Page last updated: 2024-10-24

positive regulation of insulin secretion

Definition

Target type: biologicalprocess

Any process that activates or increases the frequency, rate or extent of the regulated release of insulin. [GOC:mah]

Positive regulation of insulin secretion is a complex process that involves a tightly regulated interplay of various signaling pathways and intracellular events. It is triggered by an increase in blood glucose levels, which leads to the release of insulin from pancreatic beta cells.

**1. Glucose Uptake and Metabolism:**
- Glucose enters beta cells via glucose transporter proteins (GLUT2).
- Glucose is then metabolized through glycolysis, the Krebs cycle, and oxidative phosphorylation, generating ATP.
- The increase in ATP/ADP ratio is crucial for triggering insulin secretion.

**2. ATP-sensitive Potassium Channels (KATP):**
- Increased ATP levels close KATP channels, leading to membrane depolarization.

**3. Voltage-gated Calcium Channels (VGCC):**
- Depolarization opens VGCCs, allowing calcium ions (Ca2+) to influx into the cell.

**4. Calcium-dependent Insulin Exocytosis:**
- The rise in intracellular Ca2+ triggers a cascade of events that lead to insulin exocytosis:
- Ca2+ binds to and activates proteins like calmodulin, protein kinase C (PKC), and synaptotagmin.
- These proteins promote the fusion of insulin-containing vesicles with the plasma membrane, releasing insulin into the bloodstream.

**5. Other Signaling Pathways:**
- In addition to glucose, other factors like amino acids, fatty acids, and incretins (e.g., GLP-1) can stimulate insulin secretion.
- These factors activate various signaling pathways that converge on the insulin secretory machinery, amplifying the response.

**6. Regulation and Feedback Mechanisms:**
- Insulin secretion is tightly regulated to maintain blood glucose homeostasis.
- Negative feedback mechanisms involving insulin itself and other hormones (e.g., glucagon) ensure that insulin release is appropriately modulated.

**7. Factors Affecting Insulin Secretion:**
- Several factors can affect insulin secretion, including:
- Genetic predisposition
- Nutritional status
- Stress levels
- Medications
- Disease conditions (e.g., diabetes)

Overall, positive regulation of insulin secretion is a highly coordinated process that involves multiple cellular components and signaling pathways. Its precise regulation is essential for maintaining glucose homeostasis and preventing metabolic disorders.'
"

Proteins (30)

ProteinDefinitionTaxonomy
cAMP-dependent protein kinase type I-alpha regulatory subunit [Cleaved into: cAMP-dependent protein kinase type I-alpha regulatory subunit, N-terminally processed]A cAMP-dependent protein kinase type I-alpha regulatory subunit that is encoded in the genome of cow. [OMA:P00514, PRO:DNx]Bos taurus (cattle)
Protein kinase C alpha typeA protein kinase C alpha type that is encoded in the genome of human. [PRO:CL, UniProtKB:P17252]Homo sapiens (human)
Free fatty acid receptor 1A free fatty acid receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O14842]Homo sapiens (human)
NAD-dependent protein deacetylase sirtuin-3, mitochondrialAn NAD-dependent protein deacetylase sirtuin-3, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NTG7]Homo sapiens (human)
Transcription factor 7-like 2A transcription factor 7-like 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NQB0]Homo sapiens (human)
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1A 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NQ66]Homo sapiens (human)
G-protein coupled estrogen receptor 1A G-protein coupled estrogen receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q99527]Homo sapiens (human)
Calcium release-activated calcium channel protein 1A calcium release-activated calcium channel protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96D31]Homo sapiens (human)
Bcl2-associated agonist of cell death A Bcl2-associated agonist of cell death that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q92934]Homo sapiens (human)
Rap guanine nucleotide exchange factor 4A Rap guanine nucleotide exchange factor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WZA2]Homo sapiens (human)
NAD-dependent protein deacetylase sirtuin-6An NAD-dependent protein deacylase sirtuin-6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N6T7]Homo sapiens (human)
Nuclear receptor subfamily 0 group B member 2A nuclear receptor subfamily 0 group B member 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15466]Homo sapiens (human)
Inositol 1,4,5-trisphosphate receptor type 1An inositol 1,4,5-trisphosphate receptor type 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14643]Homo sapiens (human)
TAR DNA-binding protein 43A TAR DNA-binding protein 43 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13148]Homo sapiens (human)
Protein kinase C epsilon typeA protein kinase C epsilon that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q02156]Homo sapiens (human)
4-aminobutyrate aminotransferase, mitochondrialA 4-aminobutyrate aminotransferase, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P80404]Homo sapiens (human)
Tyrosine-protein kinase BlkA tyrosine-protein kinase BLK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51451]Homo sapiens (human)
Gastric inhibitory polypeptide receptorA gastric inhibitory polypeptide receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48546]Homo sapiens (human)
Extracellular calcium-sensing receptorAn extracellular calcium-sensing receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41180]Homo sapiens (human)
Hexokinase-4A hexokinase-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35557]Homo sapiens (human)
Guanine nucleotide-binding protein subunit alpha-11A guanine nucleotide-binding protein subunit alpha-11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29992]Homo sapiens (human)
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1An ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P28907]Homo sapiens (human)
Muscarinic acetylcholine receptor M3A muscarinic acetylcholine receptor M3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P20309]Homo sapiens (human)
cAMP-dependent protein kinase catalytic subunit alphaA cAMP-dependent protein kinase catalytic subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17612]Homo sapiens (human)
cAMP-dependent protein kinase type I-alpha regulatory subunitA cAMP-dependent protein kinase type I-alpha regulatory subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10644]Homo sapiens (human)
Protein kinase C beta typeA protein kinase C beta type that is encoded in the genome of human. [PRO:CNA, UniProtKB:P05771]Homo sapiens (human)
Retinol-binding protein 4A retinol-binding protein 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02753]Homo sapiens (human)
ProthrombinA prothrombin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00734]Homo sapiens (human)
Tyrosine-protein kinase JAK2A tyrosine-protein kinase JAK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60674]Homo sapiens (human)
Free fatty acid receptor 2A free fatty acid receptor 2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O15552]Homo sapiens (human)

Compounds (2,762)

CompoundDefinitionClassesRoles
dinitrochlorobenzene1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions.

Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.
C-nitro compound;
monochlorobenzenes
allergen;
epitope;
sensitiser
cysteine sulfinic acidcysteine sulfinic acid: metabolite of sulfur-containing amino acids
gamma-aminobutyric acidgamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.

gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid
human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-hydroxybenzyl alcohol4-hydroxybenzyl alcohol: the aglycone of gastrodin

p-hydroxybenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung.
benzyl alcohols;
phenols
plant metabolite
4-hydroxybenzaldehydehydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
4-hydroxybenzoic acid4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.monohydroxybenzoic acidalgal metabolite;
plant metabolite
acetic acidacetic acid : A simple monocarboxylic acid containing two carbons.

Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed)
monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
adenine6-aminopurines;
purine nucleobase
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
anthranilic acidanthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system.

anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565
aminobenzoic acidhuman metabolite;
mouse metabolite
quinacrinequinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.

Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound
antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
taxifolin3'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone
lipoamideLipozyme: lipase from Rhizomucor miehei immobilized on anion exchange resindithiolanes;
monocarboxylic acid amide
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thioctic acidThioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.dithiolanes;
heterocyclic fatty acid;
thia fatty acid
fundamental metabolite;
geroprotector
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
4-aminobenzoic acid4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group.

4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.

4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.
aminobenzoic acid;
aromatic amino-acid zwitterion
allergen;
Escherichia coli metabolite;
plant metabolite
pentachlorophenolPENTA: structure given in first sourcearomatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes
human xenobiotic metabolite
propionic acidpropionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.saturated fatty acid;
short-chain fatty acid
antifungal drug
pyrazinamidepyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.monocarboxylic acid amide;
N-acylammonia;
pyrazines
antitubercular agent;
prodrug
pyrazinoic acidpyrazine-2-carboxylic acid : The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide.

pyrazinoic acid: active metabolite of pyrazinamide; structure
pyrazinecarboxylic acidantitubercular agent;
drug metabolite
sarcosinecocobetaine: N-alkyl-betaine; cause of shampoo dermatitisN-alkylglycine;
N-alkylglycine zwitterion;
N-methyl-amino acid;
N-methylglycines
Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite
uracil2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorderpyrimidine nucleobase;
pyrimidone
allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
vanillinVanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).benzaldehydes;
monomethoxybenzene;
phenols
anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
catechinhydroxyflavan
2-(6-methoxy-2-naphthalenyl)propanoic acidnaphthalenes
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
1,3-dipropyl-8-(4-sulfophenyl)xanthine1,3-dipropyl-8-(4-sulfophenyl)xanthine: adenosine receptor antagonist
pk 11195PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylaminearomatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes
antineoplastic agent
1-aminobenzotriazole
edelfosine1-octadecyl-2-methylglycero-3-phosphocholine : A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively.

edelfosine : A racemate comprising equimolar amounts of (R)- and (S)-edelfosine.

edelfosine: RN given refers to parent cpd
glycerophosphocholine
2,4,6-tribromophenolbromophenolenvironmental contaminant;
fungicide;
marine metabolite
4-(2,4-dichlorophenoxy)butyric acid2,4-DB : A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide.

4-(2,4-dichlorophenoxy)butyric acid: structure
aromatic ether;
monocarboxylic acid;
organochlorine compound
agrochemical;
phenoxy herbicide;
synthetic auxin
2,4-dinitrophenol2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions.

2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed)

dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.
dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation 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
enprofyllineenprofylline : Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy.oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
3-nitropropionic acid3-nitropropanoic acid : A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.

3-nitropropionic acid: succinate dehydrogenase inactivator; biosynthesized by FABACEAE plants from ASPARAGINE
C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin
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
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
5-fluoroindole-2-carboxylic acid5-fluoroindole-2-carboxylic acid: N-methyl-D-aspartate receptor antagonistindolyl carboxylic acid
phenanthridonephenanthridone : A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity.

phenanthridone: coal tar derivative; structure given in first source
lactam;
phenanthridines
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen
6-chloromelatoninacetamides
acemetacinacemetacin : A carboxylic ester that is the carboxymethyl ester of indometacin. A non-steroidal anti-inflammatory drug, it is used in the treatment of rheumatoid arthritis, osteoarthritis, and low back pain, as well as for postoperative pain and inflammation. Its activity is due to both acemetacin and its major metabolite, indometacin.carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
acridoneacridone : A member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9.acridines;
cyclic ketone
rtki cpdaromatic ether;
monochlorobenzenes;
quinazolines
antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
ambroxolAmbroxol: A metabolite of BROMHEXINE that stimulates mucociliary action and clears the air passages in the respiratory tract. It is usually administered as the hydrochloride.aromatic amine
theophyllinedimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodaroneamiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.

Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound
cardiovascular drug
amitriptylineamitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.

Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.
carbotricyclic compound;
tertiary amine
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amoxapineamoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.

Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression.
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid prop-2-ynyl esterdihydropyridine
arecolinearecoline : A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine.

Arecoline: An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands.
enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine
metabolite;
muscarinic agonist
astemizoleastemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.

Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.
benzimidazoles;
piperidines
anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
atenololatenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.

Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.
ethanolamines;
monocarboxylic acid amide;
propanolamine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
atrazinechloro-1,3,5-triazine;
diamino-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
azelaic acidnonanedioic acid : An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
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
bay-k-86443-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, Methyl ester: A dihydropyridine derivative, which, in contrast to NIFEDIPINE, functions as a calcium channel agonist. The compound facilitates Ca2+ influx through partially activated voltage-dependent Ca2+ channels, thereby causing vasoconstrictor and positive inotropic effects. It is used primarily as a research tool.

Bay-K-8644 : A racemate comprising equimolar amounts of (R)- and (S)-Bay-K-8644

methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate : A pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6.
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
bendroflumethiazidebendroflumethiazide : A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group.

Bendroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810)
benzothiadiazine;
sulfonamide
antihypertensive agent;
diuretic
benzamidinebenzamidine : A carboxamidine that is benzene carrying an amidino group.

benzamidine: RN given refers to parent cpd
benzenes;
carboxamidine
serine protease inhibitor
benzbromaronebenzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.

Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.
1-benzofurans;
aromatic ketone
uricosuric drug
benzocainebenzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.

Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.

dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.
benzoate ester;
substituted aniline
allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
butylbenzyl phthalatespatozoate: structure in first sourcebenzyl ester
bethanecholbethanechol : The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.

Bethanechol: A slowly hydrolyzing muscarinic agonist with no nicotinic effects. Bethanechol is generally used to increase smooth muscle tone, as in the GI tract following abdominal surgery or in urinary retention in the absence of obstruction. It may cause hypotension, HEART RATE changes, and BRONCHIAL SPASM.
carbamate ester;
quaternary ammonium ion
muscarinic agonist
bay h 45021-[biphenyl-4-yl(phenyl)methyl]imidazole : A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1.

bifonazole : A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections.
biphenyls;
imidazoles
biperidenbiperiden : A member of the class of piperidines that is N-propylpiperidine in which the methyl hydrogens have been replaced by hydroxy, phenyl, and 5-norbornen-2-yl groups. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease.

Biperiden: A muscarinic antagonist that has effects in both the central and peripheral nervous systems. It has been used in the treatment of arteriosclerotic, idiopathic, and postencephalitic parkinsonism. It has also been used to alleviate extrapyramidal symptoms induced by phenothiazine derivatives and reserpine.
piperidines;
tertiary alcohol;
tertiary amino compound
antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
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
bisindolylmaleimide ibisindolylmaleimide I: a bis(indolyl)maleimide
bisindolylmaleimide ivindoles;
maleimides
ro 31-8425
broxyquinolinebroxyquinoline: structureorganohalogen compound;
quinolines
ym 58483
bufexamacbufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties.

Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally.
aromatic ether;
hydroxamic acid
antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
butambenbutamben : An amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders.

butamben: structure
amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline
local anaesthetic
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
carbamylcholine
carprofencarprofen : Propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs.

carprofen: RN given refers to cpd without isomeric designation
carbazoles;
organochlorine compound
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
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
chlorpromazinechlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.

Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.
organochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpyrifoschlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.

Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.
chloropyridine;
organic thiophosphate
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
ciglitazoneciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist.

ciglitazone: structure given in second source; PPAR agonist used for type II diabetes
aromatic ether;
thiazolidinone
antineoplastic agent;
insulin-sensitizing drug
aricinecinchona alkaloid
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
clofoctoldiarylmethane
clomipramineclomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.

Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
cloxyquincloxyquin: has antitubercular activity; structure in first sourceorganochlorine compound;
quinolines
coumaphosCoumaphos: A organothiophosphorus cholinesterase inhibitor that is used as an anthelmintic, insecticide, and as a nematocide.organic thiophosphate;
organochlorine compound;
organothiophosphate insecticide
acaricide;
agrochemical;
antinematodal drug;
avicide;
EC 3.1.1.8 (cholinesterase) inhibitor
cyproheptadinecyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.

Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc.
piperidines;
tertiary amine
anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
diazinondiazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.

Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide.
organic thiophosphate;
pyrimidines
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
dibutyl phthalatedibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.

Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.
diester;
phthalate ester
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
dichlorophenDichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.)bridged diphenyl fungicide;
diarylmethane
dicyclominedicyclomine : The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.

Dicyclomine: A muscarinic antagonist used as an antispasmodic and in urinary incontinence. It has little effect on glandular secretion or the cardiovascular system. It does have some local anesthetic properties and is used in gastrointestinal, biliary, and urinary tract spasms.
carboxylic ester;
tertiary amine
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
diphenidoldiphenidol : A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4.

diphenidol: shows anti-arrhythmic activity; RN given refers to unlabeled parent cpd
benzenes;
piperidines;
tertiary alcohol
antiemetic
diphenhydramineantitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.

diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.

Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.
ether;
tertiary amino compound
anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
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
disulfotondisulfoton : An organic thiophosphate that is the diethyl ester of S-[2-(ethylsulfanyl)ethyl] dihydrogen phosphorodithioate.

Disulfoton: An organothiophosphate insecticide.
organic thiophosphate;
organothiophosphate insecticide
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
safingol2-aminooctadecane-1,3-diol : An aminodiol that is octadecane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2.aminodiol;
sphingoid
doxepindoxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.

Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors.
dibenzooxepine;
tertiary amino compound
antidepressant
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
nsc-526417
econazole1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group.

econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.

Econazole: An imidazole derivative that is commonly used as a topical antifungal agent.
dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
efavirenz
enoxacinenoxacin : A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea.

Enoxacin: A broad-spectrum 6-fluoronaphthyridinone antibacterial agent that is structurally related to NALIDIXIC ACID.
1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor
ethenzamideethenzamide: structureorganic molecular entity
ethoxzolamideethoxzolamide : A sulfonamide that is 1,3-benzothiazole-2-sulfonamide which is substituted by an ethoxy group at position 6. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic.

Ethoxzolamide: A carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia.
aromatic ether;
benzothiazoles;
sulfonamide
antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
famprofazonefamprofazone: structure given in first source; ingredient of Gewodin; methamphetamine is a metabolite of this cpdpyrazoles;
ring assembly
4-biphenylylacetic acidbiphenyl-4-ylacetic acid : A monocarboxylic acid in which one of the alpha-hydrogens is substituted by a biphenyl-4-yl group. An active metabolite of fenbufen, it is used as a topical medicine to treat muscle inflammation and arthritis.biphenyls;
monocarboxylic acid
non-steroidal anti-inflammatory drug
felodipinefelodipine : The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.

Felodipine: A dihydropyridine calcium antagonist with positive inotropic effects. It lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels.
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fendilineFendiline: Coronary vasodilator; inhibits calcium function in muscle cells in excitation-contraction coupling; proposed as antiarrhythmic and antianginal agents.diarylmethane
fluconazolefluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.

Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.
conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug
environmental contaminant;
P450 inhibitor;
xenobiotic
flufenamic acidflufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders.

Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16)
aromatic amino acid;
organofluorine compound
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
flumazenilflumazenil : An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose.

Flumazenil: A potent benzodiazepine receptor antagonist. Since it reverses the sedative and other actions of benzodiazepines, it has been suggested as an antidote to benzodiazepine overdoses.
ethyl ester;
imidazobenzodiazepine;
organofluorine compound
antidote to benzodiazepine poisoning;
GABA antagonist
fluoxetinefluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.

Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.
(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
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
gemfibrozilaromatic etherantilipemic drug
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) esterbenzenes
go 6976indolocarbazole;
organic heterohexacyclic compound
EC 2.7.11.13 (protein kinase C) inhibitor
gossypolGossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.
guaiazuleneguaiazulene: structuresesquiterpene
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamideisoquinolines;
sulfonamide
n-(2-aminoethyl)-5-isoquinolinesulfonamide
1-(5-isoquinolinesulfonyl)piperazineisoquinolines
fasudilfasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.

fasudil: intracellular calcium antagonist; structure in first source
isoquinolines;
N-sulfonyldiazepane
antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
haloperidolhaloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.

Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279)
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether: potent inhibitor of protein kinase C; structure given in first sourcetannin
hexachlorophenehexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.

Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797)
bridged diphenyl fungicide;
polyphenol;
trichlorobenzene
acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
hexestrolstilbenoid
beta-thujaplicinbeta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities.

beta-thujaplicin: structure
cyclic ketone;
enol;
monoterpenoid
antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
hydroxychloroquinehydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions.

Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970)
aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
ibudilastpyrazolopyridine
ibuprofenMidol: combination of cinnamedrine, phenacetin, aspirin & caffeinemonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
iodoquinoliodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis.

Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide.
monohydroxyquinoline;
organoiodine compound
antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug
iopanoic acidIopanoic Acid: Radiopaque medium used as diagnostic aid.monocarboxylic acid
ipriflavoneipriflavone : A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women.aromatic ether;
isoflavones
bone density conservation agent
isoconazole1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1.

isoconazole : A racemate comprising equimolar amounts of (R)- and (S)-isoconazole. A broad-spectrum antibacterial drug used (as its nitrate salt) for treatment of dermatomycoses.
dichlorobenzene;
ether;
imidazoles
itraconazolepiperazines
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazolineWHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
whi p154WHI P154: an anti-leukemic agent; structure in first source
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanoneZM39923: structure in first sourcenaphthalenes
staurosporine aglyconestaurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor
ketotifenketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.

Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis.
cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound
anti-asthmatic drug;
H1-receptor antagonist
celanide
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
lauric aciddodecanoic acid : A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.medium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antibacterial agent;
plant metabolite
ly 171883LY 171883: structure in first source; leukotriene receptor antagonist

tomelukast : A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity.
acetophenones;
aromatic ether;
phenols;
tetrazoles
anti-asthmatic drug;
leukotriene antagonist
maprotilineMaprotiline: A bridged-ring tetracyclic antidepressant that is both mechanistically and functionally similar to the tricyclic antidepressants, including side effects associated with its use.anthracenes
meclofenamate sodium anhydrousorganic sodium salt
vitamin k 3Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo.1,4-naphthoquinones;
vitamin K
angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
methocarbamol2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate : A carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester.

methocarbamol : A racemate comprising equimolar amounts of (R)- and (S)-methocarbamol. A centrally acting skeletal muscle relaxant, it is used as an adjunct in the short-term symptomatic treatment of painful muscle spasm. The (R)-enantiomer is more active than the (S)-enantiomer.

Methocarbamol: A centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206)
aromatic ether;
carbamate ester;
secondary alcohol
methoctraminearomatic ether;
tetramine
muscarinic antagonist
doxorubicin hydrochloridefolic acids
methoxsalenmethoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.

Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.
aromatic ether;
psoralens
antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
methoxychlorMethoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects.organochlorine insecticide
n-methylcarbamylcholineN-methylcarbamylcholine: structure given in first source
5-methylfurtrethonium5-methylfurtrethonium: RN given refers to parent cpd; structurearalkylamine
Meticranethiochromane
metronidazolemetronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.

Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.
C-nitro compound;
imidazoles;
primary alcohol
antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
mianserinmianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere.

Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors.
dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.

miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.

Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.
dichlorobenzene;
ether;
imidazoles
minaprineminaprine: Agr 1240 refers to di-HCl; short-acting type A MAO inhibitor (MAOI) of mild potency; structuremorpholines;
pyridazines;
secondary amine
antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake inhibitor
minoxidilminoxidil : A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6.

Minoxidil: A potent direct-acting peripheral vasodilator (VASODILATOR AGENTS) that reduces peripheral resistance and produces a fall in BLOOD PRESSURE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371)
dialkylarylamine;
tertiary amino compound
mirtazapineMirtazapine: A piperazinoazepine tetracyclic compound that enhances the release of NOREPINEPHRINE and SEROTONIN through blockage of presynaptic ALPHA-2 ADRENERGIC RECEPTORS. It also blocks both 5-HT2 and 5-HT3 serotonin receptors and is a potent HISTAMINE H1 RECEPTOR antagonist. It is used for the treatment of depression, and may also be useful for the treatment of anxiety disorders.benzazepine;
tetracyclic antidepressant
alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
mitotaneMitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression.diarylmethane
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
fidexabanFidexaban: structure in first source
fg 7142FG 7142: benzodiazepine receptor agonistbeta-carbolines
fenamic acidfenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs.

fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd
aminobenzoic acid;
secondary amino compound
membrane transport modulator
n(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidideN(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide: thrombin inhibitor; RN given refers to parent cpd without isomeric designation
nabumetonenabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs.

Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS.
methoxynaphthalene;
methyl ketone
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nafamostatnafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplasticbenzoic acids;
guanidines
niclosamideniclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.

Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48)
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide
anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nifedipineNifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.C-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nimodipinenimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.

Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nisoldipinemethyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris.

nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris.

Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina.
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitrendipinenitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension.

Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive.
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
masoprocolnordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata)catechols;
lignan;
tetrol
antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
nortriptylinenortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.

Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions.
organic tricyclic compound;
secondary amine
adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ns 1619NS 1619 : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).

NS 1619: structure given in first source
(trifluoromethyl)benzenes;
benzimidazoles;
phenols
potassium channel opener
olomoucineolomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor.

olomoucine: inhibits protein P34CDC2
2,6-diaminopurines;
ethanolamines
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
orphenadrineorphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol.

Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm.
ether;
tertiary amino compound
antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxotremorineOxotremorine: A non-hydrolyzed muscarinic agonist used as a research tool.N-alkylpyrrolidine
oxybenzoneoxybenzone : A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively.hydroxybenzophenone;
monomethoxybenzene
dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
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
oxyphenbutazoneoxyphenbutazone : A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.

Oxyphenbutazone: A non-steroidal anti-inflammatory drug. Oxyphenbutazone eyedrops have been used abroad in the management of postoperative ocular inflammation, superficial eye injuries, and episcleritis. (From AMA, Drug Evaluations Annual, 1994, p2000) It had been used by mouth in rheumatic disorders such as ankylosing spondylitis, osteoarthritis, and rheumatoid arthritis but such use is no longer considered justified owing to the risk of severe hematological adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p27)
phenols;
pyrazolidines
antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
quinone1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.

benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.

quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
parthenolidegermacranolide
pd 1530354-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source

PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.
aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
pd168393PD 168393 : A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively.acrylamides;
bromobenzenes;
quinazolines;
secondary carboxamide;
substituted aniline
epidermal growth factor receptor antagonist
perhexilinePerhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.piperidinescardiovascular drug
perphenazineperphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.

Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenazineazaarene;
heteranthrene;
mancude organic heterotricyclic parent;
phenazines;
polycyclic heteroarene
phenolphthaleinPhenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.phenols
phenylbutazonephenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.

Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
moxonidinemoxonidine: structure given in first sourceorganohalogen compound;
pyrimidines
pinacidilPinacidil: A guanidine that opens POTASSIUM CHANNELS producing direct peripheral vasodilatation of the ARTERIOLES. It reduces BLOOD PRESSURE and peripheral resistance and produces fluid retention. (Martindale The Extra Pharmacopoeia, 31st ed)pyridines
pioglitazonepioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.

Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.
aromatic ether;
pyridines;
thiazolidinediones
antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
pirenzepinePirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients.pyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
pomiferinpomiferin: structure in first sourceisoflavanones
1-NA-PP1pyrazolopyrimidinetyrosine kinase inhibitor
ag 18793-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitoraromatic amine;
monochlorobenzenes;
pyrazolopyrimidine
beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
ppm 18naphthoquinone
primidoneprimidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures.

Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite.
pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
prochlorperazineprochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.

Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612)
N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines
alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
promazinepromazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.

Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.
phenothiazines;
tertiary amine
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazinepromethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.

Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.
phenothiazines;
tertiary amine
anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propanilpropanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat.

Propanil: A chlorinated anilide that is used as an herbicide.
anilide;
dichlorobenzene
herbicide
propranololpropranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.

Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.
naphthalenes;
propanolamine;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
pyridostigminepyridinium ion
quetiapinedibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
pf 5901alpha-pentyl-3-(2-quinolinylmethoxy)benzenemethanol: structure given in first source; platelet activating factor antagonistquinolines
riluzoleRiluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.benzothiazoles
risperidonerisperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.

Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA.
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
ritanserinritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action.

Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure.
organofluorine compound;
piperidines;
thiazolopyrimidine
antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
ro 31-8220Ro 31-8220: a protein kinase C inhibitorimidothiocarbamic ester;
indoles;
maleimides
EC 2.7.11.13 (protein kinase C) inhibitor
roxarsoneroxarsone : An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl.

Roxarsone: An arsenic derivative which has anticoccidial action and promotes growth in animals.
2-nitrophenols;
organoarsonic acid
agrochemical;
animal growth promotant;
antibacterial drug;
coccidiostat
sanguinarinebenzophenanthridine alkaloid : A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family.alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent
sb 239063SB 239063: structure in first source

SB-239063 : A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively.
imidazoles
sb 2021904-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinaseimidazoles;
organofluorine compound;
phenols;
pyridines
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
spiperonespiperone : An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively.

Spiperone: A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA.
aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound
alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
sq 225369-(tetrahydrofuryl)adenine : A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor.nucleoside analogue;
oxolanes
EC 4.6.1.1 (adenylate cyclase) inhibitor
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
streptonigrinpyridines;
quinolone
antimicrobial agent;
antineoplastic agent
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
sulconazole1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group.

sulconazole : A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections.

sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source
dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide
sulfacetamidesulfacetamide : A sulfonamide that is sulfanilamide acylated on the sulfonamide nitrogen.

Sulfacetamide: An anti-bacterial agent that is used topically to treat skin infections and orally for urinary tract infections.
N-sulfonylcarboxamide;
substituted aniline
antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
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
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
suraminsuramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years.

Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.
naphthalenesulfonic acid;
phenylureas;
secondary carboxamide
angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
suxibuzonesuxibuzone : A pyrazolidine that is phenylbutazone which is substituted by a 3-carboxypropanoylmethyl group at the 4-position. Suxibuzone is a prodrug for phenylbutazone and is commonly used as an anti-inflammatory drug in horses.hemisuccinate;
monocarboxylic acid;
pyrazolidines
antirheumatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
prodrug
thioridazinethioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.

Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.
phenothiazines;
piperidines
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
thiramthiram : An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment.

Thiram: A dithiocarbamate chemical, used commercially in the rubber processing industry and as a fungicide. In vivo studies indicate that it inactivates the enzyme GLUTATHIONE REDUCTASE. It has mutagenic activity and may induce chromosomal aberrations.
organic disulfideantibacterial drug;
antifungal agrochemical;
antiseptic drug
tinidazoletinidazole : 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group. It is used as an antiprotozoal, antibacterial agent.

Tinidazole: A nitroimidazole alkylating agent that is used as an antitrichomonal agent against TRICHOMONAS VAGINALIS; ENTAMOEBA HISTOLYTICA; and GIARDIA LAMBLIA infections. It also acts as an antibacterial agent for the treatment of BACTERIAL VAGINOSIS and anaerobic bacterial infections.
imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
trichlormethiazidetrichlormethiazide : A benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension.

Trichlormethiazide: A thiazide diuretic with properties similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830)
benzothiadiazine;
sulfonamide antibiotic
antihypertensive agent;
diuretic
triclosanaromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols
antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
trihexyphenidylTrihexyphenidyl: One of the centrally acting MUSCARINIC ANTAGONISTS used for treatment of PARKINSONIAN DISORDERS and drug-induced extrapyramidal movement disorders and as an antispasmodic.amine
tropicamideTropicamide: One of the MUSCARINIC ANTAGONISTS with pharmacologic action similar to ATROPINE and used mainly as an ophthalmic parasympatholytic or mydriatic.acetamides
tyrphostin a9alkylbenzenegeroprotector
vesamicolvesamicol: RN given refers to parent cpd; structurepiperidines
vigabatringamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
hydrocortisone acetatehydrocortisone acetate: RN given refers to cpd without isomeric designationcortisol ester;
tertiary alpha-hydroxy ketone
procaine hydrochlorideGerovital H3: Contains mainly procaine & small amounts of benzoic acid, potassium metabisulfite & disodium phosphateorganic molecular entity
carbacholCarbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.ammonium salt;
carbamate ester
cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
estroneHydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols
antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
androsterone17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid
androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone
dehydroepiandrosteronedehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.

Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid
androgen;
human metabolite;
mouse metabolite
idoxuridineorganoiodine compound;
pyrimidine 2'-deoxyribonucleoside
antiviral drug;
DNA synthesis inhibitor
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
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride: A drug that selectively activates certain subclasses of muscarinic receptors and also activates postganglionic nicotinic receptors. It is commonly used experimentally to distinguish muscarinic receptor subtypes.
ethinyl estradiol17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.

Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound
xenoestrogen
testosterone propionateandrogen : A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.

Testosterone Propionate: An ester of TESTOSTERONE with a propionate substitution at the 17-beta position.
steroid ester
methyltestosteronemethyltestosterone : A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position.

Methyltestosterone: A synthetic hormone used for androgen replacement therapy and as an hormonal antineoplastic agent (ANTINEOPLASTIC AGENTS, HORMONAL).
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone
anabolic agent;
androgen;
antineoplastic agent
promethazine hydrochloridehydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
acetylcholine chlorideacetylcholine chloride : The chloride salt of acetylcholine, and a parasympatomimetic drug.quaternary ammonium salt
mepazinemepazine: major descriptor (66-85); on-line search PHENOTHIAZINES (66-85); Index Medicus search MEPAZINE (66-85); RN given refers to parent cpd

pacatal : A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position.
phenothiazines
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
zoxazolamineZoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood.benzoxazole
berlition(R)-lipoic acid : The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties.

berlition: antioxidant preparation containing alpha-lipoic acid, used in the neuroprotective therapy of chronic brain ischemia for correction of free-radical processes

lipoic acid : A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.
dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid
cofactor;
nutraceutical;
prosthetic group
androstenedioneandrost-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.

Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid
androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
desoxycorticosteroneDesoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
cycloheximidecycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.

Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol
anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
thiamine hydrochloridethiamine hydrochloride : A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid.hydrochloride;
vitamin B1
insect repellent
17-alpha-hydroxyprogesterone17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone.17alpha-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
tertiary alpha-hydroxy ketone
human metabolite;
metabolite;
mouse metabolite;
progestin
chlorpromazine hydrochloridehydrochloride;
phenothiazines
anticoronaviral agent;
phenothiazine antipsychotic drug
mannitolmannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
phenacyl bromidephenacyl bromide : An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2.

phenacyl bromide: structure
acetophenones;
alpha-bromoketone
metabolite
4-hydroxypropiophenoneacetophenones
alizarindihydroxyanthraquinonechromophore;
dye;
plant metabolite
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
triamcinolone acetonidetriamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections.

Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions.
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
mepenzolate bromidediarylmethane
tetrabromobisphenol a3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.

tetrabromobisphenol A: a brominated flame retardant
brominated flame retardant;
bromobisphenol
purpurinpurpurin : A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4.

purpurin: from Rubiaceae plants; structure in first source
trihydroxyanthraquinonebiological pigment;
histological dye;
plant metabolite
1-amino-2-methylanthraquinoneanthraquinone
visnaginvisnagin : A furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga.

visnagin: from Musineon divaricatum
aromatic ether;
furanochromone;
polyketide
anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent
cyclizinecyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group.

Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935)
N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
quinophthalonequinoline yellow : A quinoline derivative with a 1,3-dioxoindan-2-yl substituent at C-2.

quinophthalone: found in hair preparations; causes contact dermatitis
aromatic ketone;
beta-diketone;
quinolines
dye
9,10-phenanthrenequinone9,10-phenanthrenequinone: structurephenanthrenes
diphenyl phthalatediphenyl phthalate : The diphenyl ester of benzene-1,2-dicarboxylic acid.diester;
phthalate ester
diethyl phthalatediethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid.

diethyl phthalate: structure
diester;
ethyl ester;
phthalate ester
neurotoxin;
plasticiser;
teratogenic agent
diisobutyl phthalatediisobutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol.diester;
phthalate ester
plasticiser;
PPAR modulator;
teratogenic agent
1-phenylazo-2-naphthylamine
n,n'-diethylcarbanilide
acriflavine chloride3,6-diamino-10-methylacridinium chloride : The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine.organic chloride saltantibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator
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
1-naphthylphenylamineN-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structurenaphthalenes
benzohydroldiphenylmethanol : A secondary alcohol that is diphenylmethane which carries a hydroxy group at position 1.benzyl alcohols;
secondary alcohol
bacterial xenobiotic metabolite;
human urinary metabolite;
human xenobiotic metabolite;
rat metabolite
6-phenyl-1,3,5-triazine-2,4-diamine6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source
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
phenidonephenidone: photographic developer; RN given refers to parent cpd; structure
6-methylcoumarin6-methylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group.

6-methylcoumarin: synthetic fragrance causing contact photoallergy
coumarinsallergen;
fragrance
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
2-methyl-4-chlorophenoxyacetic acid(4-chloro-2-methylphenoxy)acetic acid : A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2.

2-Methyl-4-chlorophenoxyacetic Acid: A powerful herbicide used as a selective weed killer.
chlorophenoxyacetic acid;
monochlorobenzenes
environmental contaminant;
phenoxy herbicide;
synthetic auxin
2,4-d n-butyl ester
benzothiazolebenzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.

benzothiazole: structure
benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
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
o-aminoazotolueneo-Aminoazotoluene: An azo dye with carcinogenic properties.
p-tert-butyl catechol
3-aminobenzoic acid3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3.

3-aminobenzoic acid: RN given refers to parent cpd
aminobenzoic acid
dicloran2,6-dichloro-4-nitroaniline : A nitroaniline that is 4-nitroaniline in which the hydrogens at positions 2 and 6 are replaced by chlorines. An agricultural fungicide, it is not approved for use in the European Union.aromatic fungicide;
dichlorobenzene;
nitroaniline
antifungal agrochemical
4-bromophenacyl bromide4-bromophenacyl bromide: phospholipidase A(2) inhibitor; structure
4-hydroxyacetophenone4-hydroxyacetophenone: promotes secretion of bile & bile salts, which promotes griseofulvin absorption in the duodenum

4'-hydroxyacetophenone : A monohydroxyacetophenone carrying a hydroxy substituent at position 4'.
monohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite
methylenebis(chloroaniline)4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge.

Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms.
chloroanilinemetabolite
3-hydroxydiphenylaminesubstituted aniline
pelargonic acidnonanoic acid : A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers.

pelargonic acid: K salt acts as cariostatic agent; RN given refers to parent cpd; structure
medium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antifeedant;
Daphnia magna metabolite;
plant metabolite
2-methylbutanoic acid2-methylbutanoic acid: RN given refers to parent cpd without isomeric designation

2-methylbutyric acid : A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria.
methylbutyric acidbacterial metabolite;
human metabolite
benzoinbenzoins;
secondary alpha-hydroxy ketone
EC 3.1.1.1 (carboxylesterase) inhibitor
clorophene
3-tert-butyl-4-hydroxyanisole3-tert-butyl-4-hydroxyanisole : An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group.aromatic ether;
phenols
antioxidant;
human xenobiotic metabolite
benzethonium chloridebenzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses.aromatic ether;
chloride salt;
quaternary ammonium salt
antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant
isophthalateisophthalic acid : A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids.benzenedicarboxylic acid
sulfan bluesulfan blue: widely used to visualize lymph vessels for lymphography; structureorganic molecular entity
pyrazolanthroneanthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase.

pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source
anthrapyrazole;
aromatic ketone;
cyclic ketone
antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
piperidolate hydrochloridediarylmethane
di-n-propylphthalatedi-n-propylphthalate: RN & Structure given in first source

dipropyl phthalate : A phthalate ester that is the dipropyl ester of benzene-1,2-dicarboxylic acid.
diester;
phthalate ester
diallyl phthalate
dioxybenzonedioxybenzone: structurebenzophenones
2,4-dihydroxybenzophenone2,4-dihydroxybenzophenone: structure in first sourcebenzophenones
2-Phenylethyl 2-aminobenzoatebenzoate ester
neozoneN-phenyl-2-naphthalenamine: structure in first sourcenaphthalenes
4'-(chloroacetyl)acetanilide4'-(chloroacetyl)acetanilide : An alpha-chloroketone that is acetanilide in the para- position is substituted by a chloroacetyl group.acetamides;
alpha-chloroketone;
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
20-alpha-dihydroprogesterone20-alpha-Dihydroprogesterone: A biologically active 20-alpha-reduced metabolite of PROGESTERONE. It is converted from progesterone to 20-alpha-hydroxypregn-4-en-3-one by the 20-ALPHA-HYDROXYSTEROID DEHYDROGENASE in the CORPUS LUTEUM and the PLACENTA.20-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite
diphenhydramine hydrochlorideAntitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.

diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine.
hydrochloride;
organoammonium salt
anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
1,4-dimethoxybenzene1,4-dimethoxybenzene: structure given in first sourcedimethoxybenzene
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
benzo(e)pyrenebenzo(e)pyrene: RN given refers to parent cpd

benzo[e]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC.
ortho- and peri-fused polycyclic arenecarcinogenic agent;
mutagen
benz(c)acridineorganonitrogen heterocyclic compound;
polycyclic heteroarene
indopanalpha-methyltryptamine : A tryptamine derivative having a methyl substituent at the alpha-position.

indopan: RN given refers to parent cpd without isomeric designation
tryptamines
3-phenylsalicylic acid3-phenylsalicylic acid: structure given in first source
2,3-dimercaptosuccinic acid
aminoimidazole carboxamide5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4.

Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.
aminoimidazole;
monocarboxylic acid amide
mouse metabolite
fluorometholonefluorometholone : A member of the class of glucocorticoids that is Delta(1)-progesterone substituted at positions 11beta and 17 by hydroxy groups, at position 6alpha by a methyl group and at position 9 by a fluoro group. Used for the treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe.

Fluorometholone: A glucocorticoid employed, usually as eye drops, in the treatment of allergic and inflammatory conditions of the eye. It has also been used topically in the treatment of various skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732)
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone
anti-inflammatory drug
2-aminopurine2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position.

2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine).

aminopurine : Any purine having at least one amino substituent.
2-aminopurines;
nucleobase analogue
antimetabolite
chenodeoxycholic acidchenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3.

chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.

Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
imperatorinimperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor.

imperatorin: tumor necrosis factor antagonist; furanocoumarin from West African medicinal plant Clausena anisata; structure in Negwer, 5th ed, #3005
psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
kokusagininekokusaginine: antimalarial alkaloid from Teclea afzelii; structure in first sourceorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
ostholosthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first sourcebotanical anti-fungal agent;
coumarins
metabolite
flavanoneflavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4.

flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source
flavanones
3,4-toluenediamine3,4-toluenediamine: structure
16-hydroxypalmitic acid16-hydroxyhexadecanoic acid : An omega-hydroxy-long-chain fatty acid that is hexadecanoic acid (also known as palmitic acid) which is substituted at position 16 by a hydroxy group. It is a key monomer of cutin in the plant cuticle.hydroxypalmitic acid;
omega-hydroxy-long-chain fatty acid
plant metabolite
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite
isoquinoline-1,3,4-trioneisoquinoline-1,3,4-trione: structure in first source
dimenhydrinategravinol: has antioxidant and ant-inflammatory activities; structure in first sourcediarylmethane
dibromsalicildibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic
o-tolunitrileo-tolunitrile: structure in first source
dazometdazomet : A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide.

dazomet: fumigant for poultry litter & eggs to control salmonella; structure
dithiocarbamic ester;
thiadiazinane
antibacterial agent;
antifungal agrochemical;
herbicide;
nematicide
evernic acidevernic acid: RN given refers to parent cpdcarbonyl compound
nitrophenidenitrophenide: Structure in first source
diphenylcarbazonediphenylcarbazone: sensitive reagent for Hg, for which it gives blue color; structure
myristic acidMyristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed)

tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.

tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.
long-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite
gentian violetcrystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.

Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.
organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
3-nitrophenol3-nitrophenols
formestane17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
chlorotrianiseneChlorotrianisene: A powerful synthetic, non-steroidal estrogen.chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen
betaine hydrochloride
glycopyrrolateGlycopyrrolate: A muscarinic antagonist used as an antispasmodic, in some disorders of the gastrointestinal tract, and to reduce salivation with some anesthetics.

glycopyrronium bromide : A quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and bromide ions in a 1:1 ratio.
organic bromide salt;
quaternary ammonium salt
9-nitroanthracene9-nitroanthracene: RN given refers to cpd with locant for nitro moiety in 5 positionanthracenes
pentabromophenol
3,4,5-trichlorophenol
2-anthramine2-anthramine: structureanthracenamine
dibrompropamidinearomatic ether
dicarbethoxydihydrocollidine3,5-diethoxycarbonyl-1,4-dihydrocollidine : A dihydropyridine that is 2,4,6-trimethyl-1,4-dihydropyridine substituted by ethoxycarbonyl groups at positions 3 and 5.

Dicarbethoxydihydrocollidine: 1,4-Dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylic acid diethyl ester.
dihydropyridine;
ethyl ester
hepatic steatosis inducing agent
clopamideClopamide: A sulfamoylbenzamide piperidine. It is considered a thiazide-like diuretic.sulfonamide
2-amino-5-chlorobenzophenone2-amino-5-chlorbenzophenone: structure given in first source
n-hydroxy-4-acetylaminostilbeneN-hydroxy-4-acetylaminostilbene: structure
terbutryneterbutryn : A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively.diamino-1,3,5-triazine;
methylthio-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
2-phenylindolealpha-phenylindole: RN given refers to parent cpdphenylindole
estradiol valeratesteroid ester
metformin hydrochloridemetformin hydrochloride : A hydrochloride resulting from the reaction of metformin with one molar equivalent of hydrogen chloride.hydrochlorideenvironmental contaminant;
hypoglycemic agent;
xenobiotic
2,2'-diaminodiphenyldisulfide2,2'-diaminodiphenyldisulfide: resin hardener
2-amino-7-nitrofluorene2-amino-7-nitrofluorene: structure in first source
dehydroepiandrosterone acetate3beta-acetoxyandrost-5-en-17-one: structure in first sourcesteroid ester
pregnenolone carbonitrilePregnenolone Carbonitrile: A catatoxic steroid and microsomal enzyme inducer having significant effects on the induction of cytochrome P450. It has also demonstrated the potential for protective capability against acetaminophen-induced liver damage.aliphatic nitrile
rimantadine hydrochlorideorganic molecular entity
digoxigenindigoxigenin : A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis.

Digoxigenin: 3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.
12beta-hydroxy steroid;
14beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-sterol
hapten;
plant metabolite
4-hydroxyazobenzene4-hydroxyazobenzene: structure in first source
azacyclonolazacyclonol: major descriptor (65-84); on-line search PIPERIDINES (65-84); Index Medicus search AZACYCLONOL (65-84); RN given refers to parent cpddiarylmethane
4-octylphenol4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.

4-octylphenol: xenoestrogen
phenolsmetabolite;
surfactant;
xenoestrogen
2-bromo-4,6-dinitroaniline2-bromo-4,6-dinitroaniline: used in synthesis of commercially significant monoazo dyes
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
5,6-chrysenequinone5,6-chrysenequinone: structure in first source
pimozidepimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group.

Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403)
benzimidazoles;
heteroarylpiperidine;
organofluorine compound
antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
7-hydroxychlorpromazine7-hydroxychlorpromazine: RN given refers to parent cpdphenothiazines
fluorenone oxime
2,4-diacetylphloroglucinol2,4-diacetylphloroglucinol : A benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups.

2,4-diacetylphloroglucinol: produced by Pseudomonas aurantiaca
aromatic ketone;
benzenetriol;
diketone;
methyl ketone
antifungal agent;
bacterial metabolite
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
carvone, (s)-isomer(+)-carvone : A carvone having (S) configuration.carvone
muscarine
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
ethyl violetethyl violet : An organic chloride salt that is the monochloride salt of ethyl violet cation. Used for inclusion in mixed dye solutions of the iron resorcin fuchsin type for demonstrating elastic fibres.

ethyl violet: RN given refers to parent cpd
organic chloride saltfluorochrome;
histological dye
n-acetylimidazoleN-acylimidazole
4-(octyloxy)benzoic acidbenzoic acids
diphenylborinic aciddiphenylborinic acid: structure given in first source
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
3-aminofluoranthene3-aminofluoranthene: structure given in first source
2-amino-2',5-dichlorobenzophenone2-amino-2',5-dichlorobenzophenone: structure given in first source
1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane: a flame retardant and androgen receptor agonist; structure in first source
n-(4-dimethylamino-3,5-dinitrophenyl)maleimide
2-(alpha-thenoylamino)-2-nitro-5-thiazole1,3-thiazoles;
C-nitro compound
nitroxolinenitroxoline : A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5.

nitroxoline: structure in Merck Index, 9th ed, #6475; RN given refers to parent cpd
C-nitro compound;
monohydroxyquinoline
antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent
dideoxyadenosineDideoxyadenosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is an inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal side effect is nephrotoxicity. In vivo, dideoxyadenosine is rapidly metabolized to DIDANOSINE (ddI) by enzymatic deamination; ddI is then converted to dideoxyinosine monophosphate and ultimately to dideoxyadenosine triphosphate, the putative active metabolite.adenosines;
purine 2',3'-dideoxyribonucleoside
EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor
cladribineorganochlorine compound;
purine 2'-deoxyribonucleoside
antineoplastic agent;
immunosuppressive agent
beclomethasone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-asthmatic drug;
anti-inflammatory drug
trimetazidineTrimetazidine: A vasodilator used in angina of effort or ischemic heart disease.aromatic amine
aseanostatin p512-methyltetradecanoic acid : A branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent.

aseanostatin P5: from actinomycetes; inhibits myeloperoxidase release from human polymorphonuclear leukocytes; structure given in first source; RN given refers to cpd without isomeric designation
branched-chain saturated fatty acid;
long-chain fatty acid
benzetimidepiperidines
dimethindeneDimethindene: A histamine H1 antagonist. It is used in hypersensitivity reactions, in rhinitis, for pruritus, and in some common cold remedies.indene
LSM-22634alkaloid
cyclophosphamidecyclophosphamide hydrate : The monohydrate of cyclophosphamide.hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent
nsc 520594
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazineflavin
quinuclidinyl benzilate
2-hydroxy-7-nitrofluorene2-hydroxy-7-nitrofluorene: structure in first source
psoromic acidpsoromic acid: structure in first sourcecarbonyl compound
6-nitroindazole
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
2-bromo-N-phenylbenzamidebenzamides
clemastineclemastine : 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.

Clemastine: A histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness.
monochlorobenzenes;
N-alkylpyrrolidine
anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
1-(2,6-dichlorophenyl)indolin-2-one1-(2,6-dichlorophenyl)indolin-2-one: structure in first source
iocetamic acidiocetamic acid: was MH 1975-92 (see under IODOBENZENES 1975-90); use IODOBENZENES to search IOCETAMIC ACID 1975-92aromatic amide
tetradecanoylphorbol acetatephorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.

phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.

Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester
antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
danazolDanazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders.17beta-hydroxy steroid;
terminal acetylenic compound
anti-estrogen;
estrogen antagonist;
geroprotector
metergolinemetergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7.

Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy.
carbamate ester;
ergoline alkaloid
dopamine agonist;
geroprotector;
serotonergic antagonist
n-(cyclohexylthio)phthalimideN-(cyclohexylthio)phthalimide: water pollutant
fenamiphosorganophosphate insecticide;
organophosphate nematicide;
phosphoramidate ester
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
4-anisaldehyde4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696

p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.
benzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
cetyldimethylethylammonium bromide
ursodeoxycholic acidursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.

Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
rafoxanideRafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations.
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
dexchlorpheniraminedexchlorpheniramine: RN given refers to parent cpd(S)-isomerchlorphenamine
frentizolefrentizole: RN given refers to parent cpd
N-fluorenylacetamidefluorenes
zidovudinezidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.

Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.
azide;
pyrimidine 2',3'-dideoxyribonucleoside
antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
pbde 992,4-dibromophenyl 2,4,5-tribromophenyl ether : A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.polybromodiphenyl ether
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
propafenone hydrochloridepropafenone hydrochloride : A hydrochloride that is the monohydrochloride salt of propafenone. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used in the management of supraventricular and ventricular arrhythmias.hydrochlorideanti-arrhythmia drug
2,4,5,2',4',5'-hexachlorobiphenylhexachlorobiphenyl
enilconazole1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group.

enilconazole : A racemate comprising equimolar amounts of (R)- and (S)-enilconazole. A fungicide used to control a wide range of fungi including Tilletia and Helminthosporium spp. on fruit, vegetables and ornamentals. In veterinary medicine, it is used topically for the treatment of fungal skin infections in cattle, dogs, and horses; it is also used by inhalation for the treatment of aspergillosis in ostriches.

enilconazole: RN given refers to parent cpd
dichlorobenzene;
ether;
imidazoles
wr 171,699
butaclamolamino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound
dopaminergic antagonist
k 308K 308: structure
phorbol 12,13-dibutyratePhorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems.butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone
isovelleralisovelleral: structure given in first sourcealdehyde
10-carboxymethyl-9-acridanone10-carboxymethyl-9-acridanone: RN given refers to parent cpdacridines
pentafluorobenzoyl-n-phenylethylamine
ciclopirox olamineciclopirox olamine : The ethanolamine salt of ciclopirox. A broad spectrum antigfungal agent, it also exhibits antibacterial activity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections.
flunixin meglumineflunixin meglumine : An organoammonium salt obtained by combining flunixin with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine for treatment of horses, cattle and pigs.organoammonium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2-Acetyl-7-methoxybenzofuranbenzofurans
triadimefon1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one : A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group.aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles
lonidaminelonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.

lonidamine: structure
dichlorobenzene;
indazoles;
monocarboxylic acid
antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
dexibuprofendexibuprofen: structure in first sourceibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug
Nanaomycinbenzoisochromanequinone
triadimenoltriadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts.aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
torsemidetorasemide : An N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. It is a potent loop diuretic used for the treatment of hypertension and edema in patients with congestive heart failure.

Torsemide: A pyridine and sulfonamide derivative that acts as a sodium-potassium chloride symporter inhibitor (loop diuretic). It is used for the treatment of EDEMA associated with CONGESTIVE HEART FAILURE; CHRONIC RENAL INSUFFICIENCY; and LIVER DISEASES. It is also used for the management of HYPERTENSION.
aminopyridine;
N-sulfonylurea;
secondary amino compound
antihypertensive agent;
loop diuretic
closantelclosantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections.

closantel: structure

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively.
aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols
s-2678XI-006: diminishes MDM4 promoter activity; structure in first source
Flampropbenzamides
clorsulonclorsulon: potent fasciolicide; structurebenzenes;
sulfonamide
propiconazoleOrbit: Bony cavity that holds the eyeball and its associated tissues and appendages.conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
paroxetineparoxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo.

Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines
antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
triciribine phosphate
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
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
butoconazole nitratebutoconazole nitrate : An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.aryl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt
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
triclabendazolearomatic ether
cefotetancefotetan : A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms.

Cefotetan: A semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms.
lovastatinlovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).

Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
chaetochrominchaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A
levocabastine hydrochloride
castanosperminecastanospermine : A tetrahydroxyindolizidine alkaloid that consists of octahydroindolizine having four hydroxy substituents located at positions 1, 6, 7 and 8 (the 1S,6S,7R,8R,8aR-diastereomer).

castanospermine: indolizidine alkaloid from seeds of Australian legume, Castanospermum australe
indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite
simvastatinsimvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.

Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
bambuterol hydrochloridebambuterol hydrochloride : The hydrochloride salt of bambuterol. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline.carbamate ester;
hydrochloride;
phenylethanolamines
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent
raloxifene hydrochlorideraloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.

Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.
hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
n-methyl-n-(1-methyl-4-pyrrolidino-2-butynyl)acetamideN-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide: RN given refers to parent cpd without isomeric designationN-alkylpyrrolidine
quinpirole hydrochloride
thiophenoxyacetic acidthiophenoxyacetic acid: structure
sertindolesertindole : A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group.heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole
alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
clopidogrelclopidogrel : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks.

Clopidogrel: A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION.
methyl ester;
monochlorobenzenes;
thienopyridine
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
mibefradilMibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.tetralinsT-type calcium channel blocker
topotecan hydrochloride
aripiprazolearipiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.

Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
xanomelinexanomeline: a cholinergic agonist; used in the treatment of Alzheimer's disease; structure given in first sourcetetrahydropyridine;
thiadiazoles
muscarinic agonist;
serotonergic agonist
ziprasidoneziprasidone : A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms.

ziprasidone: a benzisothiazoylpiperazine derivative; has combined dopamine and serotonin receptor antagonist activity; structurally related to tiospirone
1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines
antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
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
Eugenyl benzoatecarbonyl compound
daunorubicin hydrochlorideanthracycline
paroxetine hydrochlorideparoxetine hydrochloride : The hydrochloride salt of paroxetine. It is an antidepressant drug.hydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
nelfinavirnelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.

Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound
antineoplastic agent;
HIV protease inhibitor
ursolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
geroprotector;
plant metabolite
norharmanbeta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.

norharman: RN given refers to parent cpd
beta-carbolines;
mancude organic heterotricyclic parent
fungal metabolite;
marine metabolite
betulinic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
platanic acidplatanic acid : A pentacyclic triterpenoid that is 30-norlupan-28-oic acid substituted by a 3beta-hydroxy and an oxo group at position 20. It is isolated from the leaves of Syzygium claviflorum and exhibits anti-HIV activity.

platanic acid: inhibits HIV replication; isolated from Syzigium claviflorum; structure in first source
hydroxy monocarboxylic acid;
methyl ketone;
pentacyclic triterpenoid
anti-HIV agent;
metabolite
nsc 6242312'-nitrophenylphenylsulfone: inhibits HIV-1 reverse transcriptase; structure given in first source
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
n-acetylaspartic acidN-acetyl-L-aspartic acid : An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.N-acetyl-L-amino acid;
N-acyl-L-aspartic acid
antioxidant;
human metabolite;
mouse metabolite;
nutraceutical;
rat 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
salvinsalvin: a biocyclic diterpenoid; from sage and rosemary (Lamiaceae)abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
hexamidinehexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.aromatic ether;
guanidines;
polyether
antimicrobial agent;
antiseptic drug
neocuproineneocuproine : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9.

neocuproine: Spectrophotometric determination of copper and ultramicro blood sugar determinations; structure; RN given refers to parent cpd
phenanthrolineschelator;
copper chelator
o-(6)-methylguanine6-O-methylguanine : A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA.

methylguanine : A 2-aminopurine that is guanine bearing a single methyl substituent.

O-(6)-methylguanine: structure
methylguaninemutagen
epirubicin hydrochloride
meptazinol hydrochloride
sulconazole, mononitrate, (+-)-isomerconazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
prenylamine lactateprenylamine lactate: prenylamine compounded with lactic acid; not a salt
physodic acidphysodic acid: lichen constituentcarbonyl compound
rutecarpinerutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsulesbeta-carbolines
repaglinidepiperidines
telmisartantelmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension.

Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.
benzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
inogatraninogatran: a direct low molecular weight thrombin inhibitor
trihexyphenidyl hydrochloridearalkylamine
mepivacaine hydrochloridemepivacaine hydrochloride : The hydrochloride salt of mepivacaine. It is used as a local anaesthetic.hydrochloride;
piperidinecarboxamide
local anaesthetic
diphenidol hydrochloridediarylmethane
2-methoxyestradiol2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.17beta-hydroxy steroid;
3-hydroxy steroid
angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
toxoflavintoxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.

toxoflavin: azapteridine antibiotic; structure
carbonyl compound;
pyrimidotriazine
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
xanthoxyletinxanthoxyletin: structure in first sourcecoumarinsmetabolite
thionalidethionalide: complexes with methylmercury cpds; transports these cpds from liver to bile
parabanic acidparabanic acid : An imidazolidinone that is imidazolidine which is substituted by oxo groups at positions 2, 4 and 5.

parabanic acid: structure
hydracid;
imidazolidinone
human metabolite
caramiphen
dibenzthionedibenzthione: structurearomatic amine
tangeretinpentamethoxyflavone : A methoxyflavone that is flavone substituted by a five methoxy groups.

tangeretin : A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8.

tangeretin: structure given in first source; from citrus plants; inhibits invasion of MO4 mouse cells into embryonic chick heart in vitro
pentamethoxyflavoneantineoplastic agent;
plant metabolite
isopimpinellinisopimpinellin: from Ruta graveolens & Heracleum lanatum; structurepsoralens
isoimperatorinisoimperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor.

isoimperatorin: tumor necrosis factor antagonist isolated from Glehniae root
psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
5-hydroxyflavoneflavones
5,6,7,8-tetrahydro-1-naphthol5,6,7,8-tetrahydro-1-naphthol : 1-naphthol hydrogenated at C-5, -6, -7 and -8.tetralins
prazosin hydrochloridehydrochloride
miconazole nitratemiconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-miconazole nitrate. An antifungal used for the treatment of athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.
econazole nitrateeconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-econazole nitrate. Used to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.
fenspiride hydrochloride
clanfenurclanfenur: a substituted benzoylphenyl urea; structure given in first source
artemisinin(+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.organic peroxide;
sesquiterpene lactone
antimalarial;
plant metabolite
esaprazoleesaprazole: RN given refers to parent cpd; structure in first source
bithionol sulfoxidebithionol sulfoxide: RN given refers to parent cpd; structure
cresolphthaleincresolphthalein: structure
5-aminovaleric acid hydrochloride
naphthyl phenyl ketonenaphthyl phenyl ketone: structure in first source
n-acetylhistamineN-acetylhistamine : A member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function.acetamides;
imidazoles
human metabolite
2-Benzo[b]thiophen-3-ylacetic acid1-benzothiophenes
4-hexyloxybenzoic acid4-hexyloxybenzoic acid: structure in first source
2,3,4-trihydroxbenzophenone2,3,4-trihydroxbenzophenone : A benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator.benzenetriol;
hydroxybenzophenone
drug metabolite;
EC 1.14.18.1 (tyrosinase) inhibitor;
human urinary metabolite;
quorum sensing inhibitor;
rat metabolite
aprofenaprofen: RN given refers to parent cpd; structure
n-methylscopolamineN-Methylscopolamine: A muscarinic antagonist used to study binding characteristics of muscarinic cholinergic receptors.
enrofloxacinenrofloxacin : A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets.

Enrofloxacin: A fluoroquinolone antibacterial and antimycoplasma agent that is used in veterinary practice.
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone
antibacterial agent;
antimicrobial agent;
antineoplastic agent
secnidazoleC-nitro compound;
imidazoles;
secondary alcohol
epitope
(S)-flurbiprofenflurbiprofen
thioxolonetioxolone : A 1,3-benzoxathiole having a hydroxy substituent at the 6-position.benzoxathioleantiseborrheic
epicatechin(-)-epicatechin : A catechin with (2R,3R)-configuration.catechin;
polyphenol
antioxidant
magnololbiphenyls
honokiolbiphenyls
sesamin(+)-sesamin : A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity.benzodioxoles;
furofuran;
lignan
antineoplastic agent;
neuroprotective agent;
plant metabolite
chelerythrine chloride
betulinbetulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.

betulin: isolated from various white birch bark (BETULA)
diol;
pentacyclic triterpenoid
analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
nobiletinnobiletin : A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively.methoxyflavoneantineoplastic agent;
plant metabolite
picropodophyllinpicropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity

picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents.
furonaphthodioxole;
lignan;
organic heterotetracyclic compound
antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
9-methoxyellipticine9-methoxyellipticine: RN given refers to parent cpd
coumarin 153coumarin 153: structure in first source7-aminocoumarinsfluorochrome
berberrubineberberrubine: RN refers to chloride salt; a protoberberine alkaloid antitumor agent which exhibits topoisomerase II poison activity as well as catalytic inhibition activity; structure in first source
methyl fluorone blackmethyl fluorone black: structure
1,10-phenanthroline-5,6-dione1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source
methylene violetmethylene violet: structure given in first source
rebeccamycinrebeccamycin : An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens.

rebeccamycin: from actinomycete strain C-38,383; structure given in first source
indolocarbazole;
N-glycosyl compound;
organic heterohexacyclic compound;
organochlorine compound
lobaric acidlobaric acid: inhibits formation of leukotrienes C4, D4, and E4; also reduces muscle contraction; structure in first sourcecarbonyl compound
thianthrene 5-oxidethianthrene 5-oxide: used as a probe of the electrophilicity of hemoprotein oxidizing species; structure given in first source
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride.hydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor
stictic acidstictic acid: antioxidant from lichen, Usnea articulata; structure in first sourcearomatic ether
oxazolidin-2-oneoxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.

oxazolidinone : An oxazolidine containing one or more oxo groups.

Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.
carbamate ester;
oxazolidinone
metabolite
n-benzylmaleimide
2-phenylisatogen2-phenylisatogen: inhibitor of mitochondrial oxidative phosphorylation; structure
atovaquoneatovaquone : A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position.

Atovaquone: A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols.
hydroxy-1,2-naphthoquinone
4-(2-thiazolylazo)resorcinol4-(2-thiazolylazo)resorcinol: sensitive indicator for metals
p-Aminobenzamidine dihydrochlorideorganic molecular entity
4,4'-dipyridyl disulfide4,4'-dipyridyl disulfide : An organic disulfide obtained by formal oxidative dimerisation of 4-thiopyridine.organic disulfide;
pyridines
butyrylcholine chloride
1-(2,4-dihydroxyphenyl)-1-hexanonearomatic ketone
moroxydine monohydrochloride
1-pyrenebutyrate1-pyrenebutyrate: fluorescent probe; RN given refers to 1-pyrenebutyrate
enpiperateenpiperate: RN given refers to parent cpd
4-phenyl-1,2,4-triazoline-3,5-dione4-phenyl-1,2,4-triazoline-3,5-dione: structure given in first source
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
methyl 2,4-dihydroxy-3,6-dimethyl benzoateatraric acid: structure in first source; from the stem barks of Newbouldia laevis4-hydroxybenzoate ester
ortho-(1-naphthoyl)benzoic acidortho-(1-naphthoyl)benzoic acid: structure in first source
12-hydroxydodecanoic acid12-hydroxylauric acid : A medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid.omega-hydroxy-medium-chain fatty acidhuman metabolite
1-(4-nitrophenyl)piperazine1-(4-nitrophenyl)piperazine: structure in first source
5-phenoxysulfonyl-1-methyl-4-nitroimidazole5-phenoxysulfonyl-1-methyl-4-nitroimidazole: structure given in first source
N,N'-bis(3-methylphenyl)ethane-1,2-diamineaminotoluene
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
2-butyl-6-(butylamino)-1h-benzo(de)isoquinoline-1,3(2h)-dione
7-(diethylamino)-1-benzopyran-2-onecoumarins
5,7-dimethoxyflavonechrysin 5,7-dimethyl ether : A dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin.dimethoxyflavoneplant metabolite
pc-796
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester: structure given in first source
nicotine(S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
1-(10-methyl-2-phenothiazinyl)ethanonephenothiazines
phentolamine mesylate
sennoside Bsennoside B : A member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'.oxo dicarboxylic acid;
sennosides
prochlorperazine edisylate salt
nimustinenimustine hydrochloride : A hydrochloride obtained by combining nimustine with one equivalent of hydrochloric acid. An antineoplastic agent especially effective against malignant brain tumors.hydrochlorideantineoplastic agent
mci 9038peptide
totaroltotarol: structure given in first source; isolated from the bark of Podocarpus nagiditerpenoidmetabolite
malic acid, (r)-isomer(R)-malic acid : An optically active form of malic acid having (R)-configuration.malic acid
21-deoxycortisol21-deoxycortisol : A deoxycortisol that is 17xi-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency.

21-deoxycortisol: RN given refers to (11beta)-isomer; structure
11beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone
human blood serum metabolite;
mouse metabolite
estrone 3-methyl etherestrone 3-methyl ether: RN given refers to cpd with unspecified isomeric designation; structure
e-250
levcromakalim1-benzopyran
1-(2-thiazolylazo)-2-naphthol1-(2-thiazolylazo)-2-naphthol: used to locate cadmium not bound to metallothionein
3-hydroxydodecanoic acid3-hydroxydodecanoic acid: RN given refers to cpd without isomeric designation

3-hydroxylauric acid : A medium-chain fatty acid that is the 3-hydroxylated derivative of lauric acid; associated with fatty acid metabolic disorders.
3-hydroxy fatty acid;
medium-chain fatty acid
coumarin 7coumarin 7: structure in first source
methylene bis(methylanthranilate)methylene bis(methylanthranilate): structurediarylmethane
efuamideefuamide: same cpd is obtained from residue of ignited APC tablets; structure given in first source
diffractaic aciddifractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first sourcecarbonyl compound
osajinosajin: from Maclura pomiferaisoflavanones
2,2',4,4'-tetrabromodiphenyl etheraromatic ether;
organobromine compound
4-methylnicotinamide4-methylnicotinamide: structure given in first source
4-n-butylaminobenzoic acid4-(butylamino)benzoic acid : 4-Aminobenzoic acid in which one of the hydrogens attached to the nitrogen is substituted by a butyl group.

4-n-butylaminobenzoic acid: degradation product of tetracaine
aromatic amino acid
4',5,6,7-tetramethoxyflavone4',5,6,7-tetramethoxyflavone : A tetramethoxyflavone that is the tetra-O-methyl derivative of scutellarein.

4',5,6,7-tetramethoxyflavone: structure given in first source; from plant Eupatorium odoratum
tetramethoxyflavoneantimutagen;
plant metabolite
girinimbinegirinimbine: carbazole alkaloidcarbazolesmetabolite
4-chloro-3-(2,4-dihydroxyphenylazo)-2-hydroxybenzene-1-sulfonic acid
4-hydroxybenzylamine4-hydroxybenzylamine: RN given refers to parent cpdaromatic amine
6-methoxyflavanone6-methoxyflavanone: structure in first source
allocryptopinearomatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound
phellopterinphellopterin: a naturally occurring furanocoumarin found in roots of Angelica dahurica; structure in first sourcepsoralens
4-hydroxyantipyrine4-hydroxyantipyrine: metabolite of antipyrine; structure in third sourcepyrazoles;
ring assembly
zpckZPCK: alkylates histidine residue at active center of bovine chymotrypsin
2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source
n-benzoyl-l-phenylalaninolN-benzoyl-L-phenylalaninol : A member of the class of benzamides resulting from the formal condensation of the carboxy group of benzoic acid with the amino group of L-phenylalaninol.

N-benzoyl-L-phenylalaninol: isolated from culture filtrate and mycelium af Aspergillus flavipes ATCC 11013; structure
n-benzyloxycarbonylphenylalanyl-valine
l 10503
difenpiramidebiphenyls;
monocarboxylic acid amide;
pyridines
antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
wr 159412
karanjinkaranjin: structure given in first sourceextended flavonoid
n(6)-phenyladenosinepurine nucleoside
episesamin1-asarinine: structure; might this actually be asarinin?(sb)
Meprylcaine hydrochloridebenzoate ester
hedionelipid
4'-methoxyflavanone4'-methoxyflavanone : The parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position.4'-methoxyflavanones
cp-55,940
indolactam vindolactam V: only the (-)-isomer of indolactam V showed carcinogenic activity; structure given in first sourceindoles
paxillinepaxilline : An indole diterpene alkaloid with formula C27H33NO4 isolated from Penicillium paxilli. It is a potent inhibitor of large conductance Ca2(+)- and voltage-activated K(+) (BK)-type channels.

paxilline: structure given in first source; RN given refers to (2R-(2alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta))-isomer
diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol
anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker
sivelestatsivelestat: inhibitor of neutrophil elastase; structure given in first sourceN-acylglycine;
pivalate ester
methoctraminemethoctramine : A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents.

methoctramine tetrahydrochloride : A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid.

methoctramine: structure given in first source
hydrochloridemuscarinic antagonist
gr 127935GR 127935 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration.

GR 127935: a 5-HT 1D receptor antagonist
1,2,4-oxadiazole;
benzamides;
N-alkylpiperazine;
N-arylpiperazine
afdx 116otenzepad: cardioselective muscarinic receptor antagonist; structure given in first sourcebenzodiazepine
cl 218872CL 218872: shows specific action on benzodiazepine receptors; structurepyridazines;
ring assembly
betaxolol hydrochloridebetaxolol hydrochloride : The hydrochloride salt of betaxolol.hydrochlorideantihypertensive agent;
beta-adrenergic antagonist
sphondinsphondin: from Heracleum laciniatum; cause of phototoxicity in patient with vitiligofuranocoumarin
carboxyamido-triazolecarboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201
tanshinonetanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agentabietane diterpenoidanticoronaviral agent
pterosin bpterosin B: structure in first source
gastrodingastrodin: the glucoside of 4-hydroxybenzyl alcohol (gastrodigenin); isolated from Gastrodia elata Blume;glycoside
n-(phenylthio)-epsilon-caprolactamN-(phenylthio)-epsilon-caprolactam: used as promoter for activation of thioglycosides; structure in first source
afdx 384AF-DX 384 : A pyridobenzodiazepine that acts as a selective antagonist of the muscarinic acetylcholine receptors.benzodiazepine
pramipexolepramipexole : A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively.

Pramipexole: A benzothiazole derivative and dopamine agonist with antioxidant properties that is used in the treatment of PARKINSON DISEASE and RESTLESS LEGS SYNDROME.
benzothiazoles;
diamine
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
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
phacidinphacidin: fungal growth inhibitor from Potebniamyces balsamicola var. boycei; also active against bacteria
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
glabridinhydroxyisoflavansantiplasmodial drug
desloratadinedesloratadine : Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness.

desloratadine: major metabolite of loratadine
benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
1,2-hexanoylphosphatidylcholine1,2-hexanoylphosphatidylcholine: RN given refers to cpd without isomeric designation
rubimaillinrubimaillin : A benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme.

rubimaillin: structure given in first source
benzochromene;
methyl ester;
phenols
acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite
w 7
lestaurtinibindolocarbazole
methotrexatedicarboxylic acid;
monocarboxylic acid amide;
pteridines
abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
ro 32-0432
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source
3-(alpha,alpha-dimethylallyl)psoralen3-(alpha,alpha-dimethylallyl)psoralen: from oil from Ruta montana L.; structurefuranocoumarin
delphinidindelphinidin : An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium.

delphinidin: RN given refers to parent cpd;
5-hydroxyanthocyanidinantineoplastic agent;
biological pigment;
plant metabolite
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
rufinamiderufinamide: for treatment of Lennox-Gastaut syndrome; structure in first sourcearomatic amide;
heteroarene
cki 7N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide : A member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I.

N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide: casein kinase I inhibitor; structure given in first source
isoquinolines;
organochlorine compound;
primary amino compound;
sulfonamide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
l 670548L 670548: structure given in first source; muscarinic receptor agonist
azaprophenazaprophen: RN & structure given in first source; RN given refers to parent cpd
aq-ra 741AQ-RA 741: tricyclic cpd; structure given in first sourcebenzodiazepine
foy 2514-(4-guanidinobenzoyloxy)phenylacetic acid: RN given refers to monomethanesulfonate
n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide
cercosporamidecercosporamide : A member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii.

cercosporamide: antineoplastic; RN refers to (S)-isomer
dibenzofurans;
methyl ketone;
monocarboxylic acid amide;
polyphenol
antifungal agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite;
phytotoxin
bibn 99BIBN 99: structure given in first source; a highly selective M2 antagonist
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan3,5-bis(trifluoromethyl)benzyl N-acetyltryptophan: structure given in first source; substance P and neurokinin receptor antagonist
tripitraminetripitramine: structure given in first source; preferentially binds to M2 receptors
l 7416263-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first sourcepiperidines
5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone: has antineoplastic activity; structure in first sourceether;
flavonoids
7,4'-Di-O-methyldaidzeinmethoxyisoflavone
methaneboronic acid
5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecanesecondary amino compound
amphethinileamphethinile: structure given in first source
phyllodulcin, (r)-isomerphyllodulcin: RN given refers to cpd without isomeric designation; structurehydroxybenzoic acid
teomorfolinteomorfolin: structure given in first source
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
nsc-141549
1,2-dioctanoylglycerol1,2-dioctanoyl-sn-glycerol : 1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. Formula C19H36O5.1,2-diacyl-sn-glycerol;
dioctanoylglycerol
vatalanibmonochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
12-phenyllauric acid
1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester: structure given in first source
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
solifenacinisoquinolines
hyoscyamine(S)-atropine : An atropine with a 2S-configuration.

Hyoscyamine: The 3(S)-endo isomer of atropine.
tropane alkaloid
1,4-dimethyl-6-nitro-9H-carbazolecarbazoles
schizandrin aschizandrin A: the major lignan, 2-9%, of Schisandra plant; has hepatoprotective, antioxidant, and antineoplastic activities
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
cinacalcet hydrochloridecinacalcet hydrochloride : A hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride.

Cinacalcet Hydrochloride: A naphthalene derivative and CALCIMIMETIC AGENT that increases the sensitivity of PARATHYROID GLAND calcium-sensing receptors to serum calcium. This action reduces parathyroid hormone secretion and decreases serum calcium in the treatment of PARATHYROID DISEASES.
hydrochloridecalcimimetic;
P450 inhibitor
cinacalcetcinacalcet : A secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group.(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound
calcimimetic;
P450 inhibitor
birb 796aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
nps-568N-(2-chlorophenylpropyl)-1-(3-methoxyphenyl)ethylamine: NPS-568 is the ((R), HCl salt)-isomer; calcimimetic compound and calcium-sensing receptor agonist
nps-568
malvidinmalvidin : An anthocyanidin cation that is delphinidin carrying methyl substituents at positions 3' and 5'.

malvidin: RN given refers to parent cpd; coloring agent from flowers of Malvaviscus conzatti
5-hydroxyanthocyanidinbiological pigment;
metabolite
7-octylindolactam v7-octylindolactam V: only (-)-isomer has carcinogenic activity
homonojirimycinhomonojirimycin: inhibits alpha-glucosidase; RN given for (2R-(2alpha,3alpha,4beta,5alpha,6beta))-isomer; structure in first source
4,8-dimethyl-5'-carboxypsoralen4,8-dimethyl-5'-carboxypsoralen: major metabolite of trioxsalen
tetrahydroharmine
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
n-phthaloylglutamic acidN-phthaloyl-L-glutamic acid : A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group.L-glutamic acid derivative;
phthalimides
harmalanharmalan: structure given in first sourceharmala alkaloid
epiberberineepiberberine: isolated in plants of Coptis from China
8-(4-benzenesulfonylamino)quinoline8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source
f 1459F 1459: RN given refers to HCl
2,4-dinitropyrimidinyl-2-thiophenol
fasudil hydrochloridefasudil hydrochloride : A hydrochloride obtained by reaction of fasudil with one equivalent of hydrochloric acid.hydrochlorideantihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
neuroprotective agent;
nootropic agent;
vasodilator 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'-hydroxyflavanone4'-hydroxyflavanone: structure in first source

4'-hydroxyflavanones : Any hydroxyflavanone having a hydroxy substituent located at position 4'.
4'-hydroxyflavanones;
monohydroxyflavanone
atropinetropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.
chrysomycin b
sb 203580imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
sb 216763indoles;
maleimides
enzastaurinindoles;
maleimides
zm 241385ZM 241385: a high affinity radioligand selective for the A2a adenosine receptordiamino-1,3,5-triazine
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
l 694,458DMP 777: structure given in first source
5-chloropyrazinamide
nantenine, (+-)-isomer
melagatranazetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
moracin mmoracin M: has been isolated from Morus alba L.; structure in first sourcebenzofurans
pefabloc
ethyl n-phthalimidoxyacetate
4-anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)4-anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid): structure given in first source
sb 205384SB 205384: structure in first sourcethienopyridine
hydrastine hydrochloride, (s-(r*,s*))-isomer
serc
razaxabanrazaxaban: structure in first source
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
4-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acidpyrroles
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
sorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide
angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
fonsecinfonsecin : A naphtho-gamma-pyrone that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2, a methoxy substituent at position 6 and three hydroxy substituents at positions 2, 5 and 8.aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols
Aspergillus metabolite;
marine metabolite
solifenacin succinateSolifenacin Succinate: A quinuclidine and tetrahydroisoquinoline derivative and selective M3 MUSCARINIC ANTAGONIST. It is used as a UROLOGIC AGENT in the treatment of URINARY INCONTINENCE.isoquinolines
glucuronolactone
1-Anilino-9,10-dioxo-2-anthroic acidanthracenes
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
deoxycholic aciddeoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.

Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human blood serum metabolite
1,1,3,3-tetraphenylureaureas
cortisone11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
human metabolite;
mouse metabolite
2-carbazol-9-ylbenzoic acidcarbazoles
equilinEquilin: An estrogenic steroid produced by HORSES. It has a total of four double bonds in the A- and B-ring. High concentration of euilin is found in the URINE of pregnant mares.17-oxo steroid;
3-hydroxy steroid
N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] esteranilide
1-keto-1,2,3,4-tetrahydrophenanthrene1-keto-1,2,3,4-tetrahydrophenanthrene: structure in first source
cortodoxone21-hydroxy steroid
N-(3-chlorophenyl)carbamic acid 2-pyridinylmethyl estercarbamate ester
acetoxycycloheximideacetoxycycloheximide: structure
1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol: suppresses Jak2-mediated pathologic cell growth; structure in first source
epietiocholanoloneepietiocholanolone : A 3beta-hydroxy steroid that is 5beta-androstane substituted by a hydroxy group at position 3beta and an oxo group at position 17. It is a metabolite of testosterone.17-oxo steroid;
3beta-hydroxy steroid;
androstanoid
androgen;
animal metabolite;
human blood serum metabolite;
mouse metabolite;
rat metabolite
melengestrol acetateMelengestrol Acetate: A 6-methyl PROGESTERONE acetate with reported glucocorticoid activity and effect on ESTRUS.corticosteroid hormone
raubasine
anisomycin(-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.

Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic
anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
nsc 832653-tritylthio-L-alanine: RN & NM given refers to (L)-isomerbenzenoid aromatic compound
1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanonestilbenoid
N-cyclooctyl-4-methylbenzenesulfonamidesulfonamide
4-benzyloxy-2-nitroaniline4-benzyloxy-2-nitroaniline: structure in first source
nsc 953971,4-naphthoquinones
1-phenyl-3-(3,4,5-trimethoxyphenyl)-2-propen-1-onechalcones
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
oxolamine citrate
4-amino-1,2-dithiolane-4-carboxylic acid4-amino-1,2-dithiolane-4-carboxylic acid: structure in first source
esi-05ESI-05: an Epac inhibitor; structure in first source
dimethyl 2-(2-nitrobenzylidene)malonatedimethyl 2-(2-nitrobenzylidene)malonate: inhibits TLR4 signaling; structure in first source
nsc-126771dichloroallyl lawsone: structure
diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylatediethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate: structure in first source
u-29409
2-(3-nitrophenyl)-3,1-benzoxazin-4-onebenzoxazine
2-quinolinecarboxylic acid (4-nitrophenyl) esterquinolines
acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) esternaphthalenes
wortmanninacetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound
anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
nsc228155
1-phenylindolin-2-one1-phenylindolin-2-one: structure in first source
1-(benzenesulfonyl)indolesulfonamide
3,6-bis(2-pyridyl)-1,2,4,5-tetrazine3,6-bis(2-pyridyl)-1,2,4,5-tetrazine: structure in first source
nsc-260594NSC-260594: structure in first source
sirodesmin a
2-methyl-3-(phenylmethylthio)-1H-indoleindoles
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
3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl esterthienopyridine
medicarpin(-)-medicarpin : The (-)-enantiomer of medicarpin.medicarpinplant metabolite
Diterpene deriv 329diterpenoid
1-(2,6-dichlorophenyl)-3-(6-methyl-3-pyridinyl)ureaureas
6-(2-chloroanilino)-4-oxo-2-(4-pyridyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrilesubstituted aniline
[4-(4-hydroxyphenyl)phenyl]-phenylmethanonebenzophenones
sakuranetin
1,3(2h,4h)-isoquinolinedione1,3(2H,4H)-isoquinolinedione: structure in first source
graveolinegraveoline: structure in first sourcequinolines
10H-[1]benzothiolo[3,2-b]indoleindoles
7-Methoxy-2-methylisoflavonemethoxyisoflavone
3H-benzo[e]indole-2-carboxylic acidindolyl carboxylic acid
cercosporincercosporin : An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora.

cercosporin: phyytotoxin from Cercospora beticola Sacc; posses photodynamic action on mice, bacteria & plants
4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acidtrihydroxyanthraquinone
perillyl alcohol(S)-(-)-perillyl alcohol : A perillyl alcohol in which the chiral centre has S configuration.perillyl alcohol
5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one: structure given in first source; a dibenzo derivative of AQ-RA 741; a m2-selective muscarinic antagonist
2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone: structure in first source
nsc668394
2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione : A spiro compound that consists of two units of 1,2,3,6,7,8-hexahydro-5H-cyclopenta[b]naphthalen-5-one fused together at position 2. It is an inhibitor of Hepatitis C virus E2 protein that exhibits inhibitory activity against hepatitis C virus infections.carbopolycyclic compound;
cyclic ketone;
diketone;
spiro compound
antiviral agent
nsc 674495NSC 674495: structure in first source
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
nsc689857
nu 6027
meridianin gmeridianin G: from the tunicate Aplidium meridianum; structure in first source
mequindoxMequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source
1-methyl-6-methoxy-dihydro-beta-carboline
N-(2-phenylphenyl)-2-pyrazinecarboxamidearomatic amide
9-deazaadenosine
nsc354961
deoxyglucose2-deoxy-D-glucopyranose : A 2-deoxy-D-glucose that is D-glucopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen.2-deoxy-D-glucosemetabolite
inositol 1,4,5-trisphosphateInositol 1,4,5-Trisphosphate: Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin.myo-inositol trisphosphatemouse metabolite
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
androstane-3,17-dione, (5beta)-isomer5beta-androstane-3,17-dione : An androstane-3,17-dione with a 5beta-configuration.3-oxo-5beta-steroid;
androstane-3,17-dione
mouse metabolite
pelargonidinpelargonidin : An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4'.

pelargonidin: influences flower phenotype
5-hydroxyanthocyanidinplant metabolite
saquinavirsaquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.

Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.
L-asparagine derivative;
quinolines
antiviral drug;
HIV protease inhibitor
epiandrosteroneepiandrosterone : A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17.17-oxo steroid;
3beta-hydroxy steroid;
androstanoid
androgen;
human metabolite
terconazole(2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively.

terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida).

terconazole: structure & RN for (cis)-isomer from first source
1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
cyanidin 3-o-beta-d-glucopyranosidecyanidin 3-O-beta-D-glucoside : An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3.anthocyanin cation;
beta-D-glucoside;
monosaccharide derivative
metabolite
buclizineluteolinidin: structure in first source5-hydroxyanthocyanidin
peonidinpeonidin : An anthocyanidin cation that is flavylium bearing four hydroxy substituents at positions 3, 4', 5 and 7 as well as a methoxy substituent at position 3'.

peonidin: a COX-2 inhibitor with protein kinase inhibitory and phytogenic antineoplastic activities; RN given for chloride salt
5-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite
petunidinpetunidin : An anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'.

petunidin: RN given for chloride salt
5-hydroxyanthocyanidinplant metabolite
naringin(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside
anti-inflammatory agent;
antineoplastic agent;
metabolite
[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetatecarbotricyclic compound;
carboxylic ester;
cyclic ketone
tolterodinetertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
doxorubicin hydrochlorideanthracycline
darifenacindarifenacin : 2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence.1-benzofurans;
monocarboxylic acid amide;
pyrrolidines
antispasmodic drug;
muscarinic antagonist
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
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
docosahexaenoateall-cis-docosa-4,7,10,13,16,19-hexaenoic acid : A docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19.

docosahexaenoate : A polyunsaturated fatty acid anion that is the conjugate base of docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

docosahexaenoic acid : Any C22 polyunsaturated fatty acid containing six double bonds.

efalex: a mixture of fish oil and primrose oil; used as a high-docosahexaenoic acid fatty acid supplement
docosahexaenoic acid;
omega-3 fatty acid
algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
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
(3R,5S)-fluvastatin(3R,5S)-fluvastatin : A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which the stereocentres beta- and delta- to the carboxy group have R and S configuration, respectively. The drug fluvastatin is an equimolar mixture of this compound and its enantiomer.(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid;
statin (synthetic)
mycophenolic acidmycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.

mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.

Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols
anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
mupirocinmupirocin : An alpha,beta-unsaturated ester resulting from the formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with the carboxy group of (2E)-4-[(2S)-tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoic acid in which the tetrahydropyranyl ring is substituted at positions 3 and 4 by hydroxy groups and at position 5 by a {(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl group. Originally isolated from the Gram-negative bacterium Pseudomonas fluorescens, it is used as a topical antibiotic for the treatment of Gram-positive bacterial infections.

Mupirocin: A topically used antibiotic from a strain of Pseudomonas fluorescens. It has shown excellent activity against gram-positive staphylococci and streptococci. The antibiotic is used primarily for the treatment of primary and secondary skin disorders, nasal infections, and wound healing.
alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol
antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
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
zithromaxazithromycin : A macrolide antibiotic useful for the treatment of bacterial infections.

Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.
macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
pd 173955PD 173955: inhibits src family-selective tyrosine kinase; structure in first sourcearyl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor
phenylalanyl-prolyl-arginineoligopeptide
t0901317T0901317: an LXRalpha and LXRbeta agonist
n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)ureaN-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea: structure in first source
y 27632Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source

Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme.
aromatic amide
h 1152(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane : A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane.isoquinolines;
N-sulfonyldiazepane
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
diethylstilbestroldiethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.

Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed)
olefinic compound;
polyphenol
antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine
purvalanol bpurvalanol B: protein kinase inhibitor; structure in first sourcepurvalanolprotein kinase inhibitor
h 89(E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.

N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source

N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
1,4-dideoxy-1,4-imino-d-arabinitol
12-deoxyphorbol 13-acetatephorbol estermetabolite
ketoconazole(2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
purvalanol a6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;purvalanol
melphalanmelphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.

Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
meso-dihydroguaiaretic acidmeso-dihydroguaiaretic acid : A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta.guaiacols;
lignan
plant metabolite
kazinol bkazinol B: a natural isoprenylated flavan
1-methoxyphaseollidin1-methoxyphaseollidin: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first sourcepterocarpans
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-onepsoralens
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazolebenzoxazole
3-Furan-3-yl-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one2-benzofurans
8-isopentenylnaringenin8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first sourceflavanones
isoxanthohumolisoxanthohumol: structure in first sourceflavanones
t-2 toxin
2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl esterheteroarene
1-[(4-fluoro-1-naphthalenyl)sulfonyl]piperidinenaphthalenes;
sulfonic acid derivative
6-ethoxy-2-[(4-fluorophenyl)methylthio]-1,3-benzothiazolebenzothiazoles
4-[[7-bicyclo[4.1.0]heptanyl(oxo)methyl]amino]benzoic acid ethyl esteramidobenzoic acid
8-prop-2-enylsulfonylquinolinequinolines
5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl estercarboxylic ester
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-dithiazoliminedimethoxybenzene
5-methoxy-3-methyl-1H-indole-2-carboxylic acid ethyl esterindolyl carboxylic acid
4,5-diphenyl-1,2,3-triazole4,5-diphenyl-1,2,3-triazole : A member of the class of triazoles that is 2H-1,2,3-triazole carrying two phenyl substituents at positions 4 and 5.benzenes;
ring assembly;
triazoles
2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline: prazosin metabolite; RN given refers to parent cpd
N-benzylquinazolin-4-amineN-benzylquinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4.benzenes;
quinazolines;
secondary amino compound
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-onebenzodiazepine
(5-methoxy-3-benzofuranyl)-phenylmethanonearomatic ketone
6-methyl-2-(methylthio)-N-phenyl-5-prop-2-enyl-4-pyrimidinaminearyl sulfide
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidinearyl sulfide
5-(4-nitrophenyl)-4-phenyl-2-thiazolamineC-nitro compound
cabreuvincabreuvin: structure in first sourcemethoxyisoflavone
3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]anilinepyrimidines
idarubicin hydrochlorideanthracycline
16-epivincaminealkaloidmetabolite
piplartinepiplartine: Antineoplastic Agent, Phytogenic; alkaloid from Piper; structure in first sourcecinnamamides;
dicarboximide
2'-hydroxychalcone2'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'.chalcones;
phenols
anti-inflammatory agent
xanthohumolxanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells.

xanthohumol: from hop plant, Humulus lupulus
aromatic ether;
chalcones;
polyphenol
anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite
dibenzylidene acetonedibenzylidene acetone: structure in first source
ilepcimideilepcimide: structure given in first source; RN given refers to compound with no isomeric designationbenzodioxoles
xanthoangelolxanthoangelol: from Angelica keiskei; structure given in first source; RN given refers to (E,E)-isomer
ricinoleic acidricinoleic acid : A (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration..

ricinoleic acid: RN given refers to (R-(Z))-isomer; structure in Merck Index, 9th ed, #8005
(9Z)-12-hydroxyoctadec-9-enoic acid
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
calmidazoliumcalmidazolium chloride : The organic choride salt of calmidazolium.organic chloride saltapoptosis inducer;
calmodulin antagonist
3,6-dimethoxy-9H-carbazolecarbazoles
3-(2-phenoxyethyl)-1,3-benzothiazol-2-onebenzothiazoles
2-(2,5-dimethoxyphenyl)-5-(5-methyl-2-furanyl)-1,3,4-oxadiazoledimethoxybenzene
2-pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] esteraromatic carboxylic acid;
pyridines
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamideanilide
1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2,3-dimethylphenyl)piperazinepiperazines
2-[[1-oxo-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]ethyl]amino]benzoic acid methyl esteramidobenzoic acid
3-[3-(2-methoxyphenoxy)propyl]-1,3-benzothiazol-2-onebenzothiazoles
9-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxidebenzothiazine
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamidebenzothiazoles
8-[(1-cyclohexyl-5-tetrazolyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-olazabicycloalkane
N-(1,3-benzothiazol-2-yl)-N-methylbenzamidebenzothiazoles
2-(1-benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazolebenzimidazoles
2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-oneheteroarene
3-[5-(4-ethylphenyl)-2-tetrazolyl]propanoic acid methyl estertetrazoles
2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamidebenzotriazoles
1-methyl-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl esterpiperazines
4-methyl-N-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]benzamidebenzamides
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acidindolyl carboxylic acid
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid butyl esterdichlorobenzene
N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4-triazolecarboxamidebenzodioxoles
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazoleoxadiazole;
ring assembly
3-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydroisoxazole-5-carboxamideanilide
1-(ethylamino)-3-[3-(ethylamino)-2-hydroxypropoxy]-2-propanolamino alcohol
1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazinepiperazines
2-furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanoneN-arylpiperazine
2-[(2-methoxy-1-oxoethyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl esterthiophenecarboxylic acid
N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamideamidobenzoic acid
N-(2,5-diethoxyphenyl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamideimidazopyridine
N-(4-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamideanilide
8-[2-(4-methoxyphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decanepyrimidines
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamideanilide
2-(ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazolemethoxybenzenes
N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diaminedialkylarylamine;
tertiary amino compound
1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanonepiperazines
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamidebenzothiazoles
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanonepiperazines
1-[1-[[1-[(4-methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazolebenzotriazoles
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidinyl)-3-piperidinecarboxamidebenzodioxine
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamidebenzothiazoles
2-[(2,5-dimethylphenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazolearyl sulfide
1-phenyl-4-[[1-(phenylmethyl)-5-tetrazolyl]-(3-pyridinyl)methyl]piperazinepiperazines
4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolaminethiazoles
6-methoxy-3-[[[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-onequinolines
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinonequinazolines
2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl esteraryl sulfide
4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenolN-arylpiperazine
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl esterdichlorobenzene
N-(3-methyl-2-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamidebenzofurans
N-[2-[(3-chloroanilino)-oxomethoxy]ethyl]carbamic acid propan-2-yl estercarbamate ester
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene
dithizoneDithizone: Chelating agent used for heavy metal poisoning and assay. It causes diabetes.
ipratropium bromide anhydrous
ipratropium
methamilane methiodide
2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-onequinazolines
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamidearomatic amide
LSM-19776organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4h-chromene2-amino-3-cyano-7-(dimethylamino)-4-(3-methoxy-4,5-methylenedioxyphenyl)-4H-chromene: induces apoptosis; structure in first source
1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acidquinolines
5-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl esterindolyl carboxylic acid
5-[4-morpholinyl(oxo)methyl]-2-pyranonemorpholines
3-(5-cycloheptylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl)propanoic acidthiazolidines;
thiocarbonyl compound
N-(3-methoxyphenyl)-2-(2-pyridinylthio)acetamideanilide
1-[(1,3-benzothiazol-2-ylthio)methyl]-2-azepanonebenzothiazoles
2-cyano-N-(3-methoxypropyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
N-[1-(1-hexyl-2-benzimidazolyl)ethyl]-2-furancarboxamidebenzimidazoles
5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl esterindolyl carboxylic acid
2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester2-methoxyethyl ester;
N-arylpiperazine
1-phenyl-N-(3-propan-2-yloxypropyl)-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
5-bromo-3-ethyl-1H-indole-2-carboxylic acidindolyl carboxylic acid
5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidinepyrimidines
arachin
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
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl esterquinoxaline derivative
3-[(2,6-dichlorophenyl)methylthio]-4-methyl-5-thiophen-2-yl-1,2,4-triazoledichlorobenzene
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanoldichlorobenzene
N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamidequinolines
6-(4-methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoletriazolothiadiazole
6-cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazolecardionogen-1 : A triazolothiadiazole that is [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole which is substituted at positions 3 and 6 by 2-furyl and cyclohexyl groups, respectively. A cardiomyocyte promoter and an inhibitor of Wnt/beta-catenin dependent transcriptional activity, it induces cardiac cell formation in murine stem cells and zebrafish embryos, expanding cardiac progenitor cells. A biphasic modulator of cardiogenesis, it can act as either a promotor or inhibitor of heart formation, depending on the stage of treatment.furans;
triazolothiadiazole
Wnt signalling inhibitor
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl esterquinoxaline derivative
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furanyl)-4-oxazolecarbonitrileisoquinolines
1-(2,1,3-benzoxadiazol-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanonebenzoxadiazole
5-(1-azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile1,3-oxazoles
4-(1H-benzimidazol-2-ylmethylthio)-2-methylbenzofuro[3,2-d]pyrimidinebenzimidazoles
(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl esterleucine derivative
LSM-19719pyrazoles;
ring assembly
(4-chloro-5-hydroxy-3-benzofuranyl)-phenylmethanonearomatic ketone
1-[1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamidepyrrolidines
5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-onebeta-carbolines
4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitriletriazoles
4,8-dimethyl-3-(phenylmethyl)-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-onecoumarins
Glyceryl lactopalmitatepyrazoles;
ring assembly
3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanolorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2-amino-4-(2-furanyl)-6-(2-pyridinyl)-3-pyridinecarbonitrilebipyridines
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamidearomatic amide;
heteroarene
2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrilepyrazoles;
ring assembly
3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid: structure given in first source
hl 725
7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dionepiperazines
N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamidebenzoxazine
(3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(2,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dionepyrrolidines
3-methyl-6-(1-naphthalenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolenaphthalenes;
triazolothiadiazole
2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamidepyrrolopyrimidine
7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dioneoxopurine
1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dionequinoxaline derivative
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolebenzodioxine;
triazolothiadiazole
dienestroldienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.

Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.
ag-213tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells;
3,3',4,5'-tetrahydroxystilbene3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer

piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5.
catechols;
polyphenol;
resorcinols;
stilbenol
antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thionearomatic ether
N-(3-acetamidophenyl)-4-methoxybenzamidebenzamides
N-(3-acetamidophenyl)-3-chlorobenzamidebenzamides
N-(2-furanylmethyl)-2-benzofurancarboxamidebenzofurans
7-[(3,5-dimethyl-4-isoxazolyl)methoxy]-1-benzopyran-2-onecoumarins
1-(4-methyl-1,2,5-oxadiazol-3-yl)-3-(3-pyridinyl)ureapyridines
te 5
5-(1,3-benzodioxol-5-yl)-2-[(2-chloro-6-fluorophenyl)methyl]tetrazolebenzodioxoles
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thioureathioureas
quinuclidinyl benzilate
2-(2-furanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
3-(4-methylbenzoyl)acrylic acidcarbonyl compound
1-(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)ethanonethienopyridine
4-thiomorpholinecarbodithioic acid [2-(4-chlorophenyl)-2-oxoethyl] esteraromatic ketone
4-methoxycinnamic acidcinnamic acids
6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylic acid ethyl esterindolyl carboxylic acid
n-phenyl-n'-2-pyridylthioureaN-phenyl-N'-2-pyridylthiourea: structure in first source
1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazinepiperazines
4-phenylbenzoic acid (propan-2-ylideneamino) esterbiphenyls
nitrofurylacrylic acid
5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidine-4-thioneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-(2-furanylmethyl)-3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amineorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
ceefourin 1ceefourin 1: inhibits multidrug resistance protein 4; structure in first source
stf 62247STF 62247: has antineoplastic activity; structure in first sourcesubstituted aniline
5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl esteraryl sulfide
1-(2-methoxyphenyl)-3-(2-pyridinyl)thioureathioureas
3-methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinonequinazolines
5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidine-4-thioneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
3-[(2,4-dichlorophenyl)methylthio]-1,2,4-thiadiazol-5-aminedichlorobenzene
5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-onepyrazoles;
ring assembly
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrilebenzenes;
nitrile
4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazoliminemethoxybenzenes;
substituted aniline
4-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl esterbenzoate ester
phenylthiazolylthioureaPhenylthiazolylthiourea: A dopamine-beta-hydroxylase inhibitor.
3-(1-azepanyl)-4-chloro-1-(2-methylphenyl)pyrrole-2,5-dionemaleimides
vu0038882VU0038882: structure in first source
2-[(3-methyl-2-thiophenyl)methylidene]indene-1,3-dionecyclic ketone;
indanones
Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylatethiophenecarboxylic acid
5-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-furancarboxamidearomatic amide;
furans
N-(2,5-dimethylphenyl)-2-benzofurancarboxamidearomatic amide;
furans
4,5-dimethylaminobenzylidene-2-thiobarbituric acid
2-(thiophen-2-ylmethylidene)indene-1,3-dionecyclic ketone;
indanones
2-phenylmethoxy-1-naphthalenecarboxaldehydenaphthalenes
2-amino-4-(2-furanyl)-3-thiophenecarboxylic acid ethyl esterthiophenecarboxylic acid
krm iii
1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ureaureas
5-amino-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl esterpyrazolopyridine
8-(2,5-dimethylphenoxy)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dioneoxopurine
3-[(4,8-dimethyl-2-quinolinyl)thio]propanoic acidquinolines
acetic acid [2-(2-methylphenyl)-4-oxo-3,1-benzoxazin-7-yl] esterbenzoxazine
3-pyridinecarboxylic acid (5-chloro-8-quinolinyl) esterorganochlorine compound;
quinolines
N-(4-methoxyphenyl)carbamic acid (9-fluorenylideneamino) esterfluorenes
N-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamidearomatic amide
4-methyl-2-(2-naphthalenyl)-1-phthalazinonephthalazines
2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrilequinolines
vu0099704VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source
6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazinetriazoles
2-(5,7-dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl esterpyrazoles;
ring assembly
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanoneisoquinolines
N-(4-anilinophenyl)-2,2,2-trichloroacetamideanilide
N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamidetriazoles
6-methyl-4-(trifluoromethyl)-7,8,9,10-tetrahydropyrano[2,3-f]quinolin-2-onepyridochromene
3-(2-phenoxyethyl)-1H-benzimidazole-2-thionebenzimidazoles
N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamidearomatic amide
3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thionethioureas
2-(2-phenylethyl)-1,3-benzoxazol-5-aminebenzoxazole
N-(4-methyl-2-thiazolyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamidebenzothiazoles
1-(3-((2',4'-Dimethyl-[4,5'-bithiazol]-2-yl)amino)phenyl)ethanonearomatic ketone
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thionebenzimidazoles
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzamidebenzamides
4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazinecarboxaldehydepyrimidines
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamidesulfonamide
6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diaminediamino-1,3,5-triazine
2-(8-quinolinylthio)acetic acid phenacyl esteraromatic ketone
2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine1,3,5-triazines;
organic sulfide
1-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]thioneisoquinolines
2-(1-methyl-2-phenyl-3-indolyl)ethanolphenylindole
3-(4-methylphenyl)sulfonyl-1,3-benzoxazol-2-onebenzoxazole
4-chloro-N-(4-methyl-2-thiazolyl)-2-nitrobenzamidecarbonyl compound;
organohalogen compound
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamideimidazoles
2-[[acetamido(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl esterthiophenecarboxylic acid
1-[[(1-methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenolnaphthols
1-[[2-(3-methylanilino)-1-oxoethyl]amino]-3-phenylthioureaorganonitrogen compound;
organooxygen compound
2-(3-cyano-4,5,6-trimethyl-1H-pyridin-2-ylidene)propanedinitrilemonoterpenoid
[5-(4-nitrophenyl)-2-furanyl]-(1-piperidinyl)methanoneN-acylpiperidine
N-(3-acetamidophenyl)-2-chlorobenzamidebenzamides
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diaminedialkylarylamine;
tertiary amino compound
2-bromo-N-(3-methoxyphenyl)benzamidebenzamides
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenolaromatic ether;
C-nitro compound
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl esteraromatic ether
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazolearomatic ether
[4-(2-methylphenyl)-1-piperazinyl]-(4-nitrophenyl)methanethionepiperazines
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethionearomatic ether
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thioureathioureas
1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazolebenzimidazoles
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanonestilbenoid
2-(2,4-dimethylphenyl)-5-benzotriazolaminetriazoles
3-(4-chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thionethioureas
2-[4-(4-fluorophenyl)-2-thiazolyl]-5-methyl-4H-pyrazol-3-onethiazoles
1-(4-bromophenyl)-3-(2-phenylethyl)thioureathioureas
5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazoleoxadiazole;
ring assembly
5-(4-chlorophenyl)-2-furanpropionic acid5-(4-chlorophenyl)-2-furanpropionic acid: related to orpanoxin; structure given in first source
6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-aminebenzoxazole
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) estertoluenes
6-(4-chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl esterphenylpyridine
2-methyl-N-(2-naphthalenyl)-3-furancarboxamidenaphthalenes
N-[(4-fluoroanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamidethioureas
N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamideC-nitro compound;
furans
7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2h-(1,4)-benzodiazepine-2-thione7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione: structure given in first source
1-(3-chlorophenyl)-3-(phenylmethyl)thioureathioureas
2-tert-butyl-N-(phenylmethyl)-4-pyridinecarboxamidepyridinecarboxamide
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazolearomatic ether
N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamideisoindoles
3-ethoxy-N-[(3-pyridinylamino)-sulfanylidenemethyl]benzamidebenzoic acids
N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenoxy)acetamidebenzodioxoles
2-[[(5-bromo-2-furanyl)-oxomethyl]amino]benzoic acidaromatic amide;
furans
2-ethoxy-N-(2-hydroxyphenyl)benzamidebenzamides
2-phenyl-1H-quinazoline-4-thionequinazolines
3-amino-5-phenyl-2-thiophenecarboxylic acid ethyl esterthiophenecarboxylic acid
N-[4-(4-chlorophenyl)-3,5-dimethyl-2-thiazolylidene]-2-furancarboxamidefuroic acid
2-(ethylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-onequinazolines
1-azepanyl-(4-methoxyphenyl)methanethionemethoxybenzenes
N-(2-bromo-4-methylphenyl)-5-ethyl-3-thiophenecarboxamidearomatic amide
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamidebenzamides
3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thionebenzenes
1-(3-methylphenyl)-3-[[oxo-(5-propyl-3-thiophenyl)methyl]amino]thioureaaromatic amide;
thiophenes
3-(1-benzothiophen-3-yl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thionetriazoles
4-(3-methylphenyl)-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thionetriazoles
3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thionetriazoles
3-(2-methyl-3-furanyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thionetriazoles
N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamideC-nitro compound;
furans
N-(2-chlorophenyl)-5-nitro-2-furancarboxamidearomatic amide;
furans
3-[[(4-methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl esterbenzamides
2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dionecyclic ketone;
indanones
1-(4-methoxyphenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]thioureamethoxybenzenes;
substituted aniline
4,5-dimethylcyclopenta[c]quinolizine-1,2-dicarboxylic acid dimethyl esterquinolizines
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamidesulfonamide
js 3
6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolebenzenes;
triazolothiadiazole
2-(3-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole(trifluoromethyl)benzenes
5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) esterpyrazoles;
ring assembly
4,4-dicarboxy-5-pyridoxylproline
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamidebenzodioxine
5-(4-methylphenyl)-2-phenyl-3-pyrazolaminepyrazoles;
ring assembly
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl esterquinolines
5-(4-fluorophenyl)-2-thiophen-2-yloxazole1,3-oxazoles
4-[[[2-(3-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl esterbenzoate ester
2-(4-methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazolemethoxybenzenes
(4-(3-chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone(4-(3-chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone: structure in first source
1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazoletetrazoles
4-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl esterbenzoate ester
3-acetyl-2-methylbenzo[f]benzofuran-4,9-dionenaphthofuran
3-bromo-N-[(tert-butylamino)-sulfanylidenemethyl]-4-methoxybenzamidecarbonyl compound;
organohalogen compound
4-(3,4-dimethylphenyl)-5-phenyl-2-thiazolaminethiazoles
N-(2,4-dichlorophenyl)-1-piperidinecarbothioamidethioureas
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanonearomatic ketone
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazoleoxadiazole;
ring assembly
2-(2-phenylethylthio)-3-pyridinecarboxylic acidaromatic carboxylic acid;
pyridines
4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamideN-arylpiperazine
N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamidethioureas
4-(2,4-dimethylphenyl)-2H-phthalazin-1-onepyridazines;
ring assembly
5-(2-furanylmethylamino)-2-(4-methoxyphenyl)-4-oxazolecarbonitrile1,3-oxazoles
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thioureaaromatic ether
2-(2-chlorophenyl)-5-(2-methylpropylamino)-4-oxazolecarbonitrile1,3-oxazoles
N-[anilino(sulfanylidene)methyl]-5-bromo-2-furancarboxamidethioureas
N-(3-methoxyphenyl)-3-[(4-methylphenyl)thio]propanamideanilide
3-[5-(4-fluorophenyl)-1-(2-furanylmethyl)-2-pyrrolyl]propanoic acidpyrroles
3-[5-(4-methoxyphenyl)-1-prop-2-enyl-2-pyrrolyl]propanoic acidpyrroles
3-[1-(4-acetylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acidaromatic ketone
N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]-2-phenylacetamideacetamides
4-acetamidobenzoic acid (2-chlorophenyl)methyl esteramidobenzoic acid
N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamidethiazoles
1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-methyl-1-propanonepiperazines
N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diaminediamino-1,3,5-triazine
4-[[(2-methyl-1,3-benzothiazol-6-yl)-oxomethyl]amino]benzoic acid methyl esteraromatic amide
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamideanilide
2-(2-methoxyphenyl)-1H-indolephenylindole
1-(6,8-dimethyl-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl)ethanonepyrroloquinoline
2-(4-chloro-2-methylanilino)-3-pyridinecarboxamidepyridinecarboxamide
4-methoxy-6-phenyl-1H-pyrimidine-2-thionepyrimidines
4-(1-oxopropylamino)benzoic acid (2-chlorophenyl)methyl esteramidobenzoic acid
N-(4,5-dimethyl-2-thiazolyl)cyclohexanecarboxamidethiazoles
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamidearomatic ether
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acidpsoralens
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
5-hydroxy-2-[[(4-methylphenyl)thio]methyl]-3-benzofurancarboxylic acid ethyl esterbenzofurans
5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazoleoxadiazole;
ring assembly
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazolephenylpyridine
3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazoleoxadiazole;
ring assembly
N'-(1,3-benzothiazol-2-yl)-4-fluorobenzohydrazidecarbonyl compound;
organohalogen compound
4-methoxy-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamidebenzoic acids
2-(2-cyclohexylidenehydrazinyl)-1-cyclohepta-2,4,6-trienonecyclic ketone
4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamidesulfonamide
2-(2-fluorophenyl)-5-(4-methyl-1-piperidinyl)-4-oxazolecarbonitrile1,3-oxazoles
2-(4-ethoxyanilino)-3-methoxynaphthalene-1,4-dione1,4-naphthoquinones
3-[(2-chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazolearyl sulfide
8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidobenzofuro[3,2-c]pyridin-2-iumphenylpyridine
flunarizineFlunarizine: Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.diarylmethane
thiothixeneN-methylpiperazineanticoronaviral agent
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazolearomatic ether
1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7H-purine-2,6-dionepiperazines
N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamidebenzodioxoles
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamidepiperidines
2-(2,3-dimethylphenoxy)-N-(2-oxo-1-benzopyran-6-yl)acetamidecoumarins
2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanonearomatic ketone
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
N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide
3-[[(3-acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl esteraromatic ketone
2-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl esterbenzoate ester
1-(2,4-dichlorophenyl)-3-(1-methyl-3-pyrazolyl)ureaureas
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamideacetamides;
anilide
4-[2-(3-methoxyanilino)-4-thiazolyl]phenolmethoxybenzenes;
substituted aniline
4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-2-thiazolaminedimethoxybenzene
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenolaromatic amine;
tertiary amino compound
3-chloro-4-[(1-ethyl-2-benzimidazolyl)thio]anilinearyl sulfide
1-(1-naphthalenylmethoxy)benzotriazolenaphthalenes
2,2-dimethyl-N-[[2-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]propanamidethioureas
N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamideanilide
1-(1-pyrrolidinyl)-2-(8-quinolinylthio)ethanonequinolines
N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-aminemethoxybenzenes;
substituted aniline
1-(4-bromophenyl)-3-(2-fluorophenyl)thioureathioureas
1-(3,4-dichlorophenyl)-3-(3,5-dimethylphenyl)thioureathioureas
5-(5-bromo-2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazoleoxadiazole;
ring assembly
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamidesulfonamide
umi-77UMI-77: an Mcl-1 inhibitor; structure in first source
1-[[[2-(difluoromethoxy)phenyl]-oxomethyl]amino]-3-(3-methylphenyl)thioureabenzoic acids
6-(4-benzoyl-1-piperazinyl)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrilepiperazines;
pyridines
1-[[[2-(2,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-3-phenylureaquinolines
3-amino-N-(2-fluorophenyl)-6-(phenylmethyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamidearomatic amide
2-[(5-bromo-2-thiophenyl)sulfonylamino]-N-(2-furanylmethyl)benzamidesulfonamide
2-(3-bromophenyl)-N-(4,5-dihydrothiazol-2-yl)-4-quinolinecarboxamidequinolines
1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-fluorophenyl)thioureadichlorobenzene
2-bromo-N-[2,3-dihydroindol-1-yl(sulfanylidene)methyl]benzamidecarbonyl compound;
organohalogen compound
N-[3-chloro-2-(4-morpholinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamidearomatic amide
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-cyclopropylmethanonethienopyridine
6-chloro-4-phenyl-3-(1-phenyl-5-tetrazolyl)quinolinequinolines
8-[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decanepyrazoles;
ring assembly
5-amino-4-[anilino(oxo)methyl]-3-methyl-2-thiophenecarboxylic acid ethyl esteraromatic amide
N-[2-(2-pyridinyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamidebenzimidazoles
5-(3-chlorophenyl)-N-(2-propyl-5-tetrazolyl)-2-furancarboxamidearomatic amide;
heteroarene
3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamidenaphthyridine derivative
1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamidenaphthalenes
N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamidebenzamides
3-[2-(3-methylphenoxy)ethyl]-1,3-benzothiazol-2-onebenzothiazoles
3-[2-(4-methylphenoxy)ethyl]-1,3-benzothiazol-2-onebenzothiazoles
N-(1,3-benzothiazol-2-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamidesulfonamide
[3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanonepiperazines
[4-(2-methoxyphenyl)-1-piperazinyl]-[5-(4-methylphenyl)-3-isoxazolyl]methanonepiperazines
[4-[[5-(2,4-dichlorophenyl)-3-isoxazolyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanonedichlorobenzene
6-(4,5-dihydrothiazol-2-ylthio)-N2,N4-bis(2-methylphenyl)-1,3,5-triazine-2,4-diaminediamino-1,3,5-triazine
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(2-pyridinylmethyl)ethanaminebenzodioxoles
N-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-diethoxyphenyl]benzamidebenzamides
(E)-4-Phenyl-2-(3-(thiophen-2-yl)acrylamido)thiophene-3-carboxylic acidthiophenecarboxylic acidanticoronaviral agent
5-chloro-4-(4-methylphenyl)sulfonyl-N-phenyl-2-thiazolaminesulfonic acid derivative
1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanonepyrroles
2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinaminemorpholines
4-(5,6-dimethyl-1-benzimidazolyl)-5-phenylthieno[2,3-d]pyrimidineorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
4-(4-ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl esterquinazolines
benztropinebenzatropine : Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.

Benztropine: A centrally active muscarinic antagonist that has been used in the symptomatic treatment of PARKINSON DISEASE. Benztropine also inhibits the uptake of dopamine.
diarylmethane
3-methoxy-4-(2-methoxy-3-methoxycarbonyl-1-naphthalenyl)-2-naphthalenecarboxylic acid methyl esternaphthoic acid
1-(2-chloro-10-phenothiazinyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanonephenothiazines
4-(3-bromophenyl)-2-(4-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazinepyridazines;
ring assembly
4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazinepyridazines;
ring assembly
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamidearomatic amide
5-bromo-2-furancarboxylic acid (3-benzamidophenyl) esterbenzamides
(4-phenyl-1-piperazinyl)-(9H-xanthen-9-yl)methanonexanthenes
[4-(4-fluorophenyl)-1-piperazinyl]-(2-methyl-3-pyrazolyl)methanonepiperazines
N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazidecarbohydrazide;
pyrazines
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamidearomatic ether
N-[[1-(benzenesulfonyl)-4-piperidinyl]methyl]benzenesulfonamidesulfonamide
LSM-27108quinolines
2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamidebenzisoxazole
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(1-piperidinyl)oxazole1,3-oxazoles
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamidearomatic amide;
thiophenes
2-[[(2,3-dimethoxyphenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamidedimethoxybenzene
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamidemethoxybenzenes
[4-(2-methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanonepiperazines
N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamidebenzenes
2-[(4-chlorophenyl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamidearyl sulfide
5-[[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-thiophen-2-yl-1,2,4-oxadiazoletriazoles
2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-phenylbenzamidebenzamides
LSM-28559pyridopyrimidine
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamidearomatic amide
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazinepiperazines
[4-(2,3-dimethylphenyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanonepiperazines
1-oxo-3-(1-piperidinyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]indole-2-carbonitrileindoles
2-(1-imidazolyl)-4-phenyl-6-(4-phenyl-1-piperazinyl)-1,3,5-triazinepiperazines
4-(5-methyl-2-furanyl)-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl esteramino acid amide
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanonearomatic ether
2-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinoneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
4,6-bis(1-pyrrolidinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine(trifluoromethyl)benzenes
2-(4-chlorophenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamidethioureas
4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamidebenzamides
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamidearomatic amide
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamidearomatic ether
vu0405601VU0405601: reduces sensitivity of hERG to inhibition by multiple blockers and prevents arrhythmias; structure in first source
N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamidecoumarins
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamidearomatic ether
N-(2-methyl-5-nitrophenyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amineC-nitro compound
1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl esternaphthyridine derivative
darunavir ethanolatephenothiazines
1-(4-bromophenyl)-3-(3-methylbutyl)thioureathioureas
3-(1-azepanylsulfonyl)-n-(3-bromphenyl)benzamide3-(1-azepanylsulfonyl)-N-(3-bromphenyl)benzamide: a sirtuin 2 inhibitor; structure in first source
4-bromo-3-nitrobenzoic acid [2-[anilino(oxo)methyl]phenyl] estercarbonyl compound
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamideC-nitro compound
N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamidearyl sulfide
2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzothiazolebenzothiazoles
N-(4-methylphenyl)-4-benzofuro[3,2-d]pyrimidinaminebenzofurans
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamidemethoxybenzenes
3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thionebenzothiazoles
(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanonearomatic ketone
4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-N,N-dimethylbenzenesulfonamidesulfonamide
2-furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanoneN-arylpiperazine
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanoneN-arylpiperazine
LSM-28273pyrazoles;
ring assembly
N-[6-[[cyclohexyl(oxo)methyl]amino]-3-pyridinyl]-2-pyridinecarboxamidepyridinecarboxamide
7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrilepiperazines;
pyridines
4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimineorganochlorine compound
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamidebenzamides
3-[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-(phenylmethyl)-2-pyridinonearyl sulfide
5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazoleoxadiazole;
ring assembly
2-[2-[2-(3-fluorophenyl)-4-thiazolyl]ethyl]isoindole-1,3-dionephthalimides
4-[(4-chloro-1-naphthalenyl)oxy]-5-methoxy-2-(2-pyridinyl)pyrimidineorganonitrogen heterocyclic compound
4-(2,6-dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidineorganonitrogen heterocyclic compound
2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide(trifluoromethyl)benzenes
4-[2-[(3,4-dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholinedichlorobenzene
3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridinepyrazoles;
ring assembly
4-(4-methyl-1-piperazinyl)-2,6-diphenyl-5-pyrimidinecarbonitrilepyrimidines
4-[(2-chloro-5-thiazolyl)methylthio]benzoic acidsulfanylbenzoic acid
5-[3-[(2,4-dichlorophenyl)methoxy]-2-thiophenyl]-1,2-dihydro-1,2,4-triazole-3-thionedichlorobenzene
4-[4-(2,4-dichlorophenyl)-2-thiazolyl]benzoic acidbenzoic acids
4-[2-[(2,4-dichlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]morpholinedichlorobenzene
5-[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-3-(methylthio)-1H-1,2,4-triazolearyl sulfide
(4-chlorophenyl)-[5-(4-morpholinyl)-4-(2-pyridinyl)-2-thiophenyl]methanonearomatic ketone
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-indolyl]acetic acid methyl esterindole-3-acetic acids
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrilearomatic ether
(4-chlorophenyl)-[4-[[(2,4-dichlorophenyl)thio]methyl]-4-hydroxy-1-piperidinyl]methanonebenzamides;
N-acylpiperidine
N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl estercarboxylic ester
2-[(2,4-dichlorophenyl)methylthio]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-4-quinazoliniminequinazolines
3-amino-N-(4-methylphenyl)-5-(methylthio)-1,2,4-triazole-4-carboxamideureas
5-methoxy-4-[(2-methoxyphenyl)thio]-2-phenylpyrimidinearyl sulfide
N-(4-bromo-2,6-dimethylphenyl)-2-methoxybenzamidebenzamides
6-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-onebenzothiazoles
4,6-bis(1-imidazolyl)-N,N-diphenyl-1,3,5-triazin-2-aminesubstituted aniline
4-[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]morpholinepyrroles
4-(1-benzimidazolyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidineorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanonearomatic ketone
cinnarizineCinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS.diarylmethane;
N-alkylpiperazine;
olefinic compound
anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
enclomipheneEnclomiphene: The trans or (E)-isomer of clomiphene.
epalrestatepalrestat : A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy.monocarboxylic acid;
thiazolidines
EC 1.1.1.21 (aldehyde reductase) inhibitor
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
auraptenaurapten: RN refers to (E)-isomer; structure given in first source

auraptene : A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties.
coumarins;
monoterpenoid
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary
4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl esterpyrimidinecarboxylic acid
4-[[(3,6-dichloro-2-methoxyphenyl)-oxomethyl]amino]benzoic acid propyl esterbenzamides
1-[[1-oxo-2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl]amino]-3-phenylthioureaaryl sulfide
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetic acid butyl estercoumarins
2-chloro-3-(prop-2-enylamino)naphthalene-1,4-dione1,4-naphthoquinones
3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acidnitronaphthalene
6-[4,6-bis(4-methoxyphenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-onephenylpyridine
4-methyl-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamidebenzoic acids
N-[(benzenesulfonylhydrazo)-sulfanylidenemethyl]-4-methylbenzamidesulfonamide
5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl esteraromatic amide;
thiophenes
1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acidpiperidines
4-butyl-3-(5-ethyl-3-thiophenyl)-1H-1,2,4-triazole-5-thionetriazoles
(2S)-3-(1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acidN-acyl-L-amino acid
N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamidebenzoic acids
2-methyl-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamidebenzoic acids
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
2-chloro-4,6-diphenylpyrimidinepyrimidines
1-[2-(2-methylphenoxy)ethyl]-3-phenylthioureathioureas
2-butoxy-3-phenyl-4-quinazolinonequinazolines
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diaminearomatic ether
4-[4-(3-chlorophenyl)-1-piperazinyl]anilinepiperazines
4-(1-benzotriazolyl)-3,5-dinitrobenzonitriletriazoles
4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thionepyrazoles;
ring assembly
5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinaminepyrazoles;
ring assembly
5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl esterbenzofurans
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenolaromatic amine
3-phenyl-2-propan-2-yl[1]benzopyrano[2,3-d]pyrimidine-4,5-dionechromones
1-[2-[(3-chloro-4-methoxyphenyl)methylthio]ethyl]-3-phenylthioureathioureas
xl147aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
6-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-onecoumarins
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylanilinearomatic ether
N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamidenaphthalenes;
sulfonic acid derivative
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amineN,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and dibutylnitrilo groups, respectively.pyridines;
quinazolines;
tertiary amino compound
1-[2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-3-phenylureaquinoxaline derivative
4-(2,4-dichlorophenoxy)-N-(3-pyridinyl)butanamidedichlorobenzene
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrilearomatic ether
N-(4-fluorophenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamidediarylmethane
N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamidequinoxaline derivative
N,N-bis(2-methoxyethyl)-2-thieno[3,2-b][1]benzothiolecarboxamide1-benzothiophenes
N-(4,5-diphenyl-2-oxazolyl)-3-methoxybenzamide1,3-oxazoles
3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamidearomatic amide
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazolearomatic ether
2-(4-fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dionequinolines
7-chloro-2-methyl-4-(4-methylphenyl)sulfonylthiazolo[5,4-b]indolesulfonamide
6-(2-chloro-1-oxoethyl)-3H-1,3-benzoxazol-2-onebenzoxazole
2,4-dibromo-6-[(3-quinolinylamino)methyl]phenolaminoquinoline
N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamideN-arylpiperazine
1-[2-[(4-chlorophenyl)thio]ethyl]-3-(2-methoxyphenyl)thioureathioureas
1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)thio]ethyl]thioureathioureas
1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl esterindolecarboxamide
2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl esteramidobenzoic acid
2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-onearyl sulfide
(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazinebenzothiazoles
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamidesulfonamide
4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl esterdihydropyridine
cuspin-1cuspin-1: cuspin-1 - Chemical Upregulator of SMN Protein-1; structure in first source
3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-onebenzoxazole
5,6-dimethyl-N-(thiophen-2-ylmethyl)-4-thieno[2,3-d]pyrimidinamineorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanonestilbenoid
4-(dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl esterbenzoate ester
N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamidepiperazines
4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] esterbenzothiazoles
N-(4,5-dihydrothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamidequinolines
3-hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] esternaphthoic acid
4-(2,4-dichlorophenoxy)butanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] esterdichlorobenzene
4-[4-(phenylmethyl)-1-piperidinyl]thieno[2,3-d]pyrimidinepiperidines;
thienopyrimidine
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridinephenylpyridine
2-chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanonearomatic ketone
2,5-difluoro-N-[2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]benzenesulfonamidesulfonamide
2-[(6-chloro-1-benzotriazolyl)oxy]-N-(4-fluorophenyl)acetamidebenzotriazoles
2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrileorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
N-phenyl-5-(propan-2-ylthio)-1,3,4-thiadiazol-2-aminearyl sulfide
5-bromo-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3-pyridinecarboxamidearomatic amide
[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(2-ethoxy-3-pyridinyl)methanonepiperazines
2-methyl-3-[oxo(thiophen-2-yl)methyl]-1-indolizinecarboxaldehydeindolizines
4,5-dimethoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]benzoic acid methyl estermethoxybenzoic acid
2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] estermonocarboxylic acid
2,6-dichloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzenesulfonamidesulfonamide
N-[3-(6-methyl-4-phenyl-2-quinolinyl)phenyl]methanesulfonamidequinolines
4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamidequinazolines
N-[(4-methoxyphenyl)methyl]-2-methyl-4,9-dioxo-3-benzo[f]benzofurancarboxamidenaphthofuran
N-(4-acetylphenyl)-5-[(phenylthio)methyl]-2-furancarboxamidearomatic amide;
furans
N-(4-methoxyphenyl)-5-(phenoxymethyl)-2-furancarboxamidearomatic amide;
furans
3-cyclohexyl-N-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)propanamidearomatic amide
3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-onebenzofurans
(4-tert-butylphenyl)-[2-(4-fluorophenyl)-8-methyl-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]methanoneazaspiro compound
4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamidesulfonamide
4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamidesulfonamide
3-[[2-furanyl(oxo)methyl]amino]-1H-indole-2-carboxylic acid ethyl esterindolyl carboxylic acid
3-[(3,3-dimethyl-1-oxobutyl)amino]-1H-indole-2-carboxylic acid ethyl esterindolyl carboxylic acid
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanonearomatic ether
1-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-3-propylthioureaquinoxaline derivative
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanonequinolines
5-bromo-N-(2-phenylphenyl)-2-furancarboxamidearomatic amide;
furans
2-[2-(1-naphthalenyloxy)ethylthio]pyrimidinenaphthalenes
1-(4-butylphenyl)-3-(4-morpholinyl)thioureamorpholines
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]acetic acid ethyl esteraryl sulfide
1-[3-(4-phenylphenoxy)propyl]-1,2,4-triazolebiphenyls
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamidearomatic amide;
furans
2,5-dimethoxybenzenesulfonic acid (1,3-dioxo-2-isoindolyl) esterphthalimides
2-(2-bromo-4-tert-butylphenoxy)-N-(2-furanylmethyl)acetamidealkylbenzene
1-(4-bromo-2-chlorophenyl)-3-[[oxo(pyridin-4-yl)methyl]amino]thioureapyridinecarboxamide
1-[5-(2-furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanonetriazoles
4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thionetriazoles
1-(4-bromo-2-chlorophenyl)-3-(3-methyl-2-pyridinyl)thioureathioureas
N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamidealkylbenzene
N-(4-methyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamidexanthenes
2-butoxy-7-hydroxy-9-fluorenonefluorenes
N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamidearomatic amide;
furans
1-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)ethyl]ureaureas
3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanonearalkylamine
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)benzamidebenzamides
4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl esterpiperazinecarboxylic acid
8-quinolinecarboxylic acid phenyl esterquinolines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamidedibenzofurans
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamidebenzamides
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehydearomatic ether
3-(2-bromophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoletriazolothiadiazole
N-(4-chlorophenyl)-4-methyl-2-thiazolaminesubstituted aniline
2-(5-bromo-2-furanyl)-6-methyl-3,1-benzoxazin-4-onebenzoxazine
4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl esterdihydropyridine
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl esteraromatic ether;
C-nitro compound
N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-2-furancarboxamidenaphthols
N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2,2-dimethylpropanamidecarbonyl compound;
organohalogen compound
2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl estercoumarins
2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl estercoumarins
4-chloro-N-[(2-methylpropylamino)-sulfanylidenemethyl]benzamidecarbonyl compound;
organohalogen compound
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl esterflavones;
tert-butyl ester
2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl esteramidobenzoic acid
2-(2,4-dichloro-6-methylphenoxy)-N-(2-furanylmethyl)acetamidedichlorobenzene
3,4-dimethyl-N-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]benzamidethioureas
2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamideacetamides
4E2RCatorganic molecular entity
3,4-dimethoxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamidebenzamides
1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-4-methylbenzenemethoxybenzenes
8-[3-(3,4-dimethylphenoxy)propoxy]quinolinequinolines
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trionearomatic ether;
C-nitro compound
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamidebiphenyls
N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]pentanamidefatty amide
5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinaminepyrazolopyrimidine
1-[(7-chloro-4-quinolinyl)amino]-3-(2,4-dichlorophenyl)thioureaorganochlorine compound;
quinolines
3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl esterbenzamides
[[2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]methanethioic acid O-ethyl esteraromatic amide
3-methyl-N,1-diphenyl-4-pyrazolecarbothioamidepyrazoles;
ring assembly
2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-onesulfonamide
1-(2-chlorophenyl)-3-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]thioureabenzimidazoles
1-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxamidepyrazoles;
ring assembly
N2-(4-methylphenyl)benzene-1,2-diamineaminotoluene
2-(1H-benzimidazol-2-ylthio)-N-(2-methoxy-3-dibenzofuranyl)acetamidedibenzofurans
1-[4-(difluoromethylthio)phenyl]-3-(phenylmethyl)thioureathioureas
2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] estermorpholines
N-(5-methyl-3-isoxazolyl)-2-(2-naphthalenylthio)acetamidenaphthalenes
2-[4-(4-chlorophenyl)-2-thiazolyl]ethanethioamidethiazoles
cyclohexanecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] esterpiperidines
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] esteraromatic ether
4-(dimethylamino)benzoic acid [2-(2-methoxyphenyl)-2-oxoethyl] esteraromatic ketone
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamidebenzamides
2-[2-(4-fluoroanilino)-4-thiophen-2-yl-5-thiazolyl]acetic acidthiazoles
4-(1H-indol-3-yl)butanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] esterindoles
2-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-4-thiophen-2-ylthiazolethiazoles
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
2-(2-phenylanilino)-N-(phenylmethyl)acetamidebiphenyls
6-methyl-12-indolo[1,2-c]quinazolinamineorganic heterotetracyclic compound;
organonitrogen heterocyclic compound
2-(4-methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazolemethoxybenzenes
4-hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester4-hydroxybenzoate ester
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamidearomatic amine;
tertiary amino compound
N-(2-phenylethyl)-1,3-benzothiazol-2-aminebenzothiazoles
thiocyanic acid [4-[(2-chloro-1-oxoethyl)amino]-3,5-dimethylphenyl] esteranilide
2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] esterbenzoate ester;
phenols
2-chloro-N-[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]acetamideorganochlorine compound
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamidearomatic amide
3-[(4-chlorophenyl)thio]-1-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-propanonepiperazines
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamideorganonitrogen compound;
organooxygen compound
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl esterbenzoate ester;
phenols
1-(2-chlorophenyl)-3-(3-phenylpropyl)thioureathioureas
4,6,8-trimethyl-1H-quinoline-2-thionequinolines
4-[4-(2,3-Dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-onequinolinesanticoronaviral agent
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
N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamidearomatic amide;
thiophenes
N2-[5-(3-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diaminepyrazoles;
ring assembly
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanonepiperazines
2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-onepyrazoles;
ring assembly
2-chloro-3-pyridinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] esteraromatic ketone
5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1-piperidinyl)thieno[2,3-d]pyrimidinedimethoxybenzene;
thienopyrimidine
2-chloro-N-[(5-chloro-2-thiophenyl)methyl]-N-methylacetamidethiophenes
5-methyl-2-(2-phenylethylamino)-4-thiazolecarboxylic acid ethyl esteraromatic carboxylic acid;
thiazoles
N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamidequinoxaline derivative
[2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanoneN-arylpiperazine
2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamidequinazolines
N-(3,4-dimethoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinaminedimethoxybenzene;
thienopyrimidine
N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamidebenzimidazoles
2-(4-chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazolearyl sulfide
4-(3,4-dimethoxyphenyl)-2-thiophen-2-ylthiazoledimethoxybenzene
3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxaldehydepyrazoles;
ring assembly
N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamidearomatic amide
2-[(3-chlorophenyl)methoxy]-3-methylquinoxalinequinoxaline derivative
2,4-dithiophen-2-ylthiazolethiazoles
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolaminetetrazoles
N,N-diethyl-3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamidetriazoles
1,3-benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] esterbenzothiazoles
5-(3-fluorophenoxy)-8-nitroisoquinolinearomatic ether
N-[(4-fluorophenyl)methyl]-2-[4-[(4-fluorophenyl)-oxomethyl]phenoxy]acetamidebenzophenones
2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl esterbenzamides
N-(5-methyl-2-thiazolyl)cyclopentanecarboxamidearomatic amide
[4-(3-chlorophenyl)-1-piperazinyl]-(2,5-dimethyl-3-furanyl)methanonepiperazines
N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]acetamidebenzodioxine
1-[2-(4-methoxyphenoxy)ethylthio]-[1,2,4]triazolo[3,4-b][1,3]benzothiazoletriazolobenzothiazole
2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanonebenzoxazole
5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl esterthiophenecarboxylic acid
5-nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl estercarboxylic ester
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamidearomatic ether
2-(4-methyl-1-piperidinyl)-N-[2-(phenylthio)phenyl]acetamideamino acid amide
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-3-dibenzofuranyl)acetamidedibenzofurans
phenacylamine monohydrochloride
tacrine hydrochloride
5-chloro-2-mercaptobenzothiazole
benzoylarginine nitroanilide
5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrilesubstituted aniline
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamidenaphthothiazole
N-(4-bromophenyl)-4-(2-methoxyphenyl)-1-piperidinecarbothioamidepiperidines
1-(3-chlorophenyl)biguanide hydrochloride
5-(1-naphthalenylamino)-3H-1,3,4-thiadiazole-2-thionenaphthalenes
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer
capsazepinecapsazepine : A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist.

capsazepine: modified capsaicin molecule; a capsaicin receptor antagonist
benzazepine;
catechols;
monochlorobenzenes;
thioureas
capsaicin receptor antagonist
tamoxifenstilbenoid;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
branigen
Methyl indole-5-carboxylateindolyl carboxylic acid
2-{1-[2-(1-benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl}acetic acid1-benzothiophenes
4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine(trifluoromethyl)benzenes
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
Ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylatepiperazines
N-(4-chlorophenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamidearomatic amide
N'-[(4-chlorophenyl)-oxomethyl]-2-thiophen-2-yl-4-thiazolecarbohydrazidecarbonyl compound;
organohalogen compound
4-[3-(2,4-dichlorophenyl)-5-isoxazolyl]-2-pyrimidinaminedichlorobenzene
N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamideanilide
3-[5-[anilino(oxo)methyl]-2-furanyl]-2-thiophenecarboxylic acid methyl esteraromatic amide;
furans
4-(3-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolaminepyrazoles;
ring assembly
4-(dimethylamino)-3-[(phenylmethoxyamino)methylideneamino]-2-thieno[2,3-b]pyridinecarboxylic acid ethyl esterthienopyridine
4-chlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] esterphenylpyridine
2-[(2-methylphenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazolearyl sulfide
3-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazolepyrazoles;
ring assembly
5-cyano-6-phenoxy-2-phenyl-3-pyridinecarboxylic acid ethyl esterphenylpyridine
4-oxo-2-(trifluoromethyl)-1H-thieno[3,4-b]pyridine-7-carboxylic acid methyl esterthienopyridine
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinaminequinazolines
3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)pyrrole-2,5-dionemaleimides
cgp 74514a
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
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylateethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate : The ethyl ester of 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.ethyl ester;
monochlorobenzenes;
organofluorine compound;
pyrazoles;
sulfonamide
jnj-1661010N-arylpiperazine
5-tert-butyl-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamidearomatic amide
[4-(2-methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanonepiperidines
N'-(3-chloro-4-methylphenyl)-5-isoxazolecarbohydrazidephenylhydrazines
N'-(4-chloro-2-methylphenyl)-4-methyl-5-thiadiazolecarbohydrazidephenylhydrazines
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamidearomatic ether
4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] esterpiperidines
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamidearomatic amide
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamidepiperidines
(2-anilino-4-methyl-1,3-thiazol-5-yl)(4-methoxyphenyl)methanonearomatic ketone
3-oxo-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]butanoic acid ethyl esterpyrimidines
2-(3,4-dimethoxyphenyl)quinoline2-(3,4-dimethoxyphenyl)quinoline: enhances ciprofloxacin activity; structure in first sourcequinolines
N-(2-chlorophenyl)-5-(2-pyridinyl)-2-thiophenecarboxamidearomatic amide
3,3-dimethyl-1-[[9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]thio]-2-butanonequinazolines
1-(3,5-dichlorophenyl)-3-[2-(2-furanylmethylthio)ethyl]ureaureas
2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanolbenzenoid aromatic compound
2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] estermonoterpenoid
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamidearomatic ether;
C-nitro compound
N-[[1,3-dioxo-2-(phenylmethyl)-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-methoxybenzamideisoindoles
N-[(2-chloroanilino)-sulfanylidenemethyl]-2-furancarboxamidethioureas
3-[4-(4-chlorophenyl)-1-piperazinyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dionepiperazines
1-(4-ethoxyphenyl)-3-[methyl-(phenylmethyl)amino]pyrrolidine-2,5-dionepyrrolidines
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholinedialkylarylamine;
tertiary amino compound
3-benzylbenzothiazolium3-benzylbenzothiazolium: RN refers to bromide
1-hexadecyl-3-methylimidazolium bromide1-hexadecyl-3-methylimidazolium bromide: structure in first source
1-(3,5-dichlorophenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dionepyrrolidines
N-[2-(3-methylphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroanilinemorpholines
N-[2-(4-methoxyphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroanilinemorpholines
6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl esterpyrimidinecarboxylic acid
2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenolaromatic compound
4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl esteramidobenzoic acid
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthioureathioureas
[(2S)-1,3-dimethyl-3'-nitro-1'-spiro[cyclohepta[d]imidazol-3-ium-2,4'-cyclohexa-2,5-diene]ylidene]-dioxidoammoniumimidazolines
N-(2-hydroxy-5-methylphenyl)-2-furancarboxamidearomatic amide;
furans
1-[8-chloro-4-(1-naphthalenyl)-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl]ethanonequinolines
1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dionepyrrolidines
LSM-19663quinazolines
2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-onebenzimidazoles
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamidemonoterpenoid
N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamidemonoterpenoid
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-phenylethanonearomatic ketone
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-oneorganonitrogen compound;
organooxygen compound
[4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanonepiperazines
2-[[(1-butyl-2-benzimidazolyl)amino]methyl]phenolbenzimidazoles
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-2-furancarboxamidebenzodioxine
N-cyclohexyl-4-(4-nitrophenyl)-1-piperazinecarbothioamidepiperazines
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamideC-nitro compound
1,3,8-trimethyl-5,10-diphenylpyrimido[1,2]pyrrolo[4,5-b]pyridazine-2,4-dionepyridazines;
ring assembly
4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-oneC-nitro compound
eskazine
N-[1-(4-bromophenyl)ethyl]cyclobutanecarboxamideorganobromine compound
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]acetamidehydroxyquinoline
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]acetamidehydroxyquinoline
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrilemethoxybenzenes;
phenols
5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazoleoxadiazole;
ring assembly
1-azepanyl-[2-(phenylmethyl)-1-benzimidazolyl]methanonebenzimidazoles
6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)-(2-pyridinyl)methyl]-1-methyl-2-sulfanylidene-4-pyrimidinonehydroxypyrimidine
benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] esterbenzenesulfonate ester
N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamidesulfonamide
2,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamidedimethoxybenzene
2-[[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetic acid methyl esteralpha-amino acid ester
2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dioneisoquinolines
4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acidpyrazoles;
ring assembly
4-[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholinepyrazoles;
ring assembly
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acidpyrrolidines
N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1-piperidinecarbothioamidethioureas
4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-oxoethyl]amino]benzoic acid ethyl esteramidobenzoic acid
N-[3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]benzamidebenzodiazepine
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamidearomatic ether
2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acidbenzamides
3-(4-methoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamidemethoxybenzenes
N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamidebenzamides
N-[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamidebenzamides
1-(1,3-benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)ureaureas
N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]propanamidepiperazines
4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamidepiperazines
2-chloro-5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]benzoic acid methyl esteramidobenzoic acid
N-(4,5-dihydrothiazol-2-yl)-3,5-dimethyl-1-adamantanecarboxamidethiazoles
2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl esterphthalate ester
1-[1-(1-adamantyl)butyl]-3-(2-oxolanylmethyl)thioureaoxolanes
2-(1,3-benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]onequinazolines
5-chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinolorganochlorine compound;
quinolines
1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)ureapiperazines
1-(4-morpholinyl)-2-(4-phenylphenoxy)-1-propanonebiphenyls
N-[4-[[4-(4-acetamidoanilino)-6-(4-ethyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamideN-arylpiperazine
[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanonebenzoic acids
1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazoleimidazoles
2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-(2-methoxyphenyl)acetamideindolyl carboxylic acid
cb 7969312organochlorine compound;
quinolines
2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl esterpyrimidines
LSM-18518quinolines
3-methyl-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]benzamidequinolines
4-[(1-ethyl-6-methyl-4-pyrazolo[3,4-b]pyridinyl)oxymethyl]benzonitrilepyrazolopyridine
1-(2-furanyl)-3-(phenylthio)-3-thiophen-2-yl-1-propanonearyl sulfide
2-[[2-(4-ethyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamideimidazolidine-2,4-dione
7-[[[1-(3-methylphenyl)-2-benzimidazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinonebenzimidazoles
1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanonepyrroles
(2,5-dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanonearomatic ketone
5-[4-(1-imidazolyl)phenoxy]-1-phenyltetrazoletetrazoles
2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamidequinoxaline derivative
2-ethoxy-3-pyridinecarboxylic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl esterimidazopyridine
2-(1,3-diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinonepyrazoles;
ring assembly
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamidearomatic amide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methoxy-3-benzofuranyl)-N-methylacetamidebenzodioxine
3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] esterpyrazoles;
ring assembly
2-(4-chloro-2-methylphenoxy)-N-[2-(4-morpholinyl)phenyl]propanamidemorpholines
3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] esterphthalazines
2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) esterquinolines
N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamidesulfonamide
2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dionepyrroles
2-acetylpyridine-(4-phenylthiosemicarbazone)2-acetylpyridine-(4-phenylthiosemicarbazone): structure given in first source
nsc 336628
telaprevircyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
(4As,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidtriterpenoid
4-diphenylacetoxy-n-methylpiperidine methiodide4-DAMP methiodide : A quaternary ammonium salt obtained by combining equimolar amounts of 4-diphenylacetoxy-N-methylpiperidine and iodomethane.iodide salt;
quaternary ammonium salt
cholinergic antagonist;
muscarinic antagonist
1-(4-nitrophenyl)sulfonyl-2-benzimidazolaminesulfonamide
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
p-201-1
monooctanoin1-monooctanoylglycerol : A 1-monoglyceride that has octanoyl as the acyl group.

monooctanoin: dissolution agent for retained cholesterol bile duct stones; RN in Chemline for octanoic acid, ester with 1,2,3-propanetriol, MF unknown: 11140-04-8; RN for octanoic acid, 2,3-dihydroxypropyl ester (1-monooctanoin): 502-54-5; RN in 9th CI Form Index for (+-)-1-monooctanoin: 19670-49-6

rac-1-monooctanoylglycerol : A rac-1-monoacylglycerol comprising equal amounts of 1-octanoyl-sn-glycerol and 3-octanoyl-sn-glycerol.
1-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol
7-deacetylgedunin7-deacetylgedunin : A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica.cyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid
anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite
omephineomephine: do not confuse with omifin, synonym to clomiphene dihydrogen citrate; structure in Negwer, 5th ed, #2964
sf 2370K-252a : A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a

SF 2370: indolocarbazole isolated from Actinomadura sp. SF-2370; structure given in first source
bridged compound;
gamma-lactam;
methyl ester;
organic heterooctacyclic compound
antimicrobial agent;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
tropomyosin-related kinase B receptor antagonist
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source
piribedil
tandutinibaromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vx-745aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine
anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
dasatinibdasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).

N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
ha 1100HA 1100: intracellular calcium antagonist
7-epi-hydroxystaurosporine
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
bradykinin (1-5)bradykinin (1-5): a stable marker of bradykinin production in vivo; a metabolite of bradykinin degradation in plasma
mefexamide
trimethoprim
n-(2-naphthalene)sulfonyl-dl-tryptophan
silybin
9-hydroxyiminofluorene-2,7-disulfonamidefluorenes
N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamideorganonitrogen compound;
organooxygen compound
2-[[2,2,2-trichloro-1-[(2-methyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl esterthiophenecarboxylic acid
3-(4-fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazolepyrazoles;
ring assembly
phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanonearomatic ketone
5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amineC-nitro compound
2-(2-bromophenyl)-2,3-dihydro-1H-perimidinenaphthalenes
2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrileindoles
N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyanilinetriazoles
3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamideC-nitro compound
2-oxo-4-phenyl-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitriletetrahydropyridine
N-(2,5-dimethoxyphenyl)-4-(2,4-dimethyl-5-thiazolyl)-2-thiazolaminedimethoxybenzene
2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl estercoumarins
2-furanyl-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanonefuroic acid
9-chloro-6-methylindolo[3,2-b]quinoxalinequinoxaline derivative
5-methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dioneindoles
3-methyl-1-(3-propan-2-yloxypropylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrilepyridobenzimidazole
2-methyl-N-[1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamidebenzamides
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
9-(2-ethoxy-3-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-onequinolines
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
[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-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinyl)amino]-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamideorganonitrogen compound;
organooxygen compound
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanoneimidazoles
2-[4-[4-(4-fluorophenyl)-2-thiazolyl]-1-piperazinyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanonepiperazines
N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamideindoles
1-(1-tert-butyl-5-tetrazolyl)-N-(phenylmethyl)-1-(3-pyridinyl)-N-(thiophen-2-ylmethyl)methanaminearomatic amine
7-(2-ethyl-1-piperidinyl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidinepyrazoles;
ring assembly
6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinaminequinazolines
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinaminequinazolines
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinaminequinazolines
4-[butan-2-yl-[(3,4-dichloroanilino)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl esterureas
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl esterquinolines
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl esterbenzothiazoles
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acidpeptide
5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamideindoles
2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-(2-furanylmethyl)acetamide1,3-oxazoles
2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrilequinolines
3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thionetriazoles
3,4-dihydro-2H-quinolin-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanonequinolines
4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(3,4-dihydro-2H-quinolin-1-yl)methanonequinolines
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinonearomatic amine;
tertiary amino compound
3-[[oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl esteraromatic amide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamideoxadiazole;
ring assembly
N-[2-(2-ethyl-1-piperidinyl)ethyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamideamino acid amide
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamidethiazoles
1-[[1-(2-methoxyanilino)-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxamideisoquinolines
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanonebenzothiadiazole
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acidpyrazoles
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamidebenzothiadiazole
2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-onequinazolines
N-[3-(cyclohexylthio)propyl]-2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylsulfinyl]acetamide1,3-oxazoles
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)-4-triazolecarboxamidetriazoles
5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamidequinolines
3-[(4-methoxyphenyl)sulfonylamino]-N-(phenylmethyl)propanamideorganonitrogen compound;
organooxygen compound
3,4-dihydro-2H-quinolin-1-yl-[5-(4-methoxyphenyl)-3-isoxazolyl]methanonequinolines
1-[(5-bromo-2-thiophenyl)sulfonyl]-3-methylpiperidinethiophenes
acetic acid [3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] esterbenzoxazine
3-(2,5-dioxo-1-pyrrolidinyl)-N-(5-methyl-3-isoxazolyl)benzamideamidobenzoic acid
2-furancarboxylic acid [4-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester2-furoate ester;
pyranopyrazole
2-(3-phenyl-1-indazolyl)acetic acid methyl esteralpha-amino acid ester
2,5-dimethyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acidorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
thienopyrimidine
N4,N5-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamidearomatic amide
N-[2-(1-cyclohexenyl)ethyl]-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindole-5-sulfonamideindoles
3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamidepyrrolidines
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-oneimidazoles
1-methyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-3-[oxo(1-piperidinyl)methyl]-4-quinolinonearomatic amide;
quinolines
N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinaminepyrimidines
N-(3-methoxyphenyl)-2-(1-methyl-3-indolyl)acetamideindoles
N-[3-(cyclohexylthio)propyl]-1-[(4-methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]-3-piperidinecarboxamideN-acylpiperidine
cyclobutyl-[5-[(2-ethyl-1-piperidinyl)sulfonyl]-2,3-dihydroindol-1-yl]methanoneindoles
8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-onequinolines
cambinolcambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source
2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamidenaphthalenes
N-[(4-chlorophenyl)methyl]-4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinaminearalkylamine
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] esterC-nitro compound;
thiophenes
1-pyrenebutylamine1-pyrenebutylamine: structure in first source
5-hydroxy-2-methyl-4-[1-piperidinyl(3-pyridinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl esternaphthofuran
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanonearyl sulfide
4-(1-azepanyl)-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amineC-nitro compound
5-tert-butyl-3-(phenylmethyl)-1,3,5-thiadiazinane-2-thionethiadiazinane
2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl esterthiophenecarboxylic acid
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamidesulfonamide
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamidetetralins
N4-(3-chlorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamineC-nitro compound
gw 7647GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.

GW 7647: a PPAR-alpha agonist; structure in first source
aryl sulfide;
monocarboxylic acid;
ureas
PPARalpha agonist
N-[4-[2-(2-ethyl-1-oxobutyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamidesulfonamide
N-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)-4-thiazolecarboxamidearomatic amide;
thiazoles
2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzohydrazidetriazoles
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) esterorganonitrogen compound;
organosulfur compound
4-[[7-methyl-4-(phenylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholinearyl sulfide
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamidepiperidines
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamidequinolines
3-(3-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]-1-(3-pyridinylmethyl)thioureathioureas
5-chloro-7-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinolorganochlorine compound;
quinolines
(S)-4',5,7-Trihydroxy-6-prenylflavanoneflavanones
7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehydeazaphilone
3-hydroxyflavanone3-hydroxyflavanone: structure in first source

3'-hydroxyflavanone : A monohydroxyflavanone in which the hydroxy group is located at position 3'.
3'-hydroxyflavanones;
monohydroxyflavanone
metabolite
3-(4-benzoyl-1-piperazinyl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrilepiperazines;
pyridines
1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dionepyrrolidines
1-(4-butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thioureasulfonamide
N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triaminemethoxybenzenes;
substituted aniline
8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thionequinazolines
1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-methylphenyl)thioureathioureas
7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrilediazepine
4-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamidecarbonyl compound;
organohalogen compound
2-phenylbutanoic acid [2-(3,5-dichloroanilino)-2-oxoethyl] esteranilide
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamideC-nitro compound;
thiophenes
2-thiophen-2-yl-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) esterquinolines
N-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1'-cyclohexane]imineimidazolines
2-[4-[(4-chlorophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid methyl esterbenzoxazine
2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] esterbenzimidazoles
5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-oneisoquinolines
2-(1,3-benzothiazol-2-ylthio)-N-[2-hydroxy-5-(4-morpholinylsulfonyl)phenyl]acetamidesulfonamide
6-bromo-1-(dibromomethyl)-5,5-dimethyl-N-(6-methyl-2-pyridinyl)-4-bicyclo[2.1.1]hexanecarboxamidearomatic amide
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
1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(2,4,6-trimethylphenyl)thioureapyrrolidines
1-(phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thioureatetralins
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazoleimidazoles
2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl esteralpha-amino acid ester
3-methyl-2-methylene-1,5-diphenylpentane-1,5-dionearomatic ketone
2-[(4-amino-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetic acidorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-onering assembly;
thiophenes
2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrilearomatic ketone
1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)ureaureas
2-(4-nitrophenyl)-4-thiazolecarboxylic acid ethyl esterC-nitro compound
5-methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidinepyrazoles;
ring assembly
2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridinepyrazoles;
ring assembly
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amineC-nitro compound
1-[(2-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxamidepyridinecarboxamide
4-acetyloxy-3-methoxybenzoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) estermethoxybenzoic acid
3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamideC-nitro compound
N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)acetamidepiperazines
7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinonequinazolines
2-hydroxy-2-pentyl-N'-phenylheptanehydrazidephenylhydrazines
4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide1,4-naphthoquinones
N-[(5-quinolinylamino)-sulfanylidenemethyl]benzamidequinolines
2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-onedimethoxybenzeneanticoronaviral agent
2-(4-phenyl-1-piperazinyl)quinoxalinepiperazines
5-methyl-2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-4-thiazolecarboxylic acid ethyl esterC-nitro compound
2-amino-4-(2-fluorophenyl)-6-(3-pyridinyl)-3-pyridinecarbonitrilebipyridines
3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3h)-quinazolinone3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone: a mitochondrial division inhibitor
N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)-1-naphthalenecarboxamidenaphthalenecarboxamide
5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl esterindolyl carboxylic acid
3-(3,4-dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e-4',3'-f]pyrimidinonepyridopyrimidine
N-[[[(4-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamidecarbonyl compound;
organohalogen compound
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamidebenzenes;
sulfonamide
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
or486OR486: structure given in first source
5-nitro-2-thiophenecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] esterC-nitro compound;
thiophenes
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
1-(2-fluorophenyl)-3-(N-(phenylmethyl)anilino)thioureaphenylhydrazines
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamideindoles
(4-chlorophenyl)-[4-(8-nitro-5-quinolinyl)-1-piperazinyl]methanoneN-arylpiperazine
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamideanthraquinone
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyrazinecarboxamideorganonitrogen compound;
organooxygen compound
butanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] esterazobenzenes
2-(1H-indol-3-yl)-8-methylimidazo[1,2-a]pyridineimidazopyridine
N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamidetetralins
4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-onebenzodiazepine
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thioureaindoles
(5,7-dibromo-2-benzofuranyl)-(3,5-dimethyl-1-piperidinyl)methanonebenzofurans
2-(1,3-benzoxazol-2-ylthio)-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanonebenzoxazole
N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamidepiperazines
2-[(6-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl)thio]-N-(2-phenylethyl)acetamide1-benzopyran
[4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanonepiperazines
(6-bromo-5-methoxy-2-methyl-3-benzofuranyl)-[4-(2-methylphenyl)-1-piperazinyl]methanonepiperazines
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thionebenzenes
4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazoleimidazoles
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamidebenzothiazoles
3-methoxy-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamidebenzothiazoles
1,8-dimethoxyphenazinephenazines
N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-quinazolinylthio)acetamidequinazolines
N,6-dimethyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamidesulfonamide
1-(1-adamantyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanonearyl sulfide
2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamidequinolines
1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thioureacarbazoles
[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
1-pyrrolidinyl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidinyl]methanonepiperidines
N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamidearomatic amide
2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazolebenzimidazoles
5,5,7,7-tetramethyl-2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid methyl esterthienopyridine
N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamidebenzamides
3-acetamido-N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[(4-methylphenyl)thio]benzamidebenzamides
3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4-thiazolidinonedimethoxybenzene
LSM-26445organic heterotricyclic compound;
organooxygen compound
2-[[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazoletriazoles
6-benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinonearomatic ketone
N-(3,5-dichloro-2-pyridinyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamidebenzimidazoles
jhw 015indolecarboxamide
2-[4-(dimethylamino)phenyl]azobenzoic acid [2-(1-azepanyl)-2-oxoethyl] esterazobenzenes
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamidesulfonamide
1-(4-methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanonearomatic ketone
2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butanamideacetamides
5-bromo-N-[2-(2-methyl-1-indolyl)ethyl]-2-furancarboxamideindoles
1-(5-nitro-2-thiophenyl)piperidineC-nitro compound;
thiophenes
N-(1,3-benzodioxol-5-yl)-6-chloro-2-(2-pyridinyl)-3-imidazo[1,2-a]pyridinamineimidazopyridine
3-[(4-bromophenoxy)methyl]benzohydrazidebenzoic acids
5H-phenanthridine-6-thionephenanthridines
2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] esterquinolines
2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl esterthiophenecarboxylic acid
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamineC-nitro compound
1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanoneC-nitro compound
pd 407824
2-[(2-nitro-3-pyridinyl)oxy]-N-[2-(phenylthio)phenyl]acetamidearyl sulfide
2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamidetetralins
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl esteraromatic ether
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] esterbenzoate ester;
phenols
2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanonetoluenesanticoronaviral agent
2-(4-chlorophenoxy)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamidetetralins
4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimineorganochlorine compound
2,5-dichloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophenecarboxamidearomatic amide;
thiophenes
2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2,6-diethylphenyl)acetamidebenzimidazoles
LSM-1925organic heterotricyclic compound;
organooxygen compound
isovitexinC-glycosyl compound;
flavonoids
N-(3-isoxazolyl)-3-nitro-4-(1-piperidinyl)benzamidepiperidines
2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamidearomatic ketone
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitorbenzamides;
benzodioxoles;
imidazoles;
pyridines
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]acetamideimidazolidine-2,4-dione
1-(4-methoxyphenyl)-3-(1-thiophen-2-ylpropan-2-yl)thioureathioureas
2,4-dichloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamidetetralins
2-(3-methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-(3-acetylphenyl)-2-[[6-chloro-3-(2-hydroxypropyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]acetamidearomatic ketone
1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanonepyrroles
N-(5-methyl-3-isoxazolyl)-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamidequinolines
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
2-[4-(difluoromethylthio)anilino]benzoic acid [2-(dimethylamino)-2-oxoethyl] esterbenzoate ester
6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamideisoquinolines
8-nitro-5-[3-(trifluoromethyl)-1-piperidinyl]isoquinolineisoquinolines
N-Cyclopentyl-2-(N-methyl3-chlorobenzenesulfonamido)acetamidesulfonamideanticoronaviral agent
1-(2,4-difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]ureaureas
[[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl esterthiazoles
4-[[[1-oxo-2-[(2-oxo-3-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-1-cyclohexanecarboxylic acidisoflavonoid
1-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[3-(dimethylamino)propyl]thioureaindoles
6-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl esterpyrazoles;
ring assembly
5'-bromo-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]oneorganonitrogen compound;
organooxygen compound
2-(4-benzoyl-1-piperazinyl)-N-(2-phenylphenyl)propanamidebiphenyls
5-[(3-nitro-2-pyridinyl)thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-aminearyl sulfide
LSM-4833quinolines
3-(1-methyl-2-benzimidazolyl)-1-(3-methylphenyl)-2-pyrrolo[3,2-b]quinoxalinaminepyrroles
N-(4-Nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamidearomatic amideanticoronaviral agent
6-(4-methoxyphenyl)-8-methyl-4-oxo-6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylic acid O7-ethyl ester O2-methyl estermethoxybenzenes
5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamineaminopyridine
2-Chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-onepyrazolidinesanticoronaviral agent
1-[[3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-methyl-2-quinolinonequinolines
4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamidethioureas
diclofenac sodiumdiclofenac sodium : The sodium salt of diclofenac.

Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties.
organic sodium salt
cgp 79302,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol: structure in first sourcealkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol : A pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo.phenols;
pyrazoles
estrogen receptor agonist
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamidesulfonamide
(4-chloro-1-ethyl-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanonenaphthalenes
imd 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first sourcebenzamides
4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-onepyrazoles;
ring assembly
2-amino-4-(4-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl esterpyranopyranone
ex 5276-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine.

6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source
carbazoles;
monocarboxylic acid amide;
organochlorine compound
6-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-cyclohexyl-1,2,4,5-tetrazin-3-aminetetrazine
2-[(1-methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanonepiperazines
2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]phenolpiperazines
N-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-2-furancarboxamidearomatic amide;
furans
(3,5-dichloroanilino)thioureadichlorobenzene
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-yleminepyrazolopyrimidinetyrosine kinase inhibitor
4-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thionequinazolines
5,6-dimethyl-1-octyl-4-benzimidazolaminebenzimidazoles
4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamidebenzamides
sib 1757SIB 1757: a selective mGluR5 antagonist; structure in first source
N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]-2-oxo-1-benzopyran-3-carboxamidearomatic amide
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamidebenzamides
N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamidebenzothiazoles
calceolarioside acalceolarioside A: structure given in first source; isolated from Calceolaria hypericina; induces platelet aggregationhydroxycinnamic acid
calceolarioside bcalceorioside B: a cardioprotective agent isolated from Akebia; structure in first sourcehydroxycinnamic acidmetabolite
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
biochanin a4'-methoxyisoflavones;
7-hydroxyisoflavones
antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
prostaglandin b1prostaglandin B1 : A member of the class of prostaglandins B that is prosta-8(12),13-dien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 13E,15S-stereoisomer).

prostaglandin Bx: phospholipase A2 inhibitor; polymeric derivative of diketo-PGB1; mean MW 2,200
prostaglandins Bhuman metabolite
acacetin5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin.dihydroxyflavone;
monomethoxyflavone
anticonvulsant;
plant 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
bryostatin 1acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol
alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist
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
harmineharmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.

Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
rescinnaminerescinnamine: was heading 1966-94 (see under RESERPINE 1966-90); use RESERPINE to search RESCINNAMINE 1966-94indole alkaloid;
methyl ester;
organic heteropentacyclic compound
antihypertensive agent
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
montelukastmontelukast: a leukotriene D4 receptor antagonistaliphatic sulfide;
monocarboxylic acid;
quinolines
anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
timolol maleate(S)-timolol maleate : The maleic acid salt of the active (S)-enantiomer of timolol, comprising equimolar amounts of (S)-timolol and maleic acid.maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
sulfuretinsulfuretin: the chalcone C ring closes into a 5 instead of the more typical 6 membered ring leaving a phenyl methane at the 2 position instead of the typical phenyl1-benzofurans
kavain2-pyranones;
aromatic ether
zearalenonezearalenone : A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species.

Zearalenone: (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes.
macrolide;
resorcinols
fungal metabolite;
mycoestrogen
baicaleintrihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
gentiacauleingentiacaulein : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2 and 8 and methoxy groups at positions 1 and 6.

gentiacaulein: structure in first source
aromatic ether;
polyphenol;
xanthones
plant metabolite
morusinmorusin : An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8.

morusin: from Morus root bark; structure given in first source
extended flavonoid;
trihydroxyflavone
antineoplastic agent;
plant metabolite
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
quercetagetinquercetagetin : A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3' and 4' respectively.

quercetagetin: structure given in first source; inhibits aldose reductase in rat lens
flavonols;
hexahydroxyflavone
antioxidant;
antiviral agent;
plant metabolite
robinetinrobinetin : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4' and 5'.

robinetin: structure given in first source
7-hydroxyflavonol;
pentahydroxyflavone
plant metabolite
trans-2,3',4,5'-tetrahydroxystilbenetrans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrolstilbenoid
pterostilbenediether;
methoxybenzenes;
stilbenol
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
forsythiasideforsythiaside: RN given refers to (E)-isomer; structure given in first source; from the unripe fruit of Forsythia suspensa (qinglianquiao)hydroxycinnamic 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
acteosideacteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid.

acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae)
catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol
anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
Licarin Abenzofurans
rottlerinrottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.

rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone
anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
ellagic 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
savininsavinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2.

savinin: a lignan from Pterocarpus santalinus inhibits tumor necrosis factor-alpha production and T cell proliferation; structure in first source
benzodioxoles;
gamma-lactone;
lignan
anti-inflammatory agent;
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite;
T-cell proliferation inhibitor
n-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
trimipramine maleatemaleate saltantidepressant
4-hydroxyestradiol4-hydroxy-17beta-estradiol : A 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4.

4-hydroxyestradiol: catechol estrogen
4-hydroxy steroidmetabolite
isotretinoinisotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.

Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
irsogladinedichlorobenzene
terbinafine hydrochlorideterbinafine hydrochloride : A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride.allylamine antifungal drug;
hydrochloride
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor
n-oleoylethanolamineN-oleoylethanolamine: ceramidase inhibitor

oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide.
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1
EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
camostat mesylatemethanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
acitretinacitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.

Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate.
acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid
keratolytic drug
ethisteroneethisterone : A 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol.

Ethisterone: 17 alpha-Hydroxypregn-4-en-20-yn-3-one. A synthetic steroid hormone with progestational effects.
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol
drug metabolite;
progestin
nalmefenenalmefene: RN given refers to 5-alpha isomermorphinane alkaloid
sirolimussirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.

Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol
antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
trospium chloridetrospium chloride : An organic chloride salt of trospium. It is an antispasmodic drug used for the treatment of overactive bladder.
genistinacrovestone;
isoflavonoid
ophiocordinazepinostatin: isolated from Fusarium merismoides; structure in first source; RN assigned by CAS - 63590-19-2 (ophiocordin; azepinostatin is not the same as ophiocordin)
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
3-[(5-chloro-2-pyridinyl)amino]-2-(2-pyridinyl)-3H-isoindol-1-oneisoindoles
2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-1-(4-ethyl-1-piperazinyl)ethanone1,3-oxazoles
1,5-dimethyl-4-oxo-N-[2-(3-thiophenyl)ethyl]-2-pyrrolo[3,2-c]quinolinecarboxamidepyrroloquinoline
3-(4-chlorophenyl)-1-methyl-N-[(5-methyl-2-furanyl)methyl]-5-thieno[2,3-c]pyrazolecarboxamidepyrazoles;
ring assembly
3-[[2-(2-furanylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl esterisoindoles
3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanoneisoquinolines
2-[[oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl esteraromatic amide
[4-(3-methoxyphenyl)-1-piperazinyl]-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]methanonepiperazines
2-[6-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl esteralpha-amino acid ester
5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamideoxadiazole;
ring assembly
2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3H-isoindol-1-oneisoindoles
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamidearomatic amide
4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl esteramidobenzoic acid
N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamidepiperidines
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrazinaminebenzodioxoles
3-(2-ethoxyanilino)-2-(2-furanylmethyl)-3H-isoindol-1-oneisoindoles
N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamidepyrimidone;
sulfonamide
2-[[cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamidearomatic amide;
thiophenes
1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamidesulfonamide
6-methyl-3-(prop-2-enylthio)-5H-[1,2,4]triazino[5,6-b]indoletriazinoindole
3-(3,5-dimethyl-1-pyrazolyl)-5-phenyl-1,2,4-triazine1,2,4-triazines
esomeprazole magnesiumbenzimidazoles;
sulfoxide
l 7458703-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first sourcepiperazines
su 6656SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source

SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.
8-geranyloxypsoralenterpene lactone
muromonab-cd3cudraflavone B : An extended flavonoid that consists of a pyranochromane skeleton that is 2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups at position 2, a 2,4-dihydroxyphenyl group at position 8, a hydroxy group at position 5 and a prenyl group at position 7. Isolated from Morus alba and Morus species it exhibits anti-inflammatory activity.

cudraflavone B: antiproliferative from Cudrania tricuspidata
extended flavonoid;
pyranochromane;
trihydroxyflavone
anti-inflammatory agent;
plant metabolite
nigakinonenigakinone: an NSAID that may be useful in treating ulcerative colitis; structure in first sourcebeta-carbolines
Piperaninebenzodioxoles
piperlongumininepiperlonguminine: from Piper longum; structure in first sourcebenzodioxoles
Squamatic acidcarbonyl compound
1-(4-(6-bromobenzo(1,3)dioxol-5-yl)-3a,4,5,9b-tetrahydro-3h-cyclopenta(c)quinolin-8-yl)ethanone1-(4-(6-bromobenzo(1,3)dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinolin-8-yl)ethanone: G-1 was able to induce both c-fos expression and proliferation in the ERalpha-negative/GPR30-positive SKBR3 breast cancer cells, the requirement for ERalpha expression in GPR30/EGFR signaling may depend on the specific cellular context of different tumor typesagonist
furazolidone
3,5-dimethoxycinnamic acid3,5-dimethoxycinnamic acid: RN given refers to cpd without isomeric designation
arcyriaflavin aarcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first sourceindolocarbazole
pd 161570PD 161570: structure in first source
tyrphostin ag-494AG 494: tyrphostin that blocks Cdk2 activation; structure in first source
ag-490catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide
anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor
bosutinib4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first sourceaminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
semaxinibsemaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.olefinic compound;
oxindoles;
pyrroles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
orantiniborantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.

orantinib: an antiangiogenic agent
su 11248monocarboxylic acid amide;
pyrroles
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
palbociclibaminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
d-64406D-64406: structure in first sourceindolyl carboxylic acid
jnj-7706621sulfonamide
2'-hydroxy-4-methoxychalcone
oxiconazoleoxiconazole : An oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections.

oxiconazole: RN given refers to parent cpd(Z)-isomer; structure given in first source
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
oxime O-ether
antiinfective agent
rg 13022RG 13022: structure given in first source
Isoliquiritigenin 4,4'-dimethyl etherchalcones
4-amino-6,7-diphenyl-3H-pteridine-2-thionepteridines
nomifensine maleate
kavainracemateglycine receptor antagonist
urolithin burolithin B: has antiproliferative activity; structure in first sourcecoumarins
3,4',5-trimethoxystilbene3,4',5-trimethoxystilbene: structure in first source
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-oneisoflavones
3-(dimethylamino)-1-phenylprop-2-en-1-onecarbonyl compound
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acidpeptide
n-methylscopolamine bromidescopolamine methobromide : A quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide.
thunberginol bthunberginol B: isolated from Hydrangeae dulcis folium; structure given in first source
pepstatinpepstatin: inhibits the aspartic protease endothiapepsinpentapeptide;
secondary carboxamide
bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
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
semilicoisoflavone bsemilicoisoflavone B : A member of the class of 7-hydroxyisoflavones that is 2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one substituted by hydroxy groups at positions 5, 7 and 8'. It has been isolated from Glycyrrhiza uralensis.

semilicoisoflavone B: isolated from Glycyrrhiza uralensis; structure in first source
7-hydroxyisoflavonesEC 1.1.1.21 (aldehyde reductase) inhibitor;
plant metabolite
morusinolmorusinol: extracted from Morus alba inhibits arterial thrombosis and modulates platelet activation for the treatment of cardiovascular disease; structure in first sourceflavones
tiotropium bromidetiotropium bromide : An organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.

Tiotropium Bromide: A scopolamine derivative and CHOLINERGIC ANTAGONIST that functions as a BRONCHODILATOR AGENT. It is used in the treatment of CHRONIC OBSTRUCTIVE PULMONARY DISEASE.
tiotropiumtiotropium : A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one : An organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively.

2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one: a janus-activated kinase inhibitor
organic heterotetracyclic compound;
organofluorine compound
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
vx680N-arylpiperazine
otamixabanotamixaban: structure in first source
[(10R,13S,17R)-17-Ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetatesteroid ester
mephentermine sulfate
methylbenzethonium chloridealkylbenzene
quinaldine redquinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure
2',3,4-trihydroxychalcone2',3,4-trihydroxychalcone: structure given in first sourcecatechols;
chalcones
Crotaoprostrinchalcones
3,3'-diethylthiacarbocyanine iodidebenzothiazoles;
cyanine dye
fluorochrome
chloride of pseudoisocyanine1,1'-diethyl-2,2'-cyanine halide;
organic chloride salt
5233705 compound
nifuratronenifuratrone: structure
gw-5074
piriqualonepiriqualone: structure
metochalconemetochalcone: structure
5-(2-methylphenyl)-N-(phenylmethyl)-2-furancarboxamidearomatic amide;
heteroarene
alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrilenitrile
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-oneorganic heterobicyclic compound;
organonitrogen heterocyclic compound
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
5-methoxy-3,6-diphenyl-1,2,4-triazinearomatic ether
3-amino-5-(4-bromophenyl)-4-pyridazinecarbonitrilepyridazines;
ring assembly
hesperidinflavonoids;
glycoside
homatropine hydrobromide, (endo-(+-)-isomer)
Adenosine 5'-monophosphate monohydratepurine ribonucleoside monophosphate
cyc 1164-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source
mg 624triethyl-(beta-4-stilbenoxyethyl)ammonium: inhibits alpha7 nicotinic receptors; structure in first source
sclerotiorinsclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first sourceazaphilone
columbianadincolumbianadin : An alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol.

columbianadin: furanocoumarin isolated from Peucedanum palustre; RN given refers to columbianadin, (S-(Z))-isomer
alpha,beta-unsaturated carboxylic ester;
furanocoumarin
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
himbacinehimbacine : A piperidine alkaloid that is decahydronaphtho[2,3-c]furan-1(3H)-one substituted by a methyl group at position 3 and a 2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl group at position 4. It has been isolated from the bark of Australian magnolias.

himbacine: muscarine receptor antagonist; RN given refers to (3S-(3alpha,3aalpha,4beta(1E,2(2R*,6S*)),4abeta,8aalpha,9aalpha))-isomer; structure given in first source
gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid
muscarinic antagonist
n-(2-hydroxyethyl)retinamideN-(2-hydroxyethyl)retinamide: RN given refers to cpd without isomeric designation
chaetoglobosin Acytochalasan alkaloid;
epoxide;
indoles;
macrocycle;
secondary alpha-hydroxy ketone
Chaetomium metabolite
4-hydroxyderricin4-hydroxyderricin: from Angelica keiskei; RN given refers to (E)-isomer; structure in first sourcechalcones
o-geranylsinapyl alcoholO-geranylsinapyl alcohol: structure given in first source; isolated from the bark of Fagara rhetza, an Indonesian medicinal plant
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
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
ekb 569EKB 569: an EGF receptor kinase inhibitoraminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile
protein kinase inhibitor
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2-methylphenoxy)acetamidepiperazines
1-(3-methoxyphenyl)-3-[2-(methylthio)phenyl]ureaureas
desmosdumotin cdesmosdumotin C: an antitumor agent; structure in first sourceolefinic compound
2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxylic acidquinolines
fm1 43FM1 43: labels motor nerve terminals in an activity-dependent fashion that involves dye uptake by synaptic vesicles that are recycling; structure given in second sourceorganic bromide salt;
pyridinium salt;
quaternary ammonium salt;
tertiary amine
fluorochrome
a 419259
fluphenazine
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
l-1650414-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function.aromatic ketone
cycloheximidepiperidones
N-(5-carbamoyl-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamidearomatic amide
2-[[6-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acidacridines
[4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-(1-piperidinyl)methanoneN-acylpiperidine
6-ethyl-8-methyl-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamidedibenzothiazepine
8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamidedibenzothiazepine
5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl esterbenzothiazoles
6-bromo-2-(1-pyrrolidinyl)-1,3-benzothiazolebenzothiazoles
N-(4-ethylphenyl)-3-(1-pyrrolyl)propanamideanilide
(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-(4-oxo-1-benzopyran-3-yl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl esterchromones
cgp 533534,5-bis(4-fluoroanilino)phthalimide: structure in first sourcephthalimides
estradiol 17-acetatesteroid ester
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
napsagatrannapsagatran: structure given in first source
temsirolimusmacrolide lactam
nps2143
pd 1843522-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first sourceaminobenzoic acid
talabostattalabostat: an antineoplastic agent; structure in first source
pep0053-ingenyl angelate: protein kinase C agonist and antineoplastic; structure in first source
on 01910N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine : A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group.

ON 01910: a Plk1 inhibitor with antineoplastic activity; structure in first source

rigosertib : An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties.
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycineantineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent
corosolic acidtriterpenoidmetabolite
panobinostatpanobinostat : A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma.

Panobinostat: An indole and hydroxamic acid derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used as an antineoplastic agent in combination with BORTEZOMIB and DEXAMETHASONE for the treatment of MULTIPLE MYELOMA.
cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound
angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
6-fluoro-N-phenyl-1,3-benzothiazol-2-aminebenzothiazoles
2-chloro-N-[3-(2-thiazolo[5,4-b]pyridinyl)phenyl]-3-pyridinecarboxamidearomatic amide
13-epi-sclareol13-epi-sclareol: an unusual labdane diterpene from the roots of Coleus forskohlii with cell growth inhibitory action in breast and uterine cancers in vitro; structure in first source
3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-onebenzofurans
6-(3-bromophenyl)-2-methyl-3-pyridinecarboxylic acidphenylpyridine
7-[(3-chlorophenyl)methylthio]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-onearyl sulfide
3-[(3-fluorophenyl)methylthio]-6-(2-furanyl)pyridazinearyl sulfide
5-Chloro-3-pyridinyl 2-furoatecarboxylic esteranticoronaviral agent
cinnamaldehyde thiosemicarbazonecinnamaldehyde thiosemicarbazone: has antimicrobial activity; structure in first source
6-(4-bromophenyl)-2-methyl-3-pyridinecarboxylic acidphenylpyridine
5-(1-phenyl-5-tetrazolyl)-2-pyridin-4-yl-4-thiophen-2-ylpyrimidineorganonitrogen heterocyclic compound
4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenolimidazoles
2-[(1R,3S)-3-(7-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]acetonitrileindoles
(11S,14S)-Cyclo-(L-Trp-L-Phe)indolesAspergillus metabolite
6-(4-ethylphenyl)-3-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazinepyridazines;
ring assembly
2-bromo-N-(phenylmethyl)benzenesulfonamidesulfonamide
1-(3-ethylphenyl)-3-(1-naphthalenyl)thioureanaphthalenes
2-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]ethanaminesulfonamide
N-[2-(4-methoxyphenyl)ethyl]-2-quinoxalinecarboxamidequinoxaline derivative
a 770041aromatic amide
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamineimidazoles
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamidearomatic amide;
thiophenes
1-(3,4-dimethylphenyl)-2,5-dioxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarbonitrilepyridopyrimidine
4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamidearomatic amide
1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-(1-methyl-3-indolyl)ethanonepiperazines
chlorhexidinechlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.

Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.
biguanides;
monochlorobenzenes
antibacterial agent;
antiinfective agent
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.
sabcomelinesabcomeline: selective for M1 receptors; RN refers to (R,S)-isomer; structure in first sourcequinuclidines
lassbio 294
jnj 10198409
(R)-fluoxetine hydrochloride(R)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (R)-fluoxetine with one equivalent of hydrochloric acid.hydrochlorideantidepressant;
serotonin uptake inhibitor
bms-262084BMS-262084: an azetidinone-based tryptase inhibitor; structure in first source
av 412
ym 60828YM 60828: YM-466 is the mesylate salt
telatinib
edotecarin
y-39983Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first sourcepyrrolopyridine
cp 5476323-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source
bms3455414(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first sourcequinoxaline derivative
pd 144418
lenvatiniblenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine.aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist
pd 0325901mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor

PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).
difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound
antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
midostaurinmidostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
fursultiamin monohydrochlorideorganic molecular entity
px-866PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine.

PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source
acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
desmethylselegiline hydrochloride
sb 242235SB 242235: p38 MAP kinase antagonist
ripasudilisoquinolines
4-(3-(1-adamantyl)-4-hydroxyphenyl)-3-chlorocinnamic acid
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
ki 20227
scio-469SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004

talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties.
aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
cp 7247142-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent
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
dimethisoquin hydrochloride
pi103PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first sorucearomatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
ro-28-1675acetamides
hmn-214(E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source
ct52923CT52923: structure in first source
n-alpha-(2,4,6-triisopropyl-phenylsulfonyl)-3-amidino-(l)-phenyl-alanine-4-ethoxycarbonyl-piperazide hydrochloride
dpc 423
u 74389g
y 27632, dihydrochloride, (4(r)-trans)-isomer
2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide: an IKK-2 kinase inhibitor; structure in first sourcearomatic amide;
thiophenes
gw 813893
tivozanibN-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first sourcearomatic ether
l 374087
darexaban
lb 30057
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
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
ym-254890YM-254890: structure in first source
tofacitinibtofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound
antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ac 2605844-(3-(4-butylpiperidin-1-yl)propyl)-7-fluoro-4H-benzo(1,4)oxazin-3-one: structure in first source
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
cediranibaromatic ether
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride
ps1145PS1145: IkappaB kinase inhibitor; structure in first sourcebeta-carbolines
bryostatin 10bryostatin 10: isolated from Bugula neritina; structure in first source
ly2090314LY-2090314 : A member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer.diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
pimaric acid
ly-2157299LY-2157299 : A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma.

LY-2157299: an orally active transforming growth factor beta receptor (TGF-beraR) kinase inhibitor
aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines
antineoplastic agent;
TGFbeta receptor antagonist
tert-butyl peroxybenzoate
pazopanibpazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.

pazopanib: a protein kinase inhibitor
aminopyrimidine;
indazoles;
sulfonamide
angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
azd 6244AZD 6244: a MEK inhibitorbenzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
su 148135-((5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide: has both antineoplastic and antiangiogenic activities; structure in first source
emergil
darexaban glucuronidedarexaban glucuronide: structure in first source
apixabanaromatic ether;
lactam;
piperidones;
pyrazolopyridine
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
bibw 2992aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
77-lh-28-177-LH-28-1: a CNS penetrant, selective M1 muscarinic receptor agonist, structure in first source
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
binimetinibbinimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib.benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sotrastaurinsotrastaurin : A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients.

sotrastaurin: a potent protein kinase C-selective inhibitor; structure in first source
indoles;
maleimides;
N-alkylpiperazine;
N-arylpiperazine;
quinazolines
anticoronaviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunosuppressive agent
aee 788AEE 788: structure in first source6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
saracatinibaromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
rpr 120844
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-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
vx 702VX 702: a p38 MAP kinase inhibitorphenylpyridine
ronacaleretronacaleret: a calcium-sensing receptor antagonist; structure in first source
ws-5995 cWS-5995 C: structure in first sourcebenzenes;
naphthalenes;
ring assembly
(z,z)-babch
crenolanibaminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
batefenterolbatefenterol: a bronchodilator
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer
macelignanmacelignan: an NSAID with antioxidant, free radical scavenging, and neuroprotective activities; structure in first sourcelignan
biapigeninbiapigenin: bis-apigenin coupled at 3' & 3' positions; inhibits various cytochrome P450 enzymes; isolated from St. John's Wortflavonoid oligomer
anabaenopeptin banabaenopeptin B: from cyanobacteria Planktothrix (Oscillatoria) rubescens
meridianin ameridianin A: structure in first source
tg100-1153,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first sourcepteridines
cc 401CC 401: an anthrapyrazolonepyrazoles;
ring assembly
piragliatinpiragliatin: glucokinase activator
bms 599626
dysinosin adysinosin A: structure in first source
exel-7647tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties.
volasertibBI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source
pha 665752dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide
antineoplastic agent;
c-Met tyrosine kinase inhibitor
PB28PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.aromatic ether;
piperazines;
tetralins
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
l 783277
Sphaeropsidin Ctricyclic diterpenoidmetabolite
bryostatin 16bryostatin 16: from Bugula neritina; structure given in first source
ly 338522LY 338522: des-methyl metabolite of LY333531; structure in first source
PDGF receptor tyrosine kinase inhibitor IIIPDGF receptor tyrosine kinase inhibitor III : An N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a (4-phenoxyphenyl)aminocarbonyl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a 6,7-dimethoxyquinazolin-4-yl group. It is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT.aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ucn 1028 ccalphostin C: structure given in first source; isolated from Cladosporium cladosporioides
5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-oneextended flavonoid
tafamidistafamidis : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole-6-carboxylic acid in which the hydrogen at position 2 is replaced by a 3,5-dichlorophenyl group. Used (as its meglumine salt) for the amelioration of transthyretin-related hereditary amyloidosis.

tafamidis: may be effective in treating transthyretin amyloid polyneuropathy
1,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid
central nervous system drug
2-(4-methoxyphenyl)-1,2-benzothiazol-3-onebenzothiazoles
Lyngbic acidlyngbic acid: coral secondary metabolitelong-chain fatty acidmetabolite
(2s,3r,5r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-onesteroid
azd 7762aromatic amide;
thiophenes
regorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide
antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
calpain inhibitor iiicalpain inhibitor III: potential anticataract drug
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
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
brivanibaromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
amd 070mavorixafor: a derivative of AMD3100; a CXCR4 blockeraminoquinoline
mp470N-arylpiperazine
rgb 286638
Xanthoangelol Dchalcones
np 031112tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy.

tideglusib: an NSAID and neuroprotective agent
benzenes;
naphthalenes;
thiadiazolidine
anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
at 75194-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine.dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
bms-690514
bi 2536
inno-406biaryl
nvp-ast487NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells
kw 2449KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source
naluzotannaluzotan: an antidepressant and anti-anxiety agent; structure in first source
tiotropium bromidetiotropium bromide hydrate : A hydrate that is the monohydrate form of tiotropium bromide. Used for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
danusertibpiperazines
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamidebenzamides
10-isobutyryloxy-8,9-epoxythymol isobutyrate10-isobutyryloxy-8,9-epoxythymol isobutyrate: structure in first sourcebenzoate ester;
phenols
nvp-aew541
abt 869aromatic amine;
indazoles;
phenylureas
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
azd 8931sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3.aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
arq 197indoles
azd 1152AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
Aurora kinase inhibitor;
prodrug
pf 00299804dacomitinib : A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group.

dacomitinib: a pan-ERBB inhibitor
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
aclidinium bromideaclidinium bromide : A quaternary ammonium salt that is the bromide salt of aclidinium. A muscarinic acetylcholine M3 receptor antagonist, for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD).

aclidinium bromide: a long-acting, inhaled antimuscarinic; in phase I trial 8/2008
organic bromide salt;
quaternary ammonium salt
bronchodilator agent;
muscarinic antagonist
ridaforolimusmacrolide lactam
5-hydroxy-2-(2-phenylethyl)chromone5-hydroxy-2-(2-phenylethyl)chromone: neuroprotective compound from rhizomes of Imperata cylindrica; structure in first source
quisinostatindoles
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
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
cortistatin acortistatin A : A member of the class of cortistatins that is substituted by hydroxy groups at positions 1 and 2, a dimethylamino group at the 3alpha position and an isoquinolin-7-yl group at the 17 position, with double bonds at the 9-11 and 10-19 positions (the 1R,2R,17beta enantiomer).

cortistatin A: structure in first source
cortistatins;
diol;
secondary alcohol
mk-0893
gw9508GW9508: structure in first sourcearomatic amine
cc-930
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine : A pyrazolylpiperidine that consists of 4-(pyrazol-1-yl)piperidine carrying a 2-amino-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-5-yl group at the 4-position of the pyrazole ring.

rac-crizotinib : A racemate comprising equimolar amounts of (R)- and (S)-crizotinib. The active (R)-enantiomer acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer.
aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate
antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
gw 25805-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source
tak 285N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide: also inhibits HER2; structure in first source
idelalisibidelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.

idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
crizotinibcrizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC)

Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER.
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamideVx-11e: ERK1-2 inhibitoraromatic amide;
heteroarene
osi 906cyclobutanes;
quinolines
chir-265aromatic ether
motesanibpyridinecarboxamide
fostamatinibfostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406
chromazonarol
trametinibacetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
mln8054benzazepine
pf-562,271indoles
pha 767491PHA 767491: a Cdc7 inhibitor; structure in first sourcepyrrolopyridine
GDC-0879indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines
antineoplastic agent;
B-Raf inhibitor
td-4208revefenacin: structure in first source
2-(4-butan-2-ylanilino)-3-pyridinecarbonitrilealkylbenzene
N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) esterpiperazines
N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl)methyl]-4-methylbenzenesulfonamideorganonitrogen compound;
organooxygen compound
jnj-26483327JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010
ly2603618ureas
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolaminepyrazoles;
ring assembly
6-fluoronorepinephrine monohydrochloride, (+-)-isomer
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
Dihydro-beta-erythroidine hydrobromideindoles
efaroxan hydrochloride
alpha-methyltyrosine methyl ester, monohydrochloride
2-methoxyidazoxan hydrochloride
sk&f 77434N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide : A hydrobromide salt prepared from N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.hydrobromidedopamine agonist;
prodrug
N-[5-[2-(4-chloroanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-furancarboxamidethiazoles
scopolamine hydrobromide
tg100801
dactolisibdactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment.

dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
bgt226BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor.

BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-2,4-dioxobutanamidearomatic ketone
1-(4-fluorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thioureaorganonitrogen compound;
organooxygen compound
1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thioureaorganonitrogen compound;
organooxygen compound
1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thioureaorganonitrogen compound;
organooxygen compound
2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl esterbenzoate ester
4-methoxybenzoic acid [2-(4-bromophenyl)-4-oxo-3-quinazolinyl] estermethoxybenzoic acid
5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamidenaphthalenecarboxamide
[9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanonearomatic ketone;
quinolines
chlorhexidine hydrochloride
helicidehelicide: structure given in first sourceglycoside
2-(3-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
4-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamidesulfonamide
FR900359FR900359: G-protein inhibitor from Ardisia crenata sims that shows inhibition of platelet aggregation and decrease of blood pressurecyclodepsipeptide
2',3'-dihydroxy-4',6'-dimethoxychalcone2',3'-dihydroxy-4',6'-dimethoxychalcone: from the leaves of green perilla (Perilla frutescens var. crispa f. viridis); structure in first source
dehydrocurvularinmacrolide
hypocrellin ahypocrellin A: isolated from fungus Hypocrella bambusae sacc
4-methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl estermethoxybenzoic acid
malyngamide Adicarboximidemetabolite
3,6-diamino-10-methylacridinium chloride hydrochloride3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride.hydrochlorideantibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamideC-nitro compound
3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamidepyrazoles;
ring assembly
gsk 461364GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1(trifluoromethyl)benzenes
3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamidequinazolines
azd 1152-hqpaAZD2811: has antineoplastic activity; structure in first sourceanilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
Aurora kinase inhibitor
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(phenylmethyl)propanamidepyrazoles;
ring assembly
5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamidepyrimidinecarboxamide
5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamidepyrimidinecarboxamide
CDN1163CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA).

CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source
aromatic ether;
quinolines;
secondary carboxamide
SERCA activator
4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(phenylmethyl)butanamidebenzoxazine
[4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]methanonepiperazines
nvp-tae684piperidines
a 803467A 803467: an Nav1.8 sodium channel blocker; structure in first source
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
3-[2-(4-fluorophenyl)-5-tetrazolyl]-2-methoxypyridinetetrazoles
mf63 compoundMF63 compound: a phenanthrene imidazole identified as a potent, selective, and orally active mPGES-1 inhibitor; structure in first source
e 7050aromatic ether
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
alamethicinAlamethicin: A cyclic nonadecapeptide antibiotic that can act as an ionophore and is produced by strains of Trichoderma viride. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)
[1-(2-benzofuranylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanolpiperidines
N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamideorganonitrogen compound;
organooxygen compound
2-[(2-chloro-4-nitroanilino)methyl]-6-methoxyphenolaromatic amine
(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester1-benzothiophenes
(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) esterleucine derivative
(2R,4S)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamidebenzyl alcohols
gdc-0973cobimetinib : A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma.

cobimetinib: has antineoplastic activity; structure in first source
aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
[5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanonearomatic carboxylic acid;
pyridinemonocarboxylic acid
buparlisibNVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first sourceaminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
azd 1480
azd8330pyridinecarboxamide
thimerosalthimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent.

Thimerosal: An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate.
alkylmercury compoundantifungal drug;
antiseptic drug;
disinfectant;
drug allergen
pha 848125N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor
ro5126766CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3.

RO5126766: a dual MEK/RAF kinase inhibitor
aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
tg101209N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
fedratinibfedratinib: a selective small-molecule inhibitor of JAK2sulfonamide
gsk6906931,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
sp 2033-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile: a radioligand for mGlu5 receptor; structure in first source
ipratropium bromideipratropium bromide hydrate : The monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma.
14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source
(3S,4aR,6aR,6bR,8aS,11S,12aS,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,14-dioltriterpenoid
N-[3-[2-(4-chloroanilino)-4-thiazolyl]phenyl]-3-(trifluoromethyl)benzamidebenzamides
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-thiazolecarboxamidebenzamides
3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamidequinazolines
(2R,4S)-6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diolbenzyl ether
3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanonediarylmethane
(3R)-7-phenyl-2-(phenylmethyl)-3-[4-(trifluoromethyl)phenyl]-3a,6,7,7a-tetrahydro-3H-isoindol-1-onepyrrolidines
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanonemethoxybenzenes;
phenols
(3R,3aS,7R,7aS)-7-methyl-3-(2-naphthalenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-onepyrrolidines
N4-(4-methoxyphenyl)-N5-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamidearomatic amide
azd5438sulfonamide
2-[(1R)-1-carboxy-2-(1-naphthalenyl)ethyl]-1,3-dioxo-5-isoindolecarboxylic acidphthalimides
N'-[(2-methoxyphenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazidebenzoic acids
N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamideisoquinolines
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-methoxy-isatinbenzodioxineanticoronaviral agent
pf 04217903quinolines
3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrilepyrrolopyrimidine
gdc 0941pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
6-(3,5-dimethyl-4-isoxazolyl)-N-[(2-ethoxyphenyl)methyl]-4-quinazolinaminequinazolines
amorfrutin aamorfrutin A: an antidiabetic agent that inhibits NF-kappaB activation; structure in first sourcestilbenoid
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamidebenzothiazine
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamidebenzothiazoles
icotinib
ph 797804PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.

PH 797804: an NSAID; structure in first source
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
5-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
2-(2-fluorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
2-(4-fluorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
kx-01
4'-epichaetoviridin A4'-epichaetoviridin A : An azaphilone that is the 4'-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum.azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol
Chaetomium metabolite
potassium aminobenzoate
meclofenamate sodium anhydroussodium meclofenamate monohydrate : A hydrate that is the monohydrate of the sodium salt of meclofenamic acid. It is used for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.hydrateanalgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
cefmetazole sodiumcefmetazole sodium : An organic sodium salt that is the sodium salt of cefmetazole.organic sodium saltantimicrobial agent
cefoxitin sodiumorganic molecular entity
cyclic amp, monosodium salt
cefamandole nafatecefamandole sodium : An organic sodium salt that is the sodium salt of cefamandole.organic sodium saltantibacterial drug
cloxacillin sodiumorganic sodium salt
acid blue 129
fractals(3S,5R)-fluvastatin sodium : An organic sodium salt resulting from the replacement of the proton from the carboxy group of (3S,5R)-fluvastatin by a sodium ion.organic sodium salt;
statin (synthetic)
naproxen sodiumnaproxen sodium : An organic sodium salt consisting of equimolar amounts of naproxen(1-) anions and sodium anions.organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
sodium 2,6-dichloroindophenolorganic molecular entity
leu-ser-glu-ala-leuLeu-Ser-Glu-Ala-Leu: a putative calpastatin mimetic
srt1460SRT1460: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source
srt1720
srt2183SRT2183: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source
plx 4720PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first sourcearomatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
11,15>]Heptadec-14-yl]-5-hydrofuran-2-one, hydratecardenolide glycoside
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamidebenzamides
2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl esterquinazolines
mk 5108aromatic ether
cx 4945
cudc 1017-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source
amg 4581-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide: a c-met inhibitor; structure in first source
arry-614pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein
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
tak 593TAK 593: structure in first source
mln 8237MLN 8237: an aurora kinase A inhibitorbenzazepine
tenovin-6tenovin-6 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(dimethylamino)pentanoic acid with the aromatic amino group of N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide.monocarboxylic acid amide;
tertiary amino compound;
thioureas
antineoplastic agent;
p53 activator;
Sir2 inhibitor
sgx 523aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine
c-Met tyrosine kinase inhibitor;
nephrotoxic agent
bms 754807BMS 754807: an IGR-1R kinase inhibitor; structure in first sourcepyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
[5-[(3,4-difluorophenoxy)methyl]-3-isoxazolyl]-(3-propoxy-1-piperidinyl)methanoneN-acylpiperidine
N,3-dimethyl-5-propyl-N-(2-thiazolylmethyl)-2-benzofurancarboxamidebenzofurans
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-thiadiazolecarboxamidepyrazoles;
ring assembly
4-[oxo-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methyl]-1-piperazinecarboxylic acid ethyl esterbenzoxazole
bms 777607N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first sourcearomatic amide
sgi 1776SGI 1776: a Pim kinase inhibitor; structure in first sourceimidazoles
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)-2-furancarboxamidepyrazoles;
ring assembly
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-3-isoxazolecarboxamidemethoxybenzenes
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamidepiperidines
pci 32765ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.

ibrutinib: a Btk protein inhibitor
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ponatinib(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine
antineoplastic agent;
tyrosine kinase inhibitor
amg 900N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source
(3S)-3-(2-methylpropyl)-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl esterorganonitrogen compound;
organooxygen compound
(3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl esterorganonitrogen compound;
organooxygen compound
(3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl esterorganonitrogen compound;
organooxygen compound
(3R)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid diethyl esterorganonitrogen compound;
organooxygen compound
mk-1775adavosertib: a Wee1 kinase inhibitor; structure in first sourcepiperazines
tak-875biphenyls
AMG-208aromatic ether;
quinolines;
triazolopyridazine
antineoplastic agent;
c-Met tyrosine kinase inhibitor
tubocurarine chloride
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
at13148
tak 733
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
navitoclaxaryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
(1S,2R,4As,9aS)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-6-(hydroxymethyl)-1,2-dimethyl-3,4a,5,8,9,9a-hexahydro-2H-benzo[7]annulen-4-onealiphatic alcohol
stachyose
sns 314SNS 314: an aurora kinase inhibitor; structure in first sourceureas
vu0357017
bi d1870
lucitanibE-3810 : A hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor

E-3810 free base : A naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine.

E-3810: a multi-kinase inhibitor with antineoplastic activity; structure in first source
aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines
antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist
pf-04691502
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamidemomelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.

N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound
anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
dcc-2036rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agentorganofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines
tyrosine kinase inhibitor
pf 3246799
az 960
cabozantinibcabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.

cabozantinib: a multikinase inhibitor
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
N-(1-benzothiophen-7-ylmethyl)-2-thiophenecarboxamide1-benzothiophenes
N-(1-naphthalenylmethyl)-2-thiophenecarboxamidenaphthalenes
LSM-1873organic heterotricyclic compound;
organooxygen compound
LSM-1315organic heterotricyclic compound;
organooxygen compound
defactinib
ly2584702
incb-018424nitrile;
pyrazoles;
pyrrolopyrimidine
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinibHM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric canceracrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline
antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
asp3026ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties.

ASP3026: an anaplastic lymphoma receptor tyrosine kinase inhibitor; structure in first source
aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone
antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinibentrectinib : A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours.

entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source
benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pexidartinibpexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT).

pexidartinib: inhibits both CSF1R and c-kit receptor tyrosine kinase; structure in first source
aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
TAK-580MLN 2480: brain-penetrant RAF dimer antagonist

TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor
gsk 2126458omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors.

omipalisib: inhibitor of mTOR protein
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
emd1214063tepotinib: MET inhibitor
gsk 1838705aorganonitrogen compound;
organooxygen compound
pf 3758309PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first sourceorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gdc 0980
azd2014vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol(5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first sourcebenzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
(+)-(7S)-sydonic acid(+)-(7S)-sydonic acid : A sesquiterpenoid that is benzoic acid substituted by a hydroxy group at position 3 and a (2S)-2-hydroxy-6-methylheptan-2-yl group at position 4. It has been isolated from the sea fan derived fungus Aspergillus sydowii.aromatic alcohol;
monohydroxybenzoic acid;
sesquiterpenoid
Aspergillus metabolite
LSM-27979pyrrolidines
plx4032aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
gsk 1363089GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first sourcearomatic ether
arry-334543ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source
kin-193pyridopyrimidine
mk 2461
2-(trifluoromethylsulfonyl)-6,11-dihydro-5H-dibenzo[1,3-e-1',2'-f][7]annulen-11-olorganic tricyclic compound
5-(2-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
N-[(5-fluoro-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
4-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-dithiazolimineorganochlorine compound
4-[3-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamidesulfonamide
xanthoxylol, (1r-(1alpha,3alpha,4beta,6aalpha))-isomer
bay 869766
as 703026pyridinecarboxamide
4-[[[(2S,3S)-10-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acidbenzoic acids
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylureaaromatic ether
(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-onedialkylarylamine;
tertiary amino compound
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamideureas
1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]ureasulfonamide
baricitinibazetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide
anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl esterWYE-354: an mTOR inhibitor; structure in first sourcecarbamate ester
lyngbyastatin 3lyngbyastatin 3: from cyanobacteria; structure in first source
2-[[1-[(3-bromophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamideindoles
ml 137
grassystatin agrassystatin A: isolated from a cyanobacterium, identified as Lyngbya cf.; structure in first source
debromoaplysiatoxindebromoaplysiatoxin : A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs.

debromoaplysiatoxin: sea algae toxin from lyngbya majuscula.; structure
aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal
algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
N-[(5-bromo-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]propanamidehydroxyquinoline
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
p505-15
dabrafenib1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
nitd 609NITD 609: an antimalarial and coccidiostat; structure in first source
pki 587gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source
azd9164AZD9164: structure in first source
4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide: a protein kinase inhibitor; structure in first source
2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridinetriazoles
n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamidemerestinib: in phase I clinical trials (2013); structure in first source
5-(2,5-difluorophenyl)-N-(2,6-dimethylphenyl)-2-furancarboxamidearomatic amide;
furans
5-(2,5-dichlorophenyl)-N-(2,6-dimethoxyphenyl)-2-furancarboxamidearomatic amide;
furans
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamidearomatic amide;
furans
(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)-3-piperidinyl]methanonearomatic ketone
ribociclibribociclib: inhibits both CDK4 and CDK6
oclacitinib
3-furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanoneN-arylpiperazine
mk-80331-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide: inhibits both Ron and c-Met kinases; structure in first source
pf-04991532
pha 793887piperidinecarboxamide
abt-348ilorasertib: an antineoplastic agent and protein kinase inhibitor; structure in first source
ly2784544pyridazines
sb 1518
abemaciclib
mk-8776
nvp-bsk805
afuresertibamphetamines
amg-837AMG-837: GPR40 agonist
gsk143GSK143: a Syk kinase inhibitor; structure in first source
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
jnj38877605quinolines
pf-04937319N,N-dimethyl-5-((2-methyl-6-((5-methylpyrazin-2-yl)carbamoyl)benzofuran-4-yl)oxy)pyrimidine-2-carboxamide: a glucokinase activator; structure in first source
dinaciclibpyrazolopyrimidine
tug-469TUG-469: a GPR40 agonist with antidiabetic activity; structure in first source
gsk-5498a2,6-difluoro-N-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide: structure in first source

GSK-5498A : A member of the class of pyrazoles that is 1H-pyrazole substituted by 2-fluoro-6-(trifluoromethyl)benzyl and (2,6-difluorobenzoyl)amino groups at positions 1 and 3, respectively. It is a inhibitor of Ca(2+) release-activated Ca(2+) (CRAC) channel and inhibits the release of mast cell mediators and T-cell cytokines in human and rat preparations.
(trifluoromethyl)benzenes;
difluorobenzene;
pyrazoles;
secondary carboxamide
calcium channel blocker
nms p937NMS P937: a polo-like kinase 1 inhibitor; structure in first source
gilteritinibgilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.

gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alectinibaromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
glpg0634
nms-p118NMS-P118: a PARP-1 inhibitor; structure in first source
abt-199venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion.

venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source.
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
n,n-diallyl-5-methoxytryptamineN,N-diallyl-5-methoxytryptamine: structure in first sourcetryptamines
delgocitinibdelgocitinib : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a (3S,4R)-1-(cyanoacetyl)-3-methyl-1,6-diazaspiro[3.4]octan-6-yl group at position 4. It is a pan-Janus kinase (JAK) inhibitor and is approved for treatment of atopic dermatitis (AD) in Japan.

delgocitinib: a Janus kinase inhibitor
azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide
anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
encorafenibencorafenib: a BRAF inhibitor
bms-911543N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide: has antineoplastic activity; structure in first source
gsk2141795GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source
sphaeropsidin asphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first sourcegamma-lactonemetabolite
azd8186
pf 956980PF 956980: structure in first source

PF-956980 : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted at position 4 by a methyl[(3R,4R)-4-methyl-1-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]nitrilo group. It is a potent JAK3-selective chemical probe.
N-acylpiperidine;
N-acylpyrrolidine;
pyrrolopyrimidine;
tertiary amino compound
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
incb039110INCB039110: a JAK1 inhibitor; structure in first source
ml253ML253: structure in first source
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-3-quinolinecarboxamidearomatic amide;
quinolines
piroxicambenzothiazine;
monocarboxylic acid amide;
pyridines
analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
lfm a13LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties.aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor
mobicmeloxicam : A benzothiazine that is piroxicam in which the pyridin-2-yl group is replaced by a 5-methyl-1,3-thiazol-2-yl group. A non-steroidal anti-inflammatory drug and selective inhibitor of COX-2, it is used particularly for the management of rheumatoid arthritis.

Meloxicam: A benzothiazine and thiazole derivative that acts as a NSAID and cyclooxygenase-2 (COX-2) inhibitor. It is used in the treatment of RHEUMATOID ARTHRITIS; OSTEOARTHRITIS; and ANKYLOSING SPONDYLITIS.
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide
analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
4-hydroxy-1-methyl-3-(phenylthio)-1,2-dihydroquinolin-2-onequinolines
4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propyl-3-quinazolinyl)-3-quinolinecarboxamidearomatic amide;
quinolines
N'-[(2-chlorophenyl)-oxomethyl]-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarbohydrazidearomatic amide;
quinolines
4,7-Dihydroxy-2H-1-benzopyran-2-onehydroxycoumarin
4-hydroxy-1-methyl-N'-[(3-methylphenyl)-oxomethyl]-2-oxo-3-quinolinecarbohydrazidearomatic amide;
quinolines
4-hydroxy-2-oxo-1-prop-2-enyl-N-(3-pyridinyl)-3-quinolinecarboxamidearomatic amide;
quinolines
1-ethyl-4-hydroxy-2-oxo-N'-(1-oxoheptyl)-3-quinolinecarbohydrazidearomatic amide;
quinolines
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamidehydroxyquinoline
teriflunomide(trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide
drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor
1-ethyl-4-hydroxy-2-oxo-N'-(1-oxodecyl)-3-quinolinecarbohydrazidearomatic amide;
quinolines
4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dioneorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetic acid pentyl esterhydroxyquinoline
N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarboxamidearomatic amide;
quinolines
agi-5198AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source
byl719proline derivative
rpx7009RPX7009: a beta-lactamase inhibitor; structure in first source
cep-32496agerafenib: inhibitor of RAF family kinases; structure in first source
ethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylateethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate: structure in first source
rociletinibrociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source
cep 33779
entecavirbenzamides;
N-acylpiperidine
ceritinibceritinib : A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer.

ceritinib: an anaplastic lymphoma kinase inhibitor
aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vu0364572VU0364572: muscarinic agonist; structure in first source
4-(((r)-1-(benzo(b)thiophene-3-carbonyl)-2-methyl-azetidine-2-carbonyl)-(3-chloro-benzyl)-amino)-butyric acid4-(((R)-1-(benzo(b)thiophene-3-carbonyl)-2-methyl-azetidine-2-carbonyl)-(3-chloro-benzyl)-amino)-butyric acid: structure in first source
tug-891GPU-028: structure in first source
am 1638
azd1208
HG-10-102-01HG-10-102-01 : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-{[5-chloro-4-(methylamino)pyrimidin-2-yl]amino}-3-methoxybenzoic acid with the amino group of morpholine. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2).

HG-10-102-01: a PET radiotracer that targets LRRK2 protein; structure in first source
aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cc-292spebrutinib: inhibits Bruton's tyrosine kinase; structure in first source
vx-509
vx-970berzosertib: an ATR kinase inhibitorsulfonamide
gs-9973
gsk-7975a2,6-difluoro-N-(1-(4-hydroxy-2-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide: structure in first source
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
vx-787pimodivir: non‐nucleotide inhibitor of the polymerase basic protein 2 (PB2) subunit of the influenza A that is active against H1N1, H7N9 and H5N1, as well as influenza A strains with reduced susceptibility to NAIs
volitinib
acp-196acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.

acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity
aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
idarucizumab
osimertinibosimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer.

osimertinib: an EGFR tyrosine kinase inhibitor
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
bmx-in-1BMX-IN-1: a BMX tyrosine kinase inhibitor; structure in first source
pf-06463922lorlatinib : A cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer.

lorlatinib: inhibits both anaplastic lymphoma kinase and c-ros oncogene 1 (ROS1) protein
aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
9-(1-methyl-4-pyrazolyl)-1-[1-(1-oxoprop-2-enyl)-2,3-dihydroindol-6-yl]-2-benzo[h][1,6]naphthyridinonenaphthyridine derivative
vu0467154
at 9283
otssp167OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity
chir 258
osi 027OSI 027: inhibits both mTORC1 and mTORC2; structure in first source
clozapineclozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.

Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound
adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
didanosinedidanosine : A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS.

Didanosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite.
purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
olanzapineolanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4.

Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy.
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine
antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
ro 3306RO 3306: structure in first source
allopurinolallopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.

Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.
nucleobase analogue;
organic heterobicyclic compound
antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
norclozapineN-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.

norclozapine: structure given in first source
dibenzodiazepine;
organochlorine compound;
piperazines
delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
1-hydroxyphenazine1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position.

1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa
phenazines
bentazepambentazepam: RN given refers to parent cpd; structureorganonitrogen heterocyclic compound;
organosulfur heterocyclic compound
tegaserod maleatemaleate saltserotonergic agonist
hymenialdisine
8-bromocyclic gmp, sodium saltsodium 8-bromo-3',5'-cyclic GMP : An organic sodium salt having 8-bromoguanosine 3',5'-cyclic phosphate as the counterion. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.organic sodium saltmuscle relaxant;
protein kinase G agonist
nintedanibnintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.
oosporeinoosporein: from Chaetomium trilaterale; found in moldy peanuts
6-methyl-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one1,2,4-triazines
N-butyl-5-(3,4-dimethylphenyl)-6H-1,3,4-thiadiazin-2-aminemethylbenzene
2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-onequinazolines
debromohymenialdisine
galloflavingalloflavin: structure in first source
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
carbadoxCarbadox: An antibacterial agent that has been used in veterinary practice for treating swine dysentery and enteritis and for promoting growth. However, its use has been prohibited in the UK following reports of carcinogenicity and mutagenicity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p125)quinoxaline derivative
2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl esterleucine derivative
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl esterbenzoate ester
bay 80-6946copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies.

copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source
pp242torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine
antineoplastic agent;
mTOR inhibitor
nms-e973NMS-E973: structure in first source
n-(3-((2-hydroxynaphthalen-1-ylmethylene)amino)phenyl)-2-phenylpropionamide
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acidbenzoic acids