:K ratios; RN given refers to cpd without isomeric designation; structure
imidazolidine-2,4-dione;
phenols
metabolite
2-amino-3-chloro-1,4-naphthoquinone2-amino-3-chloro-1,4-naphthoquinone: has antineoplastic activity; structure in first source1,4-naphthoquinones
nsc 38525-nitroso-8-quinolinol: structure in first sourcehydroxyquinoline
Bis(2-furanylmethyl) disulfideheteroarene
oxycarboxinoxycarboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-4,4-dioxo-1,4-oxathiine-3-carboxylic acid. A fungicide for the control of rust diseases on ornamentals, cereals and nursery trees as well as fairy rings on turf.

oxycarboxin: structure
anilide;
anilide fungicide;
organosulfur heterocyclic compound;
oxacycle;
sulfone
antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
5-nitroindazole
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazineflavin
camptothecinNSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first sourcedelta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
marmesin, (r)-isomernodakenetin : A marmesin with R-configuration.marmesinplant metabolite;
rat metabolite;
xenobiotic metabolite
3-methyl-2-quinoxalinolquinoxaline derivative
clioxanideclioxanide: structure
n-(cyclohexylthio)phthalimideN-(cyclohexylthio)phthalimide: water pollutant
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneanthracycline
glutamic acidglutamic 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
N-fluorenylacetamidefluorenes
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
isovelleralisovelleral: structure given in first sourcealdehyde
phenicaberan
s-2678XI-006: diminishes MDM4 promoter activity; structure in first source
idarubicinIdarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA.anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
captoprilcaptopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.

Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
1,2-di(5-amidino-2-benzofuranyl)ethane1,2-di(5-amidino-2-benzofuranyl)ethane: preferential inhibitor of bovine factor Xa; structure given in first source
nsc 330770NSC 330770: structure given in first source
mifepristoneMifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME.3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound
abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
tiludronic acidtiludronic acid: a bone resorption inhibitor; an antihypercalcemic agent; used in the tratment of Paget's disease; used in the treatment and prevention of osteoporosis; structure given in first sourceorganochlorine compound
3-morpholinopropylamine3-morpholinopropylamine : A member of the class of morpholines that is morpholine substituted by a 3-aminopropyl group a the N atom.morpholines;
primary amino compound
2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazoleC-nitro compound;
furans
acridine orangeacridine 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
5-Aminoacenaphthenenaphthalenes
diacetylfluorescein
epigallocatechin gallate(-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.

epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis)
flavans;
gallate ester;
polyphenol
antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
2,2'-dipyridyl disulfide2,2'-dipyridyl disulfide: disulfide is an important moiety in this cpd

aldrithiol : A member of the class of pyridines that is pyridine which is substituted by a pyridin-2-yldisulfanediyl group at position 2. It is a reagent used in molecular biology as an oxidizing agent. Also used in peptide synthesis and for detecting thiols.
organic disulfide;
pyridines
oxidising agent
hexamidinehexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.aromatic ether;
guanidines;
polyether
antimicrobial agent;
antiseptic drug
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions.

pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent
gallate ester;
galloyl beta-D-glucose
anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
n,n'-bis(salicyl)hydrazineN,N'-bis(salicyl)hydrazine: structure in first source
inogatraninogatran: a direct low molecular weight thrombin inhibitor
n-acetylsulfamethoxypyridazine
4,7-phenanthrolinephenanthroline
dibenzthionedibenzthione: structurearomatic amine
harmolharmol: harmol is oxidized form of alkaloid harmolol; RN given refers to parent cpd; structureharmala alkaloid
azure bazure 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
oxiperomideoxiperomide: dopamine-blocking agent
zoledronic acidzoledronic acid : An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.

Zoledronic Acid: An imidobisphosphonate inhibitor of BONE RESORPTION that is used for the treatment of malignancy-related HYPERCALCEMIA; OSTEITIS DEFORMANS; and OSTEOPOROSIS.
1,1-bis(phosphonic acid);
imidazoles
bone density conservation agent
1,2-bis(phenylsulfonyl)ethane
norcyclizinenorcyclizine: RN given refers to parent cpd; structure in first source
4-Formyl-antipyrinepyrazoles;
ring assembly
morphazinamidemorphazinamide: RN given refers to parent cpd; RN in Chemline for mono-HCL: 1473-73-0; structure in Merck Indexmorpholines;
pyrazines;
secondary carboxamide
2,2',2''-terpyridine2,2',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.
terpyridineschelator
propipocaine monohydrochloride
3-octadecanamido-2-ethoxypropylphosphocholine3-octadecanamido-2-ethoxypropylphosphocholine: anti-HIV agent; RN & structure given in first source
epicatechin(-)-epicatechin : A catechin with (2R,3R)-configuration.catechin;
polyphenol
antioxidant
9-methoxyellipticine9-methoxyellipticine: RN given refers to parent cpd
2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid: structure given in first source
coumarin 153coumarin 153: structure in first source7-aminocoumarinsfluorochrome
methyl fluorone blackmethyl fluorone black: structure
3-aminophenoxazone3-aminophenoxazone: also inhibits sulfatase; structurephenoxazine
2-phenyl-4,5-dichloro-3-pyridazinone
centazolonecentazolone: tranquillosedative drug with action similar to that of chlordiazepoxide; structure in UD 30;55a
methylene violetmethylene violet: structure given in first source
pinobanksinpinobanksin : 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
1-aminoisoquinoline
8-hydroxy-2-quinolinecarboxylic acidquinolines
1-ethyl-2-benzo[cd]indoloneisoindoles
2-Amino-6-(benzylthio)purinethiopurine
p-Aminobenzamidine dihydrochlorideorganic molecular entity
7-bromo-5-phenyl-1,2-dihydro-2h-1,4-benzodiazepin-2-one7-bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one: RN given refers to unlabeled parent cpd
3,5-di-tert-butyl-1,2-benzoquinone
1-methyl-2-phenylindole
2-methyl-4-nitroquinoline 1-oxide2-methyl-4-nitroquinoline 1-oxide: structure
8-(4-tolylsulfonylamino)quinoline8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first sourcesulfonamide
5-chloroindole-2-carboxylate5-chloroindole-2-carboxylate: N-methyl-D-aspartate glycine site antagonistindolyl carboxylic acid
n,n'-2-phenylenedimaleimideN,N'-2-phenylenedimaleimide: RN given refers to 2-phenylene-cpd
5-chloroindole5-chloroindole: a positive allosteric modulator of the 5-HT3 receptor
2-butyl-6-(butylamino)-1h-benzo(de)isoquinoline-1,3(2h)-dione
5-bromonicotinic acid5-bromonicotinic acid: structure given in first source
5-benzyloxytryptamine
streptovitacin astreptovitacin A: structure
pyridabenorganochlorine acaricide;
organochlorine insecticide;
pyridazinone
mitochondrial NADH:ubiquinone reductase inhibitor
sarsasapogeninsapogenin
tarenflurbiltarenflurbil: R-enantiomer of flurbiprofen but not a COX inhibitor; modulates NF-kB, gamma-secretase, amyloid beta-protein;flurbiprofen
mci 9038peptide
coumarin 7coumarin 7: structure in first source
1-piperonylpiperazine1-piperonylpiperazine: coadministration of above cpd attenuates neurotoxicity of 3,4-methylenedioxymethamphetamine; RN given refers to parent cpd
osajinosajin: from Maclura pomiferaisoflavanones
9,10-phenanthrenequinone monoxime9,10-phenanthrenequinone monoxime: selective sensitive reagent for iron in environmental samples
2-nitrobenzimidazole2-nitrobenzimidazole: RN given refers to parent cpd
1,3-diphenyl-2-propyn-1-one1,3-diphenyl-2-propyn-1-one: structure in first source
3,3'-Dihydroxyhexestrolstilbenoid
wr 158122WR 158122: structure
isosteviolisosteviol: an antihyperglycemic agent; obtained by acid hydrolysis of stevioside; was indexed to steviol 1985-2007diterpenoid
zpckZPCK: alkylates histidine residue at active center of bovine chymotrypsin
n-acetylphenylalanyl-phenylalanine
difenpiramidebiphenyls;
monocarboxylic acid amide;
pyridines
antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
diphyllindiphyllin: extract of Cleistanthus collinus (Roxb), a highly poisonous plant; do not confuse with diphyllin or diphylline which is the main heading AMINOPHYLLINE; do not confuse with the theophylline derivative DYPHYLLINElignan
karanjinkaranjin: structure given in first sourceextended flavonoid
sivelestatsivelestat: inhibitor of neutrophil elastase; structure given in first sourceN-acylglycine;
pivalate ester
sepimostate mesilatesepimostate mesilate: used in therapy of pancreatitis; structure given in first source
tanshinonetanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agentabietane diterpenoidanticoronaviral agent
pirlindole hydrochloride
3-(1-piperidinyl)-1-(4-propan-2-yloxyphenyl)-1-propanonearomatic ketone
marimastatmarimastat : 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
dx 9065
efegatranefegatran: RN & structure given in first source; RN given refers to parent cpd (D)-isomer
acetylphenylalanyl-prolyl-boroarginineAc-(D)Phe-Pro-boroArg-OH : A C-terminal boronic acid petide that is N-acetyl-D-phenylalanyl-L-prolyl-L-arginine in which the C-termnal carboxy group has been replaced by a borono (-B(OH)2) group. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant.

DuP-714 : A hydrochloride resulting from the formal reaction of equimolar amounts of Ac-(D)Phe-Pro-boroArg-OH and hydrogen chloride. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant.
acetamides;
C-terminal boronic acid peptide;
guanidines
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
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-dimethylbenzimidazoline-2-thione1,3-dimethylbenzimidazoline-2-thione: structure given in first source
demethoxyviridindemethoxyviridin: blocks phospholipase C & D activation in human neutrophils; RN from Toxlit
3'-deamino-3'-hydroxydaunorubicin3'-deamino-3'-hydroxydaunorubicin: structure given in first source
ly 188544LY 188544: RN given refers to cpd without isomeric designation; LY 188545 is the (S)-isomer; LY 188546 is the (R)-isomer; structure given in first sourcebenzamides
cyanidincyanidin cation : An anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups.

cyanidin: RN given refers to parent cpd; structure
5-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent
foy 2514-(4-guanidinobenzoyloxy)phenylacetic acid: RN given refers to monomethanesulfonate
omeprazole magnesiumesomeprazole magnesium : A magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome.benzimidazoles;
sulfoxide
n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide
umifenovirumifenovir: an antiviral agentindolyl carboxylic acid
ilomastatCS 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
selenomethylselenocysteineSe-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
1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanonebenzodioxoles
4,5-diphenyl-4-oxazolin-2-one4,5-diphenyl-4-oxazolin-2-one: amino group protecting agent in peptide synthesis; structure
8-(methylsulfonylamino)quinoline8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source
1,4-di(2'-thienyl)-1,4-butadione1,4-di(2'-thienyl)-1,4-butadione: structure given in first source
solifenacinisoquinolines
homonojirimycinhomonojirimycin: inhibits alpha-glucosidase; RN given for (2R-(2alpha,3alpha,4beta,5alpha,6beta))-isomer; structure in first source
sch 45752organic heterotricyclic compound;
organooxygen compound
2-chloroacetoacetanilide2-chloroacetoacetanilide: structure in first source
cyc 202seliciclib : 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-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one: structure in first source
chrysamine gchrysamine G: structure given in first source; RN refers to disodium salt
8-(4-benzenesulfonylamino)quinoline8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source
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
3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-oneindoles
2,4-dinitropyrimidinyl-2-thiophenol
enniatin benniatin B : An enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units.

enniatins: cyclohexadepsipeptides containing valine, isoleucine & valeric acid from Fusarian; form complexes with cations & cellular membranes; there are at least three different enniatins H, B & C; minor descriptor (76-86); on-line & INDEX MEDICUS search PEPTIDES, CYCLIC (76-86); see also record for enniatin D, E, F
enniatinantimicrobial agent
2-phenyl-1,2-benzisothiazol-3-(2h)-one2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen
4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dionebenzenes
2-(1,1,2,2-tetrafluoroethyl)benzimidazole
abt 980
l 694,458DMP 777: structure given in first source
4-methoxy-1-vinylcarboline
melagatranazetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
pefabloc
latrepirdinelatrepirdine: structuremethylpyridines;
pyridoindole
geroprotector
2-[4-(4-methoxyphenyl)-1-piperazinyl]pyrimidinepiperazines
razaxabanrazaxaban: structure in first source
dabigatrandabigatran : An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism.

Dabigatran: A THROMBIN inhibitor which acts by binding and blocking thrombogenic activity and the prevention of thrombus formation. It is used to reduce the risk of stroke and systemic EMBOLISM in patients with nonvalvular atrial fibrillation.
aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
pyridines
anticoagulant;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
EC 3.4.21.5 (thrombin) inhibitor
sitosterol, (3beta)-isomersitosterol : A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3.

Sobatum: tradename; active fraction of Solanum trilobatum; reduces side-effects of radiation-induced toxicity
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol
anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
Phthalyltyrosinetyrosine derivative
2-(4-aminophenyl)benzothiazole2-(4-aminophenyl)benzothiazole: an agent with selective profile of in vitro anti-tumour activity; structure in first source
3-nitrotyrosine3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.

3-nitrotyrosine: RN given refers to parent cpd without isomeric designation
2-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid
benzatropine methanesulfonate
1',2'-dihydrorotenone1',2'-dihydrorotenone: RN given refers to (2R-(2alpha,6aalpha,12aalpha))-isomer; structure given in first source
2-methyl-3-(phenylthio)pyrazinearyl sulfide
gant58GANT58: inhibits hedgehog signalling; structure in first sourcepyridines
coronopilincoronopilin: isolated from Ambrosia arborescenssesquiterpene lactone
1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one: has antineoplastic activity; structure in first source
2-chloro-3-(4-methylanilino)naphthalene-1,4-dione1,4-naphthoquinones
4-amino-1,2-dithiolane-4-carboxylic acid4-amino-1,2-dithiolane-4-carboxylic acid: structure in first source
papaverinolpapaverinol: degradation product of papaverine
dimethyl 2-(2-nitrobenzylidene)malonatedimethyl 2-(2-nitrobenzylidene)malonate: inhibits TLR4 signaling; structure in first source
nsc 154020N-glycosyl compound
4-chloro-1H-indazol-3-amineindazoles
nsc228155
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one: structure in first sourcecyclic ketone;
quinuclidines
Cadabicilonesesquiterpene lactone
mitonafide
pinafidepinafide: structure
rocaglamiderocaglamide : An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity.

rocaglamide: RN refers to (1alpha,2alpha,3beta,3abeta,8bbeta)-isomer; isolated from stems of Aglaia elliptifolia; structure given in first source
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound
antileishmanial agent;
antineoplastic agent;
metabolite
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dionebeta-diketone
6-dimethylaminopurine arabinoside
nsc606985
2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone: structure in first source
nsc668394
nsc 680410NSC 680410: a bcr/abl kinase inhibitor; structure in first source
nsc681152
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
5,7-dimethoxy-4-methyl-1-benzopyran-2-onecoumarins
nsc689857
nsc697923
4-(4-chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrilepyrimidines
nsc-134754
N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamidediarylmethane
Destruxin Bcyclodepsipeptide
macbecin iimacbecin II: from Norcardia sp. No. C-14919; belongs to ansamycin group of antibiotics; structure in second source
taxifolin(+)-taxifolin : A taxifolin that has (2R,3R)-configuration.taxifolinmetabolite
tosylphenylalanyl chloromethyl ketoneN-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
Pedunculaginpedunculagin: from the walnut (Juglans regia) pellicletannin
e-z cinnamic acidcinnamic 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 acidplant metabolite
benzamidinecarboxamidinium ion
trichostatin atrichostatin 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 STREPTOMYCESantibiotic antifungal agent;
hydroxamic acid;
trichostatin
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
tretinoinall-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 acidarachidonate : 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
resveratroltrans-resveratrol : A resveratrol in which the double bond has E configuration.resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
retinolall-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
palmitoleic acidhexadecenoate : A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.hexadec-9-enoic acidalgal metabolite;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
human blood serum metabolite
oleic acidoleic 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 acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
ferulic acidferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
cocainecocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.

Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.
benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid
adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
eicosapentaenoic acidall-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17.

icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds.
icosapentaenoic acid;
omega-3 fatty acid
anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
cgs 27023aCGS 27023A: a matrix metalloproteinase inhibitor
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
phenylalanyl-prolyl-arginineoligopeptide
6-bromoindirubin-3'-oxime6-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
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
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
prinomastatprinomastat : 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
6,8-diprenylgenistein5,7,4'-trihydroxy-6,8-diprenylisoflavone : A member of the class of 7-hydroxyisoflavones that is genistein substituted by prenyl groups at positions 6 and 8. It has been isolated from Derris scandens and Glycyrrhiza uralensis.

6,8-diprenylgenistein: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source
7-hydroxyisoflavonesantibacterial agent;
plant metabolite
9,14-Dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-ene-4,11-dionegermacranolide
IPA-3IPA-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-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl esterheteroarene
2-chloro-N-(5-methyl-3-isoxazolyl)acetamidearomatic amide
2-(2-phenoxyethylsulfonyl)-1H-benzimidazolebenzimidazoles;
sulfoxide
LSM-22807aromatic ether
2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline: prazosin metabolite; RN given refers to parent cpd
2-chlorothioxanthen-9-one2-chlorothioxanthen-9-one: chlorprothixene degradation product
sr 90107fondaparinux sodium : An organic sodium salt, being the decasodium salt of fondaparinux.
3-coumaric acid3-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
teucrolteucrol: from Teucrium pilosum; structure in first source
retinaldehydeall-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
isoliquiritigeninchalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
dibenzylidene acetonedibenzylidene acetone: structure in first source
cgp 60474substituted aniline
2-(4-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamidebenzoxazole
4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl esterbenzodioxoles
7,8-dimethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-phenyl-3H-1,5-benzodiazepin-2-onebenzodiazepine
3-methyl-4-(7-methyl-2-indolizinyl)-1,2,5-oxadiazoleindolizines
3-[[1,3-benzodioxol-5-ylmethyl-[(1-cyclopentyl-5-tetrazolyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-onequinolines
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-pyridinyl)-3-piperidinecarboxamidesulfonamide
2-(4-bromophenyl)-5-(2-methylphenyl)-1,3,4-oxadiazoleorganobromine compound
5-(4-propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazolepyridines
N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-furancarboxamidepeptide
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamidearomatic ether
N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamidepeptide
4-[4-[(5,6-dimethyl-1-benzimidazolyl)sulfonyl]phenyl]sulfonylmorpholinesulfonamide
2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamidearomatic amide
N-[1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolyl]acetamidebenzimidazoles
N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamideamidobenzoic acid
3-(2,5-dimethyl-1-pyrrolyl)-4-methylanilinepyrroles
4-[[[[8-[(1-tert-butyl-5-tetrazolyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl esterbenzoate ester
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamideanilide
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-onequinolines
1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanonepiperazines
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]-4-piperidinecarboxamidepiperidines
2-methoxy-N-methyl-N-[5-(5-methyl-2-pyrazinyl)-1,3,4-thiadiazol-2-yl]acetamidepyrazines
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-6-methyl-1H-quinolin-2-onequinolines
2-[2-[[2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl esterpyrazoles;
ring assembly
[4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamidearomatic amide;
furans
9-oxo-N-(3-pyridinylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamidearomatic amide;
quinolines
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanonequinolines
5-[(2-fluoroanilino)methyl]-8-quinolinolhydroxyquinoline
4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenolN-arylpiperazine
omapatrilatomapatrilat: structure in first sourcedipeptide
N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamidesulfonamide
1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-aminepyrroloquinoline
2'-amino-5',6'-dimethoxy-1'-spiro[cyclopentane-1,3'-indene]carbonitrileindene
3-(4-butyl-3,5-dimethyl-1-pyrazolyl)-5-methyl-[1,2,4]triazino[5,6-b]indoletriazinoindole
6-amino-4-(5-bromo-2-thiophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrilepyranopyrazole;
thiophenes
5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl esterindolyl carboxylic acid
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxidebenzothiazine
3-(5-cycloheptylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl)propanoic acidthiazolidines;
thiocarbonyl compound
1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]ureathiadiazoles;
ureas
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]ureathiadiazoles;
ureas
2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] esteralpha-amino acid ester
2-[[5-cyano-2-(3,4-dimethoxyphenyl)-4-oxo-2,3-dihydro-1,3-thiazin-6-yl]thio]acetic acid ethyl esterdimethoxybenzene
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
3-benzamido-5-bromo-2-benzofurancarboxylic acid methyl esterbenzofurans
5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidinedimethoxybenzene
4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl esterpyrimidinecarboxylic acid
N-[3-(2-furanylmethylamino)-2-quinoxalinyl]-3-methylbenzenesulfonamidequinoxaline derivative
3-(3-benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dionearomatic ketone
N-[2-[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl esterdichlorobenzene
2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrilepyrazoles;
ring assembly
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolearomatic ether;
triazolothiadiazole
7-methyl-3-(3-methylbutylamino)-1-(1-pyrrolidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrilenaphthyridine derivative
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-bis(phenylmethyl)-2,4-dihydro-1,3,5-triazin-6-aminearalkylamine
7-(3,4-dimethoxyphenyl)-4-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-oneN-arylpiperazine
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamidebenzimidazoles
LSM-20899pyranopyridine
3,4,7-trimethyl-5-(3-oxobutan-2-yloxy)-1-benzopyran-2-onecoumarins
3,4-methylenedioxy-beta-nitrostyrene3,4-methylenedioxy-beta-nitrostyrene: tyrosine kinase inhibitor that prevents platelet glycoprotein IIb/IIIa activation; structure in first source
caffeic acidtrans-caffeic acid : The trans-isomer of caffeic acid.caffeic acidgeroprotector;
mouse metabolite
methyl caffeatemethyl 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
4-(3-amino-2-imidazo[1,2-a]pyridinyl)-2-methoxyphenolimidazoles
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamineimidazopyridine
2,6-dimethyl-N-(4-methylphenyl)-4-quinolinamineaminoquinoline
2-[(4-chloro-2-methylphenoxy)methyl]imidazo[1,2-a]pyrimidineimidazopyrimidine
1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazinepiperazines
4-chloro-1-methyl-3-nitro-2-quinolinonenitro compound;
quinolines
N1-(6-bromo-4-quinazolinyl)-N4,N4-dimethylbenzene-1,4-diaminequinazolines
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl esterbenzodioxine
2-mercaptobenzimidazole2-mercaptobenzimidazole: purine synthesis antimetabolite; RN given refers to parent cpd
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamidequinazolines
2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenolmethoxybenzenes;
phenols
2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetic acid methyl esterpyrazoles;
ring assembly
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrilebenzenes;
nitrile
phenylthiazolylthioureaPhenylthiazolylthiourea: A dopamine-beta-hydroxylase inhibitor.
bemethyl
5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid ethyl esteraromatic carboxylic acid;
pyridines
1-cyclohexyl-3-[[oxo(thiophen-2-yl)methyl]amino]thioureaaromatic amide;
thiophenes
4,5-dimethylaminobenzylidene-2-thiobarbituric acid
1-(4-chlorophenyl)-3-(4-sulfamoylphenyl)ureasulfonamide
N-[4-(diethylamino)phenyl]-N'-phenylureadialkylarylamine;
tertiary amino compound
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl esteraromatic ether
1-benzoyl-4-phenyl-3-thiosemicarbazide1-benzoyl-4-phenyl-3-thiosemicarbazide: structure in first source
2,4-Dimethyl-1,3-thiazole-5-carboxylic acidaromatic carboxylic acid;
thiazoles
2-(4-hydroxyanilino)-1,4-naphthoquinone2-(4-hydroxyanilino)-1,4-naphthoquinone: structure in first source
1-(3,5-dichlorophenyl)-3-phenylureaureas
3-(2,4-dioxo-6-methyl-5-pyrimidinyl)acrylic acid3-(2,4-dioxo-6-methyl-5-pyrimidinyl)acrylic acid: RN refers to (E)-isomer; structure in first source
5,6-dimethyl-2-[2-(1-pyrrolidinyl)ethylthio]-1H-benzimidazolebenzimidazoles
nsc185058NSC185058: an ATG4B antagonist
2-fluoro-N-phenacylbenzamidearomatic ketone
1-(3-pyridinylmethyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]ureabenzodioxoles
3-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thionemethylindole
2-(1,3-benzothiazol-2-ylmethoxy)phenolbenzothiazoles
3-(8-methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-onecoumarins
2-[[2-(5,6-dimethyl-1-benzimidazolyl)-1-oxoethyl]amino]benzoic acid methyl esteramidobenzoic acid
3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dionemaleimides
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-onearomatic compound
2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine1,3,5-triazines;
organic sulfide
1-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]thioneisoquinolines
4-(2-naphthalenylmethyl)-1-piperazinecarboxylic acid ethyl esternaphthalenes
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]-1-cyclohexanamineprimary amine
N-(1-acetyl-2-chloro-3-indolyl)-2-chloroacetamideindoles
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-5-nitro-2-furancarboxamidearomatic amide;
furans
3-amino-4-(4-chlorophenyl)-6-cyclopropyl-2-thieno[2,3-b]pyridinecarbonitrilephenylpyridine
N-[4-(1-azepanyl)phenyl]-2-chloroacetamideanilide
[4-(2-methylphenyl)-1-piperazinyl]-(4-nitrophenyl)methanethionepiperazines
4-chloro-1-ethyl-3-nitro-2-quinolinonenitro compound;
quinolines
3-(3-nitrophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thionetriazoles
2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehydearenecarbaldehyde
3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazidepyrazoles;
ring assembly
9-oxo-3-fluorenecarboxylic acid (phenylmethyl) esterfluorenes
1-(4-bromophenyl)-3-(2-phenylethyl)thioureathioureas
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamidebenzothiazoles
5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazoleoxadiazole;
ring assembly
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamideisoquinolines
3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
8-methyl-1,5-dihydropyrimido[5,4-b]indole-4-thionepyrimido-indole
7,8-dimethoxy-1,5-dimethyl-3-phenylpyrazolo[3,4-c]isoquinolinepyrazoles;
ring assembly
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amineN-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a 4-methylphenyl group and a methyl(1-methylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively.piperidines;
quinazolines;
tertiary amino compound;
toluenes
N-[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-4-phenylbenzamidebiphenyls
N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamideC-nitro compound;
furans
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)benzimidazoles
1-(3-chlorophenyl)-3-(phenylmethyl)thioureathioureas
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamidebenzothiazoles
2-[[4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]propanedinitrilesulfonamide
N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-2-(3-methylphenoxy)acetamidequinolines
N-[(2,3-dimethoxyphenyl)methyl]-4-(4-methyl-1-piperidinyl)anilinearomatic amine
4-phenyl-N-(2-pyridinyl)butanamidearomatic amide
3-[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acidbenzamides
N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamideC-nitro compound;
furans
2-methoxy-3-methyl-N-[4-(4-morpholinylmethyl)phenyl]benzamidebenzamides
2-chloro-N-[5-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]acetamidearomatic ketone
1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazoletetrazoles
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamidearomatic amide;
heteroarene
N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamidearomatic amide;
heteroarene
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)anilinearomatic amine
N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamidethiazoles
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamideanilide
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid methyl esterpyrroles
2-(4-chlorophenyl)-4-propan-2-yloxyquinazolinequinazolines
N2-(4-fluorophenyl)-6-(3-methyl-2-benzofuranyl)-1,3,5-triazine-2,4-diaminebenzofurans
1-(4-methylphenyl)sulfonyl-4-phenyl-3-pyrazolaminepyrazoles;
ring assembly
5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-oneC-nitro compound
3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-onetriazoles
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazolearomatic ether
curcumincurcumin : 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
3-[[(3-acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl esteraromatic ketone
N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamidebenzodioxoles
1-(4-acetylphenyl)-3-[2-(4-fluorophenyl)ethyl]thioureaaromatic ketone
6-hydroxy-2-(4-nitrophenyl)-3,1-benzoxazin-4-onebenzoxazine
3-chloro-4-[(1-ethyl-2-benzimidazolyl)thio]anilinearyl sulfide
(2,3-dimethoxyphenyl)-(1-pyrrolidinyl)methanethionedimethoxybenzene
1-(1-pyrrolidinyl)-2-(8-quinolinylthio)ethanonequinolines
1-[tert-butyl-[(3,5-dimethylphenyl)-oxomethyl]amino]-3-(4-chlorophenyl)ureaureas
5-(4-bromophenyl)-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-furancarboxamidefuroic acid
N-[3-chloro-2-(4-morpholinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamidearomatic amide
6-chloro-4-phenyl-3-(1-phenyl-5-tetrazolyl)quinolinequinolines
N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamidethioureas
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]ureamorpholines
N-(1-tert-butyl-5-benzimidazolyl)-3,4,5-trimethoxybenzamidebenzimidazoles
2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl esterbenzothiazoles
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamidearomatic amide;
thiophenes
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-1,3-benzodioxole-5-carboxamidearomatic amide
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diaminemethoxybenzenes;
substituted aniline
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamidesulfonamide
N'-methyl-N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-N'-(phenylmethyl)butanediamideimidazoles
N2,N7-bis(2,5-dimethylphenyl)-9H-fluorene-2,7-disulfonamidefluorenes
LSM-16285bipyridines
5-nitro-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-furancarboxamidearomatic amide;
furans
2-(3,4-dimethoxyphenyl)-8-methoxy-4,4-dimethyl-5H-isothiazolo[5,4-c]quinoline-1-thionedimethoxybenzene
[4-(diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanonediarylmethane
N-(4-Methoxybenzoyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanehydrazonic acidtriazoles
iwr-1 exoIWR-1-exo : A dicarboximide having an exo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. It is a weak axin stabilizer, an analogue of IWR-1-endo.bridged compound;
dicarboximide
axin stabilizer
3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acidamidobenzoic acid
4,5-dimethoxy-2-[[1-oxo-2-[(3,5,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acidamidobenzoic acid
3-pyridinecarboxylic acid [2-(2-furanyl)-4-oxo-1-benzopyran-3-yl] esterchromones
2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinaminemorpholines
2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) estercarboxylic ester
5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-4-thieno[2,3-d][1,3]oxazinonedimethoxybenzene
9-(dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinoneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
5-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)-4-nitro-2-propan-2-ylimidazoleimidazoles
N-[(4-ethylanilino)-sulfanylidenemethyl]-3-methylbutanamidethioureas
N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamidearomatic amide
5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-isoxazolecarboxamidearomatic amide;
heteroarene
5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-thiophenecarboxamidearomatic amide;
thiophenes
N-[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)phenyl]-5-nitro-2-furancarboxamideisoflavonoid
8-methoxy-6-nitro-3-[oxo-(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]-1-benzopyran-2-onecoumarins
2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyridinyl)acetamideC-nitro compound
N-(3,5-dichlorophenyl)-2-(methanesulfonamido)benzamidebenzamides
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(3-pyridinyl)-4-quinolinecarboxamidearomatic amide
[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-(6,8-dimethyl-2-pyridin-4-yl-4-quinolinyl)methanonequinolines
N-(4-hydroxy-3,5-dimethylphenyl)-2,5-dimethyl-3-thiophenesulfonamidesulfonamide
N-(2,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)-4-quinazolinaminequinazolines
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamidearomatic ether
N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanaminepyrazoles;
ring assembly
4-methoxy-N-[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamidequinazolines
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamideacetamides
N-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propanamidequinolines
3-[[2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acidamidobenzoic acid
9-(3-bromo-4-hydroxyphenyl)-10-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dionequinolines
2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(diphenylmethyl)acetamidediarylmethane
8,9-dimethyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)ethyl]-4H-[1,3]thiazino[6,5-b]quinolin-2-iminequinolines
7-(4-ethyl-1-piperazinyl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidinepyrimidines
2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamidequinazolines
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-propyl-4-quinazolinyl)thio]ethanonequinazolines
3-amino-8-methyl-N-[4-(4-morpholinyl)phenyl]-2-thieno[2,3-b]quinolinecarboxamidearomatic amide
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamidequinazolines
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)-3-methyl-2-furancarboxamidearomatic amide;
furans
4-tert-butyl-N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidinyl)ethyl]amino]phenyl]benzamidebenzamides
4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimineorganochlorine compound
2,5-dichloro-N-(1,5,6-trimethyl-4-benzimidazolyl)benzenesulfonamidesulfonamide
4-[(3-methylphenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acidaryl sulfide
4-(2-quinoxalinylamino)benzoic acid ethyl esterquinoxaline derivative
1-[[[1-(6-methyl-2-pyridinyl)-4-imidazolyl]-oxomethyl]amino]-3-phenylthioureaimidazoles
1,1-bis(4-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]ethanoldiarylmethane
5-(4-chlorophenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamidearomatic amide;
furans
2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamidequinolines
3-[(4-ethylsulfonyl-2-nitrophenyl)thio]-4-methyl-1,2,4-triazolearyl sulfide
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-onebenzothiazoles
4-chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-3-pyrazolecarboxamidearomatic amide
5-[(4-methyl-1-piperidinyl)methyl]-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl esteraralkylamine
2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanonearomatic ketone
N-[2-[(phenylmethyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl esterbenzodioxoles
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamideanilide
11-[2-(diethylamino)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrilebenzimidazoles
N-(4-methoxyphenyl)-2-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamidesulfonamide
cyqualoncyclovalone: is a synthetic curcumin derivative; structure in first source
tosylarginine methyl esterTosylarginine Methyl Ester: Arginine derivative which is a substrate for many proteolytic enzymes. As a substrate for the esterase from the first component of complement, it inhibits the action of C(l) on C(4).guanidines;
L-arginine ester;
methyl ester;
sulfonamide
1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thioureabenzenes
2-chloro-N-heptyl-N-(3-methylphenyl)acetamideanilide
2-chloro-3-(prop-2-enylamino)naphthalene-1,4-dione1,4-naphthoquinones
3-chloro-N-[3-[[(3-chloro-4-nitrophenyl)-oxomethyl]amino]-2,2-dimethylpropyl]-4-nitrobenzamidecarbonyl compound;
organohalogen compound
5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxymethyl]-2-furancarboxylic acidcoumarins
N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] esterorganofluorine compound
chlorogenic acidcaffeoylquinic 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
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thionetriazoles
N-(5-chloro-2-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-aminemethoxybenzenes;
substituted aniline
5-bromo-3-[[3-(3,3-dimethyl-1-piperidinyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl esterindolyl carboxylic acid
N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamidebenzenes
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylanilinearomatic ether
2-[6-bromo-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acidquinolines
2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitriledialkylarylamine;
tertiary amino compound
LSM-20401aromatic amide
5-tert-butyl-2-methyl-3-phenyl-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinaminepyrazoles;
ring assembly
6-(2-chloro-1-oxoethyl)-3H-1,3-benzoxazol-2-onebenzoxazole
N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]-1-propanaminearyl sulfide
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-aminepyrimido-indole
1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl esterindolecarboxamide
N-[3-(2-methoxyphenyl)-1-methyl-4-oxo-2-quinolinyl]-2-methylpropanamidequinolines
4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl esterdihydropyridine
3,4,5-trimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamidebenzothiazoles
benzotriptbenzotript: anti-gastrinic; active group is amide; structure
2-(2-bromophenyl)-5-[(7-nitro-4-quinazolinyl)oxymethyl]-1,3,4-oxadiazolequinazolines
1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]ethanonepyrroles
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamidearomatic ether
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-furanylmethyl)benzamidesulfonamide
2-chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanonearomatic ketone
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamidepyrazoles;
ring assembly
N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamidesulfonamide
3-(4-methoxyphenyl)-1-phenyl-4-pyrazolaminepyrazoles;
ring assembly
1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3-(4-morpholinyl)propyl]thioureabenzimidazoles
2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanonebenzimidazoles
1-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanonebenzoylpyrazole
2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamidepyrazoles;
ring assembly
N-(1H-benzimidazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamidesulfonamide
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamidesecondary carboxamide
N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(8-quinolinylsulfonyl)acetamidequinolines
4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamidequinazolines
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamidebenzothiazoles
(4-tert-butylphenyl)-[2-(4-fluorophenyl)-8-methyl-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]methanoneazaspiro compound
3-(1H-indol-3-yl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamidetryptamines
4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl esteraromatic amide;
furans;
isopropyl ester
mcb-613cyclic ketone;
enone;
pyridines
antineoplastic agent;
steroid receptor coactivator stimulator
6-bromo-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-propyl-4-quinazolinonequinazolines
4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamidebenzamides
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamidebenzimidazoles
2,5-dimethoxybenzenesulfonic acid (1,3-dioxo-2-isoindolyl) esterphthalimides
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) esterbenzoate ester;
phenols
1-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-[(4-chlorophenyl)methyl]thioureafuroic acid
1-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thioureamethoxybenzenes;
substituted aniline
5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazoletetrazoles
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolaminearomatic ether
6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-pyridinyl)-4-quinolinecarboxamidequinolines
N-(2-naphthalenyl)-2-[[6-[[[2-(2-naphthalenylamino)-2-oxoethyl]thio]methyl]-2-pyridinyl]methylthio]acetamidenaphthalenes
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamidedibenzofurans
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamidesulfonamide
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinyl)methanonepyrimidines
2-[benzenesulfonyl-(phenylmethyl)amino]-N-ethylacetamidesulfonamide
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acidbenzamides
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-propan-2-ylphenyl) esteralkylbenzene
3,4-dimethoxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamidebenzamides
1-[(7-chloro-4-quinolinyl)amino]-3-(2,4-dichlorophenyl)thioureaorganochlorine compound;
quinolines
1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-(4-methyl-2-pyridinyl)ureaolefinic compound
2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolaminebenzothiazoles
N-(1H-benzimidazol-2-yl)-4-(dimethylsulfamoyl)benzamidesulfonamide
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamidemorpholines
3-[2-(4-fluorophenyl)-4-quinolinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepinequinolines
N-[[2-(diethylamino)ethylamino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamidepyrazoles;
ring assembly
1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] esteracridines
3-methyl-5-[[1-oxo-2-(2-pyridinylmethylamino)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl esteramino acid amide
N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-2-furancarboxamidefuroic acid
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] esteraromatic ether
N,N-diethyl-2-[(4-fluorophenyl)methylthio]-1,3-benzoxazole-5-sulfonamidebenzoxazole
2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanonearomatic ketone
4-(4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl esterorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
N-[(1-adamantylamino)-oxomethyl]-2-chloroacetamideN-acylurea
4-methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acidmethoxybenzoic acid
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamidearomatic amine;
tertiary amino compound
2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamidesulfonamide
2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] esterbenzoate ester;
phenols
2-chloro-N-[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]acetamideorganochlorine compound
2-(1-benzimidazolyl)acetic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] esteralpha-amino acid ester
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamidearomatic amide
5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] estercarboxylic ester
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamideorganonitrogen compound;
organooxygen compound
4-[(1-methyl-5-tetrazolyl)thio]-5-phenylthieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
2-chloro-1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanonearomatic ketone
2-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]acetamidearyl sulfide
N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamidebenzodioxoles
2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanonearomatic amine
2-(2,3-dichlorophenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamideindanes
4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamidebenzamides
3,4-dimethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamidedimethoxybenzene
2-chloro-N-[(5-chloro-2-thiophenyl)methyl]-N-methylacetamidethiophenes
2-(2,4-dichlorophenoxy)-N-[2-(methylthio)phenyl]acetamideanilide
N'-(4-quinazolinyl)acetohydrazidequinazolines
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolaminetetrazoles
1-[4-(3-chloro-2,4,6-trifluorophenyl)sulfonyl-1-piperazinyl]ethanonesulfonamide
3-(diethylsulfamoyl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] esterbenzoate ester
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamideanilide
5,6-dimethyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4-thieno[2,3-d]pyrimidinamineorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl]-3-pyridazinonearomatic ketone
N-[3-(4-morpholinyl)propyl]-3-(3-pyridinyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amineorganonitrogen heterocyclic compound
2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cyclopropylacetamidequinazolines
N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamidebenzamides
2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrilenitrile;
pyridines
5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrilesubstituted aniline
N-benzyl-N'-methyl-N-(pyridin-3-ylmethyl)thioureapyridines
5-Methyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-onepyridazines
3-(4-Chloroanilino)propanoic acidorganonitrogen compound;
organooxygen compound
2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-aminequinolines
6-cyclohex-3-enyl-5-nitropiperidin-2-onepiperidones
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-onepyrazoles
2,2-dimethyl-N-pyridin-4-yl-3H-benzofuran-7-carboxamide1-benzofurans
N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamidering assembly;
thiophenes
3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl esterthiophenecarboxylic acid
4-(2-fluorophenyl)-N-(2-methylbut-3-yn-2-yl)benzamidebiphenyls
N'-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazidecarbonyl compound;
organohalogen compound
N-(4-chlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolyl]-1,2,4-triazol-3-yl]thio]acetamideanilide
N-(2-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]acetamideanilide
N-(6-methoxy-3-pyridinyl)-2-thiophenecarboxamidearomatic amide;
thiophenes
3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thionedichlorobenzene
2,6-dichlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] esterphenylpyridine
3-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazolepyrazoles;
ring assembly
2-(2-Thienyl)-1,3-thiazole-4-carboxylic acidaromatic carboxylic acid;
thiazoles
stattic1-benzothiophenes;
C-nitro compound;
sulfone
antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor
6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine: inhibitor of SARS-CoV main protease; structure in first sourcesulfonic acid derivativeanticoronaviral agent
3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]propanoic acid ethyl esteraryl sulfide
N-[amino(1-pyrrolidinyl)methylidene]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamidedichlorobenzene
2,6-dimethoxy-N-(1-methyl-1H-pyrazol-5-yl)benzamidedimethoxybenzene
5-tert-butyl-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamidearomatic amide
5-[[[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl esteraromatic amide;
furans
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-onetriazoles
N'-(3-chloro-4-methylphenyl)-5-isoxazolecarbohydrazidephenylhydrazines
2-(1,3-dimethyl-1H-pyrazol-5-yl)-1H-isoindole-1,3(2H)-dionephthalimides
2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidineimidazoles
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamidesulfonamide
LSM-28486pyrazolopyrimidine
3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acidpyrazoles;
ring assembly
1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dioneanthraquinone
2-amino-4-(2-chlorophenyl)-6-[(4-chlorophenyl)thio]pyridine-3,5-dicarbonitrilephenylpyridine
2-[5-[(3-chlorophenyl)thio]-2-thiophenyl]pyridinearyl sulfide
8-methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl esterthiophenecarboxylic acid
2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole: an amyloid imaging agent; structure in first source
2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] estermonoterpenoid
3,3,3-trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoic acid methyl estercarbamate ester
3-[[sulfanylidene-[[2,2,2-trichloro-1-[[(3-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acidthioureas
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine: an mTOR activator; structure in first source
(4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanonearomatic ketone
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamineN-alkylpyrrolidine
N-[2-(4-chlorophenoxy)ethyl]-5-(3,5-dimethyl-1-piperazinyl)-2-nitroanilinepiperazines
2-(4,6,7-Trimethyl-2-quinazolinyl)guanidinequinazolines
4-ethyl-2-methoxy-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalinepyrroline
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl estermethoxybenzenes;
phenols
2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-6-nitro-1H-benzimidazolearyl sulfide
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamidehydroxyquinoline
N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamidemonoterpenoid
N-[4-methyl-5-[2-(3-nitroanilino)-4-thiazolyl]-2-thiazolyl]acetamideC-nitro compound
N-(4-fluorophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamidepiperazines
4-chloro-3-(diethylsulfamoyl)-N-(2-nitrophenyl)benzamidebenzamides
2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamidesulfonamide
1-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrileaminopyridine
4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] esterbenzenesulfonate ester
(3-amino-5-nitro-2-benzofuranyl)-phenylmethanonearomatic ketone
3-acetamidobenzoic acid [2-(4-methylphenyl)-2-oxo-1-phenylethyl] esterbenzoins
1-(3,4-dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dionepyrrolidines
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamidexanthenes
4-ethoxy-N-(3-quinolinyl)benzenesulfonamidequinolines
2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dioneisoquinolines
N-[4-(butylsulfamoyl)phenyl]-2-phenyl-2-(phenylthio)acetamidesulfonamide
1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoneolefinic compound
importazoleimportazole: an importin-8 inhibitor; structure in first sourcequinazolines
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamidesulfonamide
N-[amino-[2-(1H-indol-3-yl)ethylimino]methyl]-4-chlorobenzamideindoles
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-3-dibenzofuranyl)acetamidedibenzofurans
1-[2-(hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanolindoles
1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)ureapiperazines
2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-hydroxy-3-phenyl-1-isoindolonepyrazoles;
ring assembly
1-(4-methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazinepiperazines
cb 7969312organochlorine compound;
quinolines
4H-[1,3]thiazino[3,2-a]benzimidazol-4-olbenzimidazoles
2-[1-(4-chlorophenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-4-imidazolidinyl]-N-(4-fluorophenyl)acetamideimidazolidines
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]-1-piperidinecarboxamidearomatic ketone
1-(1,3-benzodioxol-5-yl)-3-[4-(4-hydroxyphenyl)-1-piperazinyl]pyrrolidine-2,5-dionepiperazines
1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]ethanonesulfonamide
1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl estercarboxylic acid;
piperidines
3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylanilinedialkylarylamine;
tertiary amino compound
N-[1-oxo-1-[[4-(2-pyridinyl)-2-thiazolyl]amino]propan-2-yl]-2-furancarboxamideN-acyl-amino acid
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamideamphetamines
LSM-1318oxa-steroid
telaprevircyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
bms 387032N-(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
darutigenoldarutigenol: from Siegesbeckia glabrescens Mak; structure given in first source
bradykinin (1-5)bradykinin (1-5): a stable marker of bradykinin production in vivo; a metabolite of bradykinin degradation in plasma
silybin
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamidearomatic ether;
C-nitro compound
2-[8-(6-amino-1H-benzimidazol-2-yl)octyl]-3H-benzimidazol-5-aminebenzimidazoles
N-methyl-5-nitro-N-(phenylmethyl)-2-furancarboxamideC-nitro compound;
furans
2-[[2,2,2-trichloro-1-[(2,2-dimethyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl esterthiophenecarboxylic acid
N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2-fluorobenzamidebenzamides
phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanonearomatic ketone
2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrileindoles
N'-[(2-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazidearomatic carboxylic acid;
pyridinemonocarboxylic acid
N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyanilinetriazoles
3-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamidesulfonamide
1-[3-(benzenesulfonyl)-2-(1-piperidinyl)propyl]piperidinesulfonamide
6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) estercarboxylic ester
5-methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dioneindoles
N-(2-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide
2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamidebenzoxazole
N-[2-[1-methyl-5-[[(4-methylphenyl)-oxomethyl]amino]-2-benzimidazolyl]ethyl]-2-furancarboxamidebenzimidazoles
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
4-amino-N5-(4-butoxyphenyl)-N5-[2-(cyclohexylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamidearomatic amide
N-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-oxolanylmethyl)-5-phenyl-1H-pyrrole-2-carboxamidepyrroles
1-[2-(diethylamino)ethyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-(2-oxolanylmethyl)thioureaquinolines
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamidequinolines
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamideazaspiro compound
2-[(3,6-dimethyl-2-quinolinyl)thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanonequinolines
3-(2,4-dimethoxyphenyl)-1-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thioureaquinolines
CID 3192987N-arylpiperazineanticoronaviral agent
[4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine
2-[2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl estertetrazoles
N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamidearomatic amide;
furans
anticoronaviral agent
2-[2-methoxyethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamidemonoterpenoid
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanoneimidazoles
1-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-phenylphenyl)ureapiperidines
1-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)thioureathioureas
N1-cyclohexyl-N2-cyclopropylpyrrolidine-1,2-dicarboxamideproline derivative
1-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-(3-methoxypropyl)thioureaaminoquinoline
[4-[5-tert-butyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine
N-[2-(3-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-N',N'-dimethylpropane-1,3-diaminepyrimidines
1-[(4-fluorophenyl)methyl]-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamidearomatic amide
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl esterbenzothiazoles
2-[(3-methoxyphenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl esterbenzoic acids
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methyl-2-imidazo[2,1-b]thiazolecarboxamideimidazoles
4-[[2-(4-methoxyphenyl)-6-imidazo[2,1-b][1,3]benzothiazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl esterimidazoles
4-[(1-methyl-2-oxo-4-quinolinyl)oxy]-N-(4-methyl-2-pyridinyl)butanamidequinolines
5-(phenylmethoxymethyl)-7-(1-piperidinylmethyl)-8-quinolinolhydroxyquinoline
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamideindanes
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-pyridinecarboxamide1,3-oxazoles
3-chloro-4-ethoxy-N-[3-(2-oxazolo[5,4-b]pyridinyl)phenyl]benzamidebenzamides
3,7-dimethyl-2-(methylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
5-methyl-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamidepyrazoles;
ring assembly
1-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[2-(dipropylamino)ethyl]-4-piperidinecarboxamide1,3-oxazoles
N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamidepiperazines;
pyridines
2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-[3-(1-pyrrolidinyl)propyl]acetamide1,3-oxazoles
6-[(2-ethylphenyl)sulfamoyl]-N-(2-furanylmethyl)-4-oxo-1H-quinoline-3-carboxamidearomatic amide;
quinolines
2-amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrilearyl sulfide
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamideureas
2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamidedimethoxybenzene
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl esterethyl ester;
pyrroles;
tertiary carboxamide
2-[3-[3-(2-furanylmethylamino)-3-oxopropyl]-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetic acid (phenylmethyl) esteralpha-amino acid ester
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-4-piperidinecarboxamide1,3-oxazoles
N-butan-2-yl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamidearomatic amide;
quinolines
3-methyl-5-(4-morpholinylsulfonyl)-N-(2-pyridinylmethyl)-2-benzofurancarboxamidebenzofurans
4-[3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl esterorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzenesulfonamidebenzenes;
sulfonamide
2-(6-amino-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acidbenzoic acids;
pyranopyrazole
rs-130830RS-130830: orally-active broad-spectrum matrix metalloproteinase inhibitor
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamidesulfonamide
N-[4-(difluoromethoxy)phenyl]-4-(phenylmethyl)-1-piperazinecarbothioamidethioureas
N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamineC-nitro compound
2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-6,8-dihydro-4H-1-benzopyran-3-carbonitrilepyrazoles;
ring assembly
N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamideoxadiazole;
ring assembly
2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-2H-pyridinemethoxybenzenes
N-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)-4-thiazolecarboxamidearomatic amide;
thiazoles
5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] esterbenzoate ester;
phenols
1-(3-methoxyphenyl)-3-[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]ureaureas
1-(3,4-dichlorophenyl)-3-[1-(4-morpholinyl)-1-phenylpropan-2-yl]ureaureas
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) esterorganonitrogen compound;
organosulfur compound
LSM-16990organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamideorganonitrogen compound;
organooxygen compound
2-benzoylimino-1-(2-furanylmethyl)-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl esterpyridopyrimidine
N-[5-ethyl-3-[(4-fluorophenyl)-(4-morpholinyl)methyl]-2-thiophenyl]benzamidebenzamides
1-(Chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-olindolesanticoronaviral agent
1-(4-butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thioureasulfonamide
2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl esterorganofluorine compound
N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamidepiperazines
N'-[(3-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazidearomatic carboxylic acid;
pyridinemonocarboxylic acid
2-(4-methoxyphenyl)-N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-4-quinolinecarboxamidequinolines
2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamidebenzothiazoles
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thionearomatic ether
ML162ML162 : A monochlorobenzene that is benzene substituted by (chloroacetyl){2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl}amino, chloro and methoxy groups at positions 1, 3 and 4, respectively. It is a covalent inhibitor of glutathione peroxidase 4 (GPX4) that induces ferroptosis in cells.monochlorobenzenes;
monomethoxybenzene;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide;
thiophenes
EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer
2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamideorganonitrogen compound;
organooxygen compound
2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamideorganonitrogen compound;
organooxygen compound
2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamidediarylmethane
5-[3-[[(4-methylphenyl)-oxomethyl]hydrazo]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid dimethyl esteramidobenzoic acid
4-chloro-N-(2-methoxy-1-phenazinyl)benzamidephenazines
3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-onering assembly;
thiophenes
LSM-1924organic heterotricyclic compound;
organooxygen compound
2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrilearomatic ketone
N4-(3-fluorophenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamineC-nitro compound
2-(4-chlorophenyl)-5-methyl-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl esterorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamidearomatic ether
4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thionetriazoles
1-bromo-3-(5,5-dimethyl-3-phenyl-4H-pyrazolo[4,3-a]carbazol-10-yl)-2-propanolcarbazoles
5-tert-butyl-7-(4-ethyl-1-piperazinyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidineN-arylpiperazine
2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-onedimethoxybenzeneanticoronaviral agent
N-(4-phenylmethoxyphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamideorganonitrogen compound;
organooxygen compound
1-(4-chlorophenyl)-3-[2-(2-furanylmethyl)cyclohexyl]ureaureas
4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-onepyrazoles;
ring assembly
1-[4-(3-chlorophenyl)-1-piperazinyl]-2-phenyl-1-butanonepiperazines
2-furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanonesulfonamide
1-(Chloroacetyl)-5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-thien-2-yl-4,5-dihydro-1H-pyrazolemethoxybenzenesanticoronaviral agent
6-nitro-3-phenyl-1H-benzimidazole-2-thionebenzimidazoles
LSM-22738organic heterotricyclic compound;
organooxygen compound
fg 9041FG 9041: structure given in first sourcequinoxaline derivative
N-(3,5-dichloro-2-pyridinyl)-2-[(4-methyl-2-quinolinyl)thio]propanamidequinolines
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidinebenzodioxine;
thienopyrimidine
2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-onebenzimidazoles
N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamidetriazolopyridine
4-tert-butylbenzoic acid [2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl] esterdibenzofurans
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-quinolinecarboxamidearomatic amide
4-oxo-4-thiophen-2-ylbutanoic acid [2-(ethylamino)-2-oxoethyl] esteroxo carboxylic acid
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamideanthraquinone
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thioureaindoles
[4-[(2-chlorophenyl)methylsulfonyl]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanonepiperazines;
pyridines
2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrilequinolines
7-chloro-4-[(2-fluorophenyl)-oxomethyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-onebenzodiazepine
4-amino-3-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-2-sulfanylidene-5-thiazolecarboxamidearomatic amide
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione: a GSK3beta inhibitor

TDZD-8 : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta). An experimental compound which was being developed for the potential treatment of Alzheimer's disease.
benzenes;
thiadiazolidine
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamidequinolines
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanonequinolines
2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamidebenzamides
7-(1-azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidinepyrazoles;
ring assembly
LSM-16386monoterpenoid
2-(4-methoxyphenyl)sulfonylquinoxalinequinoxaline derivative
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(dimethylsulfamoyl)benzamidesulfonamide
2-(hexylamino)-1-[4-(phenylmethyl)-1-piperidinyl]ethanonepiperidines
5-(4-fluorophenyl)-7-(3-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-aminetriazolopyrimidines
N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamideC-nitro compound;
secondary carboxamide;
tertiary carboxamide;
trifluoroacetamide
1-[(2,4-dichlorophenyl)methyl]-4-(methylthio)-2-oxo-6-phenyl-3-pyridinecarbonitrilephenylpyridine
6-benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinonearomatic ketone
N-[3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxo-1-pyrrolidinyl)benzamidebenzamides
4-(3-chlorophenyl)sulfonyl-N-cyclohexyl-N-methyl-3-nitrobenzamideC-nitro compound
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamineC-nitro compound
N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-methylbenzamidebenzamides
N-(3-methoxyphenyl)-1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxamidearomatic amide
2-(N-(2-chloro-1-oxoethyl)-4-fluoroanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamideorganonitrogen compound;
organooxygen compound
2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamideorganonitrogen compound;
organooxygen compound
2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(3-pyridinyl)acetamideorganonitrogen compound;
organooxygen compound
4-(2,5-dioxo-1-pyrrolidinyl)-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamideamidobenzoic acid
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-phenylethyl]thioureathioureas
5-nitro-2-furancarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] estersulfonamide
3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)ureaorganofluorine compound
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamidebenzamides
4-bromo-N-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamidecarbonyl compound;
organohalogen compound
N-(3-chlorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridinylmethyl)-5-thiazolidinyl]acetamideanilide
2-chloro-N-(1,2-diphenylethyl)acetamidestilbenoid
1-(2-methoxy-3-dibenzofuranyl)-3-(3-methylphenyl)thioureadibenzofurans
2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanonetoluenesanticoronaviral agent
N-(1-dibutoxyphosphoryl-4-oxo-1-naphthalenyl)benzenesulfonamidenaphthalenes
2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamidearomatic ketone
N-[3-(1-azepanylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamidearomatic amide
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dionearomatic ether
2-bromo-6-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-11-pyrido[2,1-b]quinazolinonepyridopyrimidine
1-(3-chlorophenyl)-3-pyridin-4-ylureaureas
2-(4-bromophenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) esterquinolines
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamidebenzamides
4-chloro-N-[3-(N-methylanilino)-1,4-dioxo-2-naphthalenyl]benzamide1,4-naphthoquinones
4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 8-quinolinyl esteramidobenzoic acid
8-nitro-5-[3-(trifluoromethyl)-1-piperidinyl]isoquinolineisoquinolines
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(3-pyridinyl)-4-quinazolinamineorganonitrogen heterocyclic compound
7-chloro-N-(phenylmethyl)-4-quinolinamineaminoquinoline
1-(2,4-difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]ureaureas
1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] estersulfonamide
N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxolanylmethoxy)benzamidebenzamides
2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinaminepiperidines
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(dimethylamino)propyl]-1-ethylthioureabenzodioxine
1-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[3-(dimethylamino)propyl]thioureaindoles
4-[4-(4-acetylphenyl)-1-piperazinyl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamidearomatic ketone
2-[[4-(2-methoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrilesulfonamide
LSM-24516pyranopyridine
2-(Chloroacetyl)-N,2-diphenylhydrazinecarboxamideureasanticoronaviral agent
2-chloro-1-[1-(3-isoxazolyl)-2,5-dimethyl-3-pyrrolyl]ethanonearomatic ketone
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amineN-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a pyridin-3-yl group and a (1-benzylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively.aromatic amine;
piperidines;
pyridines;
quinazolines;
secondary amino compound;
tertiary amino compound
N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamideamino acid amide
5-[(3-nitro-2-pyridinyl)thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-aminearyl sulfide
LSM-24595amino acid amide
N-(4-Nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamidearomatic amideanticoronaviral agent
[5-(4-fluorophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[2-(3-pyridinyl)-1-piperidinyl]methanonepyrimidines
2-(4-methylphenoxy)-N-[2-[oxo(1-piperidinyl)methyl]phenyl]acetamidebenzamides;
N-acylpiperidine
2-Chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-onepyrazolidinesanticoronaviral agent
2-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl esteralpha-amino acid ester
5-carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl esteramino acid amide
N-[(4-chlorophenyl)methyl]-2-[[[(2-fluorophenyl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]acetamideamino acid amide
1-(7-methyloctyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thioureasulfonamide
alsterpaullonealsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.

alsterpaullone: structure in first source
C-nitro compound;
caprolactams;
organic heterotetracyclic compound
anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor
5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrilearomatic ketone
LSM-25964organic heterotricyclic compound;
organooxygen compound
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methyl-4-piperidinyl)amino]acetamideamino acid amide
2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazoleC-nitro compound
1-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylureasulfonamide
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-2-furancarboxamidedichlorobenzene
4-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolonepyrazoles;
ring assembly
4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamidebenzamides
N,N-diethylcarbamodithioic acid (2,2,2-trichloro-1-formamidoethyl) esterorganonitrogen compound;
organosulfur compound
5-benzoyl-6-methyl-4-[4-(4-morpholinyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-onemorpholines
N-(5-acetyl-4-methyl-2-thiazolyl)-2-(2,4-dichlorophenoxy)acetamidethiazoles
ginkgetinginkgetin : 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
quercetin7-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
apigeninChamomile: 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.trihydroxyflavoneantineoplastic agent;
metabolite
luteolin3'-hydroxyflavonoid;
tetrahydroxyflavone
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
linoleic acidlinoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.

Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed)
octadecadienoic acid;
omega-6 fatty acid
algal metabolite;
Daphnia galeata metabolite;
plant metabolite
8,11,14-eicosatrienoic acid8,11,14-Eicosatrienoic Acid: A 20-carbon-chain fatty acid, unsaturated at positions 8, 11, and 14. It differs from arachidonic acid, 5,8,11,14-eicosatetraenoic acid, only at position 5.

all-cis-icosa-8,11,14-trienoic acid : An icosatrienoic acid having three cis double bonds at positions 8, 11 and 14.
fatty acid 20:3;
long-chain fatty acid
fungal metabolite;
human metabolite;
nutraceutical
gossypetingossypetin : 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
cyclosporine
kaempferol7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone
antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
gamma-linolenic acidgamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12.

gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed)
linolenic acid;
omega-6 fatty acid
human metabolite;
mouse metabolite;
plant metabolite
alpha-linolenic acidlinolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid.

linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.
linolenic acid;
omega-3 fatty acid
micronutrient;
mouse metabolite;
nutraceutical
Euparotin acetatesesquiterpene lactone
amentoflavonebiflavonoid;
hydroxyflavone;
ring assembly
angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
datiscetindatiscetin : A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5.7-hydroxyflavonol;
tetrahydroxyflavone
galangin5,7-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
hinokiflavonehinokiflavone : 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
morinmorin : 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
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
sciadopitysinsciadopitysin : 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
3,4-di-o-caffeoylquinic acid3,4-di-O-caffeoylquinic acid: isolated from Siphonostegia chinensisquinic acid
caffeic acid phenethyl esterphenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component.alkyl caffeate esteranti-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 acidgeroprotector;
plant metabolite
ellagic acidcatechols;
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
ginkgolic acidhydroxybenzoic acid
l 660,711quinolines
astragalinkaempferol 3-O-beta-D-glucoside : A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage.

kaempferol-3-O-glucoside: isolated from the pit of Mahkota dewa; structure in first source
beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone
plant metabolite;
trypanocidal drug
n-oleoyldopamineN-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
fondaparinuxfondaparinux : A synthetic pentasaccharide which, apart from the O-methyl group at the reducing end of the molecule, consists of monomeric sugar units which are identical to a sequence of five monomeric sugar units that can be isolated after either chemical or enzymatic cleavage of the polymeric glycosaminoglycans heparin and heparan sulfate.

Fondaparinux: Synthetic pentasaccharide that mediates the interaction of HEPARIN with ANTITHROMBINS and inhibits FACTOR Xa; it is used for prevention of VENOUS THROMBOEMBOLISM after surgery.
amino sugar;
oligosaccharide sulfate;
pentasaccharide derivative
anticoagulant
camostat mesylatemethanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
as 604850
alvocidibalvocidib : 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
cyclotheonamide acyclotheonamide A: a cyclic peptide isolated from the marine sponge Theonella; structure given in first source
fenretinide4-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
tmi-1
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-3-isoxazolecarboxamidearomatic amide;
heteroarene
2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-oneisoindoles
2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamidebenzothiazoles
3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamidepyrazoles;
ring assembly
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-oneindoles
11,14,17-eicosatrienoateall-cis-icosa-11,14,17-trienoic acid : An icosatrienoic acid having three cis- double bonds at positions 11, 14 and 17.fatty acid 20:3;
omega-3 fatty acid
bilobetinbilobetin: a phospholipase A2 antagonistflavonoid oligomer
isocryptomerinisocryptomerin: an antifungal agent isolated from Selaginella tamariscina; structure in first source
isoginkgetinisoginkgetin : 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
podocarpusflavone apodocarpusflavone A: isolated from Podocarpus imbricatusflavonoid oligomer
(2e)-3-phenyl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one
Bucharainequinolines
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 11-7085BAY11-7085 : 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
methyl-3-methoxy-4-hydroxystyryl ketonemethyl-3-methoxy-4-hydroxystyryl ketone: structure given in first source; RN given refers to cpd without isomeric designationhydroxycinnamic acid
Isoliquiritigenin 4,4'-dimethyl etherchalcones
batimastatbatimastat : 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-propenoatecinnamate ester
grifolingrifolin: antibiotic isolated from Grifola confluenssesquiterpenoid
2-(4-(dimethylamino)styryl)benzothiazole2-(4-(dimethylamino)styryl)benzothiazole: structure in first source
serratinserratin: isolated from the essential oil of Clerodendron serratum; structure in first sourceneoflavonoid
cisplatindiamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent
ximelagatranximelagatran : A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage.

ximelagatran: prodrug (via hydroxylation) of melagatran & a direct thrombin inhibitor; liver toxicity concerns so AZD0837 being developed to replace this
amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
sequoiaflavonesequoiaflavone: Isolated from Ginkgo biloba; structure in first source
w-13
otamixabanotamixaban: structure in first source
3,3'-diethylthiatricarbocyanine iodide, 3h-labeled
5233705 compound
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-onepyridochromene
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one: structure given in first source; potent irreversible, mechanism-based inhibitor of myocardial calcium-independent phospholipase A2naphthalenes
[4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanonepiperazines;
pyridines
1-(3,4-dimethylphenyl)-4-(4-methyl-1-piperidinyl)phthalazinepyridazines;
ring assembly
2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanonearomatic ketone
4-hydroxyderricin4-hydroxyderricin: from Angelica keiskei; RN given refers to (E)-isomer; structure in first sourcechalcones
eicosa-11,14-dienoic acid, (z,z)-isomer(11Z,14Z)-icosadienoic acid : An icosadienoic acid with double bonds at positions 11 and 14 (both Z).

icosadienoic acid : A 20-carbon, polyunsaturated fatty acid having two double bonds at unspecified positions.
icosadienoic acidmetabolite
kolavenic acidkolavenic acid: from Polyalthia longifolia; structure given in first source; RN given refers to (1S-(1alpha(E),2beta,4abeta,8aalpha))-isomer; RN for cpd without isomeric designation not avail 3/92
su 4312SU4312 : 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.
1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylureaureas
4,5-di-O-caffeoylquinic acidquinic acid
indigo carmine3,5-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 aciddaurichromenic acid: structure in first source
methyl chlorogenatemethyl chlorogenate: from Eriobotrya japonica; structure in first sourcequinic acid
2-chloro-N-(1-methyl-3-pyrazolyl)acetamidearomatic amide
clovamideclovamide: RN given for (Z)-isomer; structure in first sourcetyrosine derivative
(3S)-2-(2-chloro-1-oxoethyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid methyl esterharmala alkaloid
b 43RK-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
N-(5-carbamoyl-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamidearomatic amide
ik 682IK 682: inhibits TNF-alpha converting enzyme; structure in first sourcehydroxamic acid;
pyrrolidin-2-ones;
quinolines
bms 7408081-(3-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-6-(2'-(3-hydroxy-N-pyrrolidinyl)methyl-(1,1')-biphen-4-yl)-1,4,5,6-tetrahydropyrazolo-(3,4-c)-pyridin-7-one: structure in first source
edelfosine(R)-edelfosine : A 1-octadecyl-2-methylglycero-3-phosphocholine that is the (R)-enantiomer of edelfosine.1-octadecyl-2-methylglycero-3-phosphocholine
napsagatrannapsagatran: structure given in first source
talabostattalabostat: an antineoplastic agent; structure in first source
N-[(2-chlorophenyl)methyl]-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamidetriazolopyrimidines
N-cyclohexyl-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamidepyridazines;
ring assembly
3-(ethylthio)-6-(2-furanyl)pyridazinearyl sulfide
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamidebenzothiazoles
n-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamideN-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide: a KCC2 cotransporter antagonistpyridazines;
ring assembly
4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenolimidazoles
N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamidequinolines
2-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]ethanaminesulfonamide
N-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamideindanes
3-(diphenylmethylene)-1-[4-(4-phenyl-1-piperazinyl)butyl]pyrrolidine-2,5-dionediarylmethane
alpha-solanineglycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative
antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite
bis(7)-tacrinesecondary amino compoundapoptosis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent
N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-3-pyrazolecarboxamidearomatic amide
N-[3-(4-morpholinyl)propyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamidequinazolines
1-(3,5-dimethylphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)ureabenzothiazine
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide;
thiophenes
n,n-(4-xylylidene)bisaminoguanidineN,N-(4-xylylidene)bisaminoguanidine: RN in Chemline for di-HCl: 7044-24-8; RN for unspecified HCl: 62580-72-7

N,N'-(p-xylylidene)bis(aminoguanidine) : A guanidine derivative comprised of two carbamimidamido (guanidino) groups, each linked via one of their amino nitrogens to the imino nitrogens of 1,4-phenylenedimethanimine.
bms-262084BMS-262084: an azetidinone-based tryptase inhibitor; structure in first source
epigallocatechin-3-o-(3''-o-methyl)-gallatecatechin
ym 60828YM 60828: YM-466 is the mesylate salt
n-phenacylthiazolium bromideN-phenacylthiazolium bromide: structure given in first source
ro 32-3555Ro 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
2-(4'-methylaminophenyl)benzothiazole2-(4'-methylaminophenyl)benzothiazole: binds amyloid-beta fibrils; structure in first source
rivaroxabanrivaroxaban : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery.

Rivaroxaban: A morpholine and thiophene derivative that functions as a FACTOR XA INHIBITOR and is used in the treatment and prevention of DEEP-VEIN THROMBOSIS and PULMONARY EMBOLISM. It is also used for the prevention of STROKE and systemic embolization in patients with non-valvular ATRIAL FIBRILLATION, and for the prevention of atherothrombotic events in patients after an ACUTE CORONARY SYNDROME.
aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
sb 3ct compoundSB 3CT compound: a matrix metalloproteinase-2 inhibitor; structure in first sourcearomatic ether
pd 166793
sc 78080
n-alpha-(2,4,6-triisopropyl-phenylsulfonyl)-3-amidino-(l)-phenyl-alanine-4-ethoxycarbonyl-piperazide hydrochloride
dpc 423
ro 31-9790Ro 31-9790: hydroxamic acid derivative
gw 813893
l 374087
darexaban
l-873724L-873724: a selective inhibitor of cathepsin K; structure in first source
lb 30057
lissamine rhodamine blissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion.organic sodium saltfluorescent probe;
fluorochrome;
histological dye
memoquinmemoquin: structure in first source
ly517717LY517717: an oral anticoagulant
1-(2-cyano-3,12-dioxooleana-1,9-dien-28-oyl) imidazole
chf 50741-(3',4'-dichloro-2-fluoro(1,1'-biphenyl)-4-yl)cyclopropanecarboxylic acid: a beta-amyloid(1-42) lowering agent; structure in first source
arp-100
kb r8301
propyl caffeatepropyl caffeate: has antioxidant activity; structure in first source
4-(6-iodo-2-imidazo[1,2-a]pyridinyl)-N,N-dimethylanilineimidazoles
darexaban glucuronidedarexaban glucuronide: structure in first source
2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole
n-caffeoyldopamineN-caffeoyldopamine: structure in first source
a 443654A 443654: an Akt kinase inhibitor; structure in first sourceindoles
apixabanaromatic ether;
lactam;
piperidones;
pyrazolopyridine
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
betrixabanbetrixaban : A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade.

betrixaban: a highly potent, selective, and orally efficacious factor Xa inhibitor; structure in first source
benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
edoxabanedoxaban : A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor
garcinone egarcinone E: has potent cytotoxic effect against hepatocellular carcinoma cell lines; structure in first sourcexanthones
rpr 120844
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamideboceprevir : A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.tripeptide;
ureas
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
(z,z)-babch
anabaenopeptin banabaenopeptin B: from cyanobacteria Planktothrix (Oscillatoria) rubescens
dysinosin adysinosin A: structure in first source
2-(4-methoxyphenyl)-1,2-benzothiazol-3-onebenzothiazoles
2-(4-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
abt-737aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound
anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamideN(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
bms-566394BMS-566394: structure in first source
lipocrinelipocrine: anti-Alzheimer's drug; structure in first source
ditryptophenalineditryptophenaline: structure in first source
bay94 9172florbetaben ((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
gosogliptinamino acid amide
PF-00835231PF-00835231 : A primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity.aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide
anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
mrk 560MRK 560: a gamma-secretase inhibitor; MRK-560 is the (cis)-isomer; structure in first source
incb3619INCB3619: ADAM inhibitor; structure in first source
pd 0348292eribaxaban : A member of the class of pyrrolidines that is (2R,4R)-N(1)-(p-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide in which the nitrogen of the 2-carbamoyl group has been substituted by a 2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl group. It is a synthetic organic anticoagulant compound that targets activated factor Xa in the coagulation cascade.

N-(4-chlorophenyl)-N-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidiine-1,2-dicarboxamide: structure in first source
monochlorobenzenes;
monofluorobenzenes;
pyridone;
pyrrolidines;
secondary carboxamide;
ureas
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
serine protease inhibitor
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine: structure in first source

halicin : A member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties.
1,3-thiazoles;
C-nitro compound;
organic sulfide;
primary amino compound;
thiadiazoles
antibacterial agent;
c-Jun N-terminal kinase inhibitor
calcimycinCalcimycin: 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
[4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanoneC-nitro compound
2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamideorganonitrogen compound;
organooxygen compound
2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamideorganonitrogen compound;
organooxygen compound
2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamideorganonitrogen compound;
organooxygen compound
2-[2-fluoro-5-(4-methyl-1-piperazinyl)-4-nitrophenyl]-3,4-dihydro-1H-isoquinolinepiperazines
4-[3-(2-furanyl)-4-(3-nitrophenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl esterbenzoate ester
N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-quinazolinyl]propanamidequinazolines
5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamidenaphthalenecarboxamide
4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylthiazoleisoquinolines
[9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanonearomatic ketone;
quinolines
2-(3-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
ortho-topolin ribosideortho-topolin riboside: has antineoplastic activity; structure in first source
dehydrocurvularinmacrolide
malyngamide Adicarboximidemetabolite
kirenolkirenol: an antirheumatic agent isolated from Siegebeckia; structure in first sourcediterpenoid
n-trans-p-coumaroyl-l-tyrosineN-trans-p-coumaroyl-L-tyrosine: from Theobroma cacao; structure in first sourcetyrosine derivative
vizamylflutemetamol ((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
n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamineN-(3-fluorophenyl)-1-((4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine: a small molecule motilin receptor agonist; structure in first sourceacetamides
3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamidequinazolines
4-chloro-N-[3-(3-methyl-1-piperidinyl)propyl]-2-thieno[3,2-c]quinolinecarboxamideorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamidepyrimidinecarboxamide
(3-propan-2-yloxyphenyl)-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]methanonearomatic ketone
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetamidedimethoxybenzene
8-methyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5H-thieno[3,2-c]quinoline-2-carboxamideorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
1-(1-piperidinyl)-3-[4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenoxy]-2-propanol(trifluoromethyl)benzenes
[3-(1-methyl-2-pyrrolyl)-1H-pyrazol-5-yl]-[1-(2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanoneharmala alkaloid
N-(2-furanylmethyl)-2-[[4-oxo-3-[3-(1-pyrrolidinyl)propyl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2-(3,5-dimethyl-1-pyrazolyl)-1-[3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]ethanonearomatic ketone
1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methoxypiperidinepyrazoles;
ring assembly
N-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrazolyl)-1-propanaminepyrazoles;
ring assembly
[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanolmethylindole
[1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol1-benzopyran
[1-[(1,2-dimethyl-3-indolyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanolpiperidines
1-(5-isoquinolinylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl esterpiperidines
5-[[1-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]-2-methylthiazoleharmala alkaloid
[1-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-(2,4-dimethoxyphenyl)methanonearomatic ketone
1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidinepyrazoles;
ring assembly
1-(2-chloro-4-methylphenyl)-3-[[1-[(3-chlorophenyl)methyl]-4-piperidinyl]methyl]ureapiperidines
N-[3-(1-azepanyl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamidequinazolines
4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidinepiperidines
N-(4-ethoxyphenyl)-2-[4-[2-(methylthio)ethyl]-2,5-dioxo-1-imidazolidinyl]acetamideimidazolidine-2,4-dione
2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanolorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamidepyrimidinecarboxamide
5-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(4-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxamidepyrimidinecarboxamide
(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-aminebenzenes
(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine(trifluoromethyl)benzenes
WAY-316606WAY-316606 : A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1).(trifluoromethyl)benzenes;
piperidines;
secondary amino compound;
sulfonamide;
sulfone
secreted frizzled-related protein 1 inhibitor
(2S)-2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl esteraromatic amide;
tert-butyl ester
1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thioureamonoterpenoid
N-butyl-4-(phenylmethyl)-1-piperidinecarbothioamidepiperidines
2-(2,5-dichlorophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-butanoneazaspiro compound
2,3,4,10-tetrahydro-7,10-dimethyl-2,4-dioxobenzo(g)pteridineflavin
1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)propyl]thioureamonoterpenoid
1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thioureathioureas
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamidebenzothiazine
dihydroisostevioldihydroisosteviol: isolated from Stevia rebaudiana; structure in first source
5-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
2-(2-fluorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
pf-429242PF-429242: a subtilisin kexin isozyme-1/site-1 protease inhibitor
fractals(3S,5R)-fluvastatin sodium : An organic sodium salt resulting from the replacement of the proton from the carboxy group of (3S,5R)-fluvastatin by a sodium ion.organic sodium salt;
statin (synthetic)
2-[[2-(2-cyanophenoxy)-1-oxoethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl esterthienopyridine
mk-7009vaniprevir : An azamacrocyclic compound that is a hepatitis C virus (HCV) NS3/4A protease inhibitor which is approved for the treatment of hepatitis C virus infections in Japan.

vaniprevir: inhibits hepatitis C virus NS3/4a protease
azamacrocycle;
carbamate ester;
cyclopropanes;
N-sulfonylcarboxamide;
pyrrolidinecarboxamide
antiviral drug;
hepatitis C protease inhibitor
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridinedafadine A : An N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine.aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines
geroprotector;
P450 inhibitor
1-[(2,3-dimethyl-4-imidazolyl)methyl]-N-[4-(2-furanyl)phenyl]-3-piperidinecarboxamideanilide
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamidepyrazoles;
ring assembly
(2R)-N2-[2-(4-bicyclo[2.2.1]heptanyl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)pentan-2-yl]hexane-1,2-diaminemonoterpenoid
4-[(2S)-2-[2-(4-ethoxyphenyl)ethylamino]-3-[[(2S)-1-(methylamino)hexan-2-yl]amino]propyl]phenolamphetamines
(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-1-propanol(trifluoromethyl)benzenes
N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamidepiperidines
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-thiadiazolecarboxamidepyrazoles;
ring assembly
[2-(2-methoxyethyl)-1-piperidinyl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-3-isoxazolyl]methanonetriazoles
N-methyl-N-(3-pyridinylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-isoxazolecarboxamidetetralins
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamidearomatic ether
2-[[[4-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl esterN-acyl-amino acid;
tert-butyl ester
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamidearomatic ether
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamidepiperidines
florbetapir f 18florbetapir 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
(5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-aminesubstituted aniline
4-(4-acetyloxyphenyl)benzoic acid [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] esterbiphenyls
ucl 2077benzenoid aromatic compound
azd4694AZD4694: an Abeta plaque neuroimaging PET radioligand; structure in first source
ar 231453
6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile6-aminopurines
6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)-2-purinecarbonitrile6-aminopurines
9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrileimidazoles
e-52862
grassystatin agrassystatin A: isolated from a cyanobacterium, identified as Lyngbya cf.; structure in first source
2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamidebenzothiazoles
3-furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanoneN-arylpiperazine
(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
tak-632TAK-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
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)-3-quinolinecarboxamidearomatic amide
3-benzyl-4-hydroxyquinolin-2(1H)-onehydroxyquinoline;
quinolone
rpx7009RPX7009: a beta-lactamase inhibitor; structure in first source
CCT251545CCT251545 : A chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19.

CCT251545: a Wnt signaling inhibitor; structure in first source
azaspiro compound;
chloropyridine;
pyrazoles
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor
cyclic gmp3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine.

Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed)
3',5'-cyclic purine nucleotide;
guanyl ribonucleotide
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
sildenafilsildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.piperazines;
pyrazolopyrimidine;
sulfonamide
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
kf38789KF38789: a non-carbohydrate low MW cpd that Inhibits P-selectin specific cell adhesion; structure in first source
6-[5-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl esterpyrimidines
azaguanine8-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
nn 414NN 414: a hypoglycemic agent with insulin release modulating and potassium channel activating activities; structure in first source
xav939XAV939 : A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group.

XAV939: selectively inhibits beta-catenin-mediated transcription; structure in first source
(trifluoromethyl)benzenes;
thiopyranopyrimidine
tankyrase inhibitor
ag-879AG-879: structure given in first source
N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonamidesulfonamide
salicylaldehyde thiosemicarbazonesalicylaldehyde thiosemicarbazone: structure given in first source
7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-onepyrimidines
N-[4-[2-[3-(dimethylsulfamoyl)anilino]-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamidesulfonamide
1-[4-[[oxo-(7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)methyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl esteraromatic amide
pyridoxal 4-methoxybenzoyl hydrazonepyridoxal 4-methoxybenzoyl hydrazone: structure given in first source
cnb 001
2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-onequinazolines
2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamidepyrimidines
hydrazinocurcuminhydrazinocurcumin : A pyrazole obtained by cyclocodensation of the two carbonyl groups of curcumin with hydrazine.

hydrazinocurcumin: structure in first source
aromatic ether;
olefinic compound;
polyphenol;
pyrazoles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazolepyrazoles;
ring assembly
nvp-tnks656