| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
levoplast
Levoplast: mixture of acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-, (R-(R*,R*))-, castor oil, celluloidin, collodion & tannins | 2.15 | 1 | 0 | C-nitro compound | |
hippuric acid
hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl. | 2.15 | 1 | 0 | N-acylglycine | human blood serum metabolite;
uremic toxin |
xanthine
7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. | 2.15 | 1 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
catechin
[no description available] | 2.31 | 1 | 0 | hydroxyflavan | |
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
[no description available] | 2.31 | 1 | 0 | catechin | |
atrolactic acid
atrolactic acid: see also 3-isomer; RN given refers to parent cpd without isomeric designation; structure | 2.15 | 1 | 0 | 2-hydroxy monocarboxylic acid | |
etofylline
etofylline: etophyllin appeared once in PubMed: Wien Med Wochenschr. 1986 May 15;136(9):213-8 as a combination drug with theophylline (spelt without e, theophllin) | 2.15 | 1 | 0 | oxopurine | |
n-acetyltryptophan
N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan. | 2.15 | 1 | 0 | N-acetyl-amino acid;
tryptophan derivative | metabolite |
ethacridine
Ethacridine: A topically applied anti-infective agent. | 2.15 | 1 | 0 | acridines | |
altretamine
Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine. | 2.15 | 1 | 0 | triamino-1,3,5-triazine | |
theophylline
[no description available] | 2.31 | 1 | 0 | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent |
2,5-di-tert-butylhydroquinone
2,5-di-tert-butylbenzene-1,4-diol : A member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5. | 2.15 | 1 | 0 | hydroquinones | |
bronopol
[no description available] | 2.31 | 1 | 0 | nitro compound | |
caffeine
[no description available] | 2.31 | 1 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]carbamic acid (phenylmethyl) ester
[no description available] | 2.31 | 1 | 0 | leucine derivative | |
carmofur
[no description available] | 2.31 | 1 | 0 | organohalogen compound;
pyrimidines | |
cx546
1-(1,4-benzodioxan-6-ylcarbonyl)piperidine: structure in first source | 2.15 | 1 | 0 | | |
diphenhydramine
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.. 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.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. | 2.15 | 1 | 0 | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative |
disulfiram
[no description available] | 2.31 | 1 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
diuron
Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. | 2.15 | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene | environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic |
ebselen
ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase. | 2.31 | 1 | 0 | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger |
foscarnet
Foscarnet: An antiviral agent used in the treatment of cytomegalovirus retinitis. Foscarnet also shows activity against human herpesviruses and HIV.. phosphonoformic acid : Phosphoric acid in which one of the hydroxy groups is replaced by a carboxylic acid group. It is used as the trisodium salt as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity. | 2.03 | 1 | 0 | carboxylic acid;
one-carbon compound;
phosphonic acids | antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor |
hexachlorophene
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). hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union. | 2.31 | 1 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
hydroxychloroquine
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). hydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions. | 2.31 | 1 | 0 | aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug |
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 2.15 | 1 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
ipriflavone
ipriflavone : A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. | 2.15 | 1 | 0 | aromatic ether;
isoflavones | bone density conservation agent |
beta-lapachone
beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. | 2.31 | 1 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
mebendazole
Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. | 2.15 | 1 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
vitamin k 3
Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 2.31 | 1 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
nocodazole
[no description available] | 2.15 | 1 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes | antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator |
niclosamide
Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections. | 2.31 | 1 | 0 | benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide | anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor |
piribedil
Piribedil: A dopamine D2 agonist. It is used in the treatment of parkinson disease, particularly for alleviation of tremor. It has also been used for circulatory disorders and in other applications as a D2 agonist. | 2.15 | 1 | 0 | N-arylpiperazine | |
potassium chloride
Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion. | 2.15 | 1 | 0 | inorganic chloride;
inorganic potassium salt;
potassium salt | fertilizer |
procainamide
Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.. procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. | 2.15 | 1 | 0 | benzamides | anti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker |
prometone
prometone: structure. prometon : A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which the one of the hydrogens of each amino group is substituted by an isopropyl group. | 2.15 | 1 | 0 | diamino-1,3,5-triazine;
methoxy-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
propanil
Propanil: A chlorinated anilide that is used as an herbicide.. propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat. | 2.15 | 1 | 0 | anilide;
dichlorobenzene | herbicide |
protoporphyrin ix
protoporphyrin IX: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7685. protoporphyrin : A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins. | 2.31 | 1 | 0 | | |
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
[no description available] | 2.31 | 1 | 0 | indoles | |
alkannin
[no description available] | 2.31 | 1 | 0 | naphthoquinone | |
sulfadimethoxine
Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. | 2.15 | 1 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
sulfamethazine
Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.. sulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position. | 2.15 | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic |
sulfathiazole
Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position. | 2.15 | 1 | 0 | 1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic |
testosterone
[no description available] | 2.15 | 1 | 0 | 3-hydroxy steroid | androgen |
triclosan
[no description available] | 2.31 | 1 | 0 | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic |
2-hydroxybenzylbenzimidazole
2-hydroxybenzylbenzimidazole: RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | | |
phenylephrine
Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring. | 2.15 | 1 | 0 | phenols;
phenylethanolamines;
secondary amino compound | alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent |
etimizol
Etimizol: A xanthine-related, putative nootropic drug. | 2.15 | 1 | 0 | | |
nifenalol
nifenalol: adrenergic beta-blocker with good antiarrhythmic properties; also tends to lower blood pressure & provide protection against angina; minor descriptor (75-86); on-line & INDEX MEDICUS search ETHANOLAMINES (75-86); RN given refers to parent cpd without isomeric designation | 2.15 | 1 | 0 | C-nitro compound | |
bis(4-hydroxyphenyl)sulfone
bis(4-hydroxyphenyl)sulfone: structure and RN in first source. 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups. | 2.15 | 1 | 0 | bisphenol;
sulfone | endocrine disruptor;
metabolite |
8-hydroxyquinoline-5-sulfonic acid
8-hydroxyquinoline-5-sulfonic acid: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
salicylanilide
salicylanilide: RN given refers to parent cpd. salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. | 2.15 | 1 | 0 | benzanilide fungicide;
salicylamides;
salicylanilides | |
pyromellitic acid
pyromellitic acid: RN given refers to parent cpd; structure. pyromellitic acid : A tetracarboxylic acid that is benzene substituted by four carboxy groups at positions 1, 2, 4 and 5 respectively. | 2.31 | 1 | 0 | benzoic acids;
tetracarboxylic acid | |
2-phenylbutyric acid
2-phenylbutyric acid : A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. | 2.15 | 1 | 0 | benzenes;
monocarboxylic acid | human xenobiotic metabolite |
4,4'-dimethoxybenzophenone
4,4'-dimethoxybenzophenone: structure in first source | 2.15 | 1 | 0 | | |
6-phenyl-1,3,5-triazine-2,4-diamine
6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source | 2.15 | 1 | 0 | | |
quinaldic acid
[no description available] | 2.15 | 1 | 0 | quinolinemonocarboxylic acid | human metabolite;
Saccharomyces cerevisiae metabolite |
N-(2-methoxyphenyl)acetamide
[no description available] | 2.15 | 1 | 0 | acetamides;
methoxybenzenes | |
fast red b
Fast Red B: structure in first source. fast red B : An organosulfonate salt composed from 2-methoxy-4-nitrobenzene-1-diazonium and 5-sulfonaphthalene-1-sulfonate in a 1:1 ratio. Used for demostrating enterochromaffin in carcinoid tumours. | 2.15 | 1 | 0 | | |
methylenebis(chloroaniline)
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.. 4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. | 2.15 | 1 | 0 | chloroaniline | metabolite |
di-(4-aminophenyl)ether
di-(4-aminophenyl)ether: structure | 2.15 | 1 | 0 | aromatic ether | |
diphenylguanidine
diphenylguanidine: vulcanization accelerator; RN given refers to parent cpd. 1,3-diphenylguanidine : Guanidine carrying a phenyl substituent on each of the two amino groups. It is used as an accelerator in the rubber industry. | 2.15 | 1 | 0 | guanidines | allergen |
4-Anilino-4-oxobutanoic acid
[no description available] | 2.15 | 1 | 0 | anilide | |
mephobarbital
Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups. | 2.15 | 1 | 0 | barbiturates | anticonvulsant |
etryptamine
etryptamine: RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | indoles | |
chloranil
Chloranil: A quinone fungicide used for treatment of seeds and foliage.. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. | 2.31 | 1 | 0 | 1,4-benzoquinones;
organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite |
sulfacetamide
[no description available] | 2.15 | 1 | 0 | | |
cinchophen
cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94 | 2.15 | 1 | 0 | quinolines | |
2-aminobenzothiazole
[no description available] | 2.15 | 1 | 0 | benzothiazoles | |
carzenide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
nitrilotriacetic acid
Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.) | 2.15 | 1 | 0 | NTA;
tricarboxylic acid | carcinogenic agent;
nephrotoxic agent |
n-(2-cyanoethyl)-2-phenylethylamine
N-(2-cyanoethyl)-2-phenylethylamine: prodrug of 2-phenylethylamine | 2.15 | 1 | 0 | | |
cyclooctane
[no description available] | 2.15 | 1 | 0 | | |
triphenyltetrazolium chloride
2,3,5-triphenyltetrazolium chloride : An organic chloride salt having 2,3,5-triphenyltetrazolium as the counterion. | 2.15 | 1 | 0 | organic chloride salt | dye;
indicator |
2,7-diacetylaminofluorene
2,7-diacetylaminofluorene: has been found to induce leukemia in animals; minor descriptor (75-84); on-line search 2-ACETYLAMINOFLUORENE/AA (75-84); Index Medicus search 2-ACETYLAMINOFLUORENE/AA (80-82), FLUORENES (75-79) | 2.15 | 1 | 0 | | |
monocrotaline
Monocrotaline: A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment. | 2.31 | 1 | 0 | pyrrolizidine alkaloid | |
plumbagin
plumbagin: a superoxide anion generator. plumbagin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. | 2.31 | 1 | 0 | hydroxy-1,4-naphthoquinone;
phenols | anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite |
3,4-pyridinedicarboxylic acid
3,4-pyridinedicarboxylic acid: structure in first source | 2.15 | 1 | 0 | pyridinedicarboxylic acid | |
dithiol
dithiol: structure | 2.31 | 1 | 0 | | |
dihydroergotamine
Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS.. dihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension. | 2.31 | 1 | 0 | ergot alkaloid;
semisynthetic derivative | dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent |
abietic acid
abietic acid : An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. | 2.31 | 1 | 0 | abietane diterpenoid;
monocarboxylic acid | plant metabolite |
4-(benzoylamino)-2-hydroxybenzoic acid
4-(benzoylamino)-2-hydroxybenzoic acid: Bepask is calcium salt | 2.15 | 1 | 0 | benzamides | |
tropic acid
tropic acid: acid moiety of ester alkaloids hyoscyamine & scopolamine; RN given refers to parent cpd with unspecified isomeric designation; structure. tropic acid : A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. | 2.15 | 1 | 0 | 3-hydroxy monocarboxylic acid | human xenobiotic metabolite |
8-hydroxy-7-iodo-5-quinolinesulfonic acid
8-hydroxy-7-iodo-5-quinolinesulfonic acid: used with iodine isotopes in radioisotope scanning; structure | 2.15 | 1 | 0 | hydroxyquinoline | |
1-acetylisatin
1-acetylisatin: structure in first source | 2.15 | 1 | 0 | indoledione | |
4-cumylphenol
[no description available] | 2.15 | 1 | 0 | diarylmethane | |
5-methylisatin
5-methylisatin: structure in first source | 2.15 | 1 | 0 | | |
2-hydrazinobenzothiazole
[no description available] | 2.15 | 1 | 0 | | |
4-(dimethylamino)benzoic acid
[no description available] | 2.31 | 1 | 0 | | |
1,2,3-trimethoxybenzene
1,2,3-trimethoxybenzene : A methoxybenzene that is benzene substituted by methoxy groups at positions 1, 2 and 3 respectively. | 2.15 | 1 | 0 | methoxybenzenes | plant metabolite |
agaric acid
agaric acid: adenine nucleotide translocase antagonist | 2.31 | 1 | 0 | | |
2-amino-5-chlorobenzophenone
2-amino-5-chlorbenzophenone: structure given in first source | 2.15 | 1 | 0 | | |
diphenamid
diphenamid: do not confuse with anti-inflammatory agent difenpiramide; structure | 2.15 | 1 | 0 | diarylmethane | |
4-(4-nitrobenzyl)pyridine
[no description available] | 2.15 | 1 | 0 | | |
5-methyl-3-phenylisoxazole-4-carboxylic acid
5-methyl-3-phenylisoxazole-4-carboxylic acid: has anti-tumor, antiviral, hypoglycemic, antifungal and anti-HIV activities; structure in first source | 2.15 | 1 | 0 | | |
2-acetylbenzofuran
2-acetylbenzofuran: structure in first source | 2.15 | 1 | 0 | | |
pyrazon
pyrazon: structure; do not confuse with phenazone which is a synonym to antipyrine. chloridazon : A pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2. | 2.15 | 1 | 0 | benzenes;
organochlorine compound;
primary amino compound;
pyridazinone | environmental contaminant;
herbicide;
xenobiotic |
2-amino-5-nitrobenzophenone
2-amino-5-nitrobenzophenone: urinary metabolite of nitrazepam | 2.15 | 1 | 0 | | |
(4-tert-Butyl-phenoxy)-acetic acid
[no description available] | 2.15 | 1 | 0 | monocarboxylic acid | |
lenacil
lenacil: Russian drug. herbicide : A substance used to destroy plant pests.. lenacil : A cyclopentapyrimidine that is 6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione substituted by a cyclohexyl group at position 3. | 2.15 | 1 | 0 | cyclopentapyrimidine | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
phenethyl isothiocyanate
phenethyl isothiocyanate: a dietary liver aldehyde dehydrogenase inhibitor; promotes urinary bladder carcinoma. phenethyl isothiocyanate : An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. | 2.31 | 1 | 0 | isothiocyanate | antineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite |
1,2-benzisothiazoline-3-one
1,2-benzisothiazoline-3-one: a preservative in water-based solutions such as paints, cutting fluids, printing inks, cleaning agents, polyvinyl chloride gloves, etc.. benzo[d]isothiazol-3-one : An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. | 2.31 | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | disinfectant;
drug allergen;
environmental contaminant;
platelet aggregation inhibitor;
sensitiser;
xenobiotic |
chlordesmethyldiazepam
[no description available] | 2.15 | 1 | 0 | benzodiazepine | |
2-amino-2',5-dichlorobenzophenone
2-amino-2',5-dichlorobenzophenone: structure given in first source | 2.15 | 1 | 0 | | |
2-(2'-hydroxyphenyl)benzimidazole
2-(2'-hydroxyphenyl)benzimidazole: structure in first source | 2.15 | 1 | 0 | | |
4-phthalimidobutyric acid
4-phthalimidobutyric acid: teratogen; RN given refers to parent cpd | 2.15 | 1 | 0 | | |
azabutyrone
azabutyrone: Russian drug; RN given refers to parent cpd; structure | 2.15 | 1 | 0 | | |
2-(2-hydroxyphenyl)benzothiazole
2-(1,3-benzothiazol-2-yl)phenol : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2. | 2.15 | 1 | 0 | benzothiazoles;
phenols | geroprotector |
4,5-dichlorocatechol
[no description available] | 2.15 | 1 | 0 | | |
n-butylbenzenesulfonamide
N-butylbenzenesulfonamide: a neurotoxic plasticising agent. N-butylbenzenesulfonamide : A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity. | 2.15 | 1 | 0 | sulfonamide | neurotoxin;
plant metabolite |
3-phenoxybenzoic acid
3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides. 3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. | 2.15 | 1 | 0 | phenoxybenzoic acid | human xenobiotic metabolite;
marine xenobiotic metabolite |
2-(2-hydroxyethylmercapto)benzothiazole
2-(2-hydroxyethylmercapto)benzothiazole: reaction product of 2-mercaptobenzothiazole, well-known rubber vulcanization accelerator; structure in first source | 2.15 | 1 | 0 | | |
carboxin
Carboxin: A systemic agricultural fungicide and seed treatment agent.. carboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment. | 2.15 | 1 | 0 | anilide fungicide;
anilide;
enamide;
organosulfur heterocyclic compound;
oxacycle;
secondary carboxamide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
meturin
[no description available] | 2.15 | 1 | 0 | | |
2-bromo-N-phenylbenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
4-chlorohippuric acid
4-chlorohippuric acid: metabolite of zomepirac; RN given refers to parent cpd | 2.15 | 1 | 0 | | |
4-chlorophenoxyacetic acid
4-chlorophenoxyacetic acid: RN given refers to parent cpd; structure. (4-chlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4. | 2.15 | 1 | 0 | chlorophenoxyacetic acid;
monochlorobenzenes | phenoxy herbicide |
2,5-dichloro-1,4-phenylenediamine
2,5-dichloro-1,4-phenylenediamine: structure in first source | 2.15 | 1 | 0 | | |
metribuzin
metribuzin : A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3. | 2.15 | 1 | 0 | 1,2,4-triazines;
cyclic ketone;
organic sulfide | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
2,5-dimethyl-3-furancarboxanilide
2,5-dimethyl-3-furancarboxanilide: structure | 2.15 | 1 | 0 | | |
moricizine hydrochloride
moricizine hydrochloride : A hydrochloride salt obtained from equimola amounts of moricizine and hydrogen chloride. | 2.15 | 1 | 0 | hydrochloride | anti-arrhythmia drug |
zidovudine
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.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase. | 2.03 | 1 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
2-benzimidazolylguanidine
2-benzimidazolylguanidine: effects chloride efflux in tissue; RN given refers to parent cpd | 2.15 | 1 | 0 | aminoimidazole | |
diflubenzuron
Diflubenzuron: An insect growth regulator which interferes with the formation of the insect cuticle. It is effective in the control of mosquitoes and flies.. diflubenzuron : A benzoylurea insecticide that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 4-chlorophenyl group, and a hydrogen attached to the other nitrogen is replaced bgy a 2,6-difluorobenzoyl group. | 2.15 | 1 | 0 | benzoylurea insecticide;
monochlorobenzenes | insect sterilant |
pentafluorobenzoyl-n-phenylethylamine
[no description available] | 2.15 | 1 | 0 | | |
thidiazuron
[no description available] | 2.15 | 1 | 0 | ureas | |
phenthiazamine
phenthiazamine: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
5,5-diphenylbarbituric acid
5,5-diphenylbarbituric acid: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
3-acetamidobenzoic acid
N-acetyl-m-aminobenzoic acid: from Solanum laciniatum; structure in first source | 2.15 | 1 | 0 | | |
dazoxiben hydrochloride
[no description available] | 2.15 | 1 | 0 | | |
succinylsulfanilamide
[no description available] | 2.15 | 1 | 0 | | |
zinc ethylphenyldithiocarbamate
[no description available] | 2.31 | 1 | 0 | | |
benzylaminopurine
benzylaminopurine: a plant growth regulator. N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. | 2.15 | 1 | 0 | 6-aminopurines | cytokinin;
plant metabolite |
ciprofloxacin hydrochloride anhydrous
[no description available] | 2.15 | 1 | 0 | hydrochloride | antibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
src-820 r
[no description available] | 2.15 | 1 | 0 | | |
n(4)-acetylsulfadiazine
N(4)-acetylsulfadiazine: main metabolite of sulfadiazine. N(4)-acetylsulfadiazine : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine. | 2.15 | 1 | 0 | acetamides;
pyrimidines;
sulfonamide | marine xenobiotic metabolite |
baicalin
[no description available] | 2.31 | 1 | 0 | dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative | antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug |
4-nitro-alpha-acetylamino-beta-hydroxypropiophenone
4-nitro-alpha-acetylamino-beta-hydroxypropiophenone: inhibitory agent for the differentiation of mammalian tuberculosis strains from other Mycobacteria | 2.15 | 1 | 0 | | |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent. 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions. | 2.31 | 1 | 0 | gallate ester;
galloyl beta-D-glucose | anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger |
formetamide
formetamide: RN given refers to cpd with unspecified isomeric designation | 2.15 | 1 | 0 | | |
isbufylline
isbufylline: RN from Toxlit | 2.15 | 1 | 0 | | |
phenylacetylglycine
phenylacetylglycine : A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. | 2.15 | 1 | 0 | monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine | human metabolite;
mouse metabolite |
N-benzoylanthranilic acid
N-benzoylanthranilic acid : An amidobenzoic acid comprising benzoic acid having a benzamido group at the 2-position. | 2.15 | 1 | 0 | amidobenzoic acid | |
butinoline
[no description available] | 2.15 | 1 | 0 | diarylmethane | |
n-(2-carboxyphenyl)glycine
[no description available] | 2.15 | 1 | 0 | | |
n,n-dimethyl-4-anisidine
[no description available] | 2.15 | 1 | 0 | | |
n-benzoylpiperidine
[no description available] | 2.15 | 1 | 0 | benzamides;
N-acylpiperidine | |
2-phenylcyclopropanecarboxylic acid
2-phenylcyclopropanecarboxylic acid: RN given for (trans)-isomer; structure in first source | 2.15 | 1 | 0 | | |
n-demethylantipyrine
[no description available] | 2.15 | 1 | 0 | pyrazoles;
ring assembly | |
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine
[no description available] | 2.15 | 1 | 0 | 1,2,4-triazines | |
2-amino-5-bromopyridine
[no description available] | 2.15 | 1 | 0 | | |
n-benzoylalanine, (dl-ala)-isomer
[no description available] | 2.15 | 1 | 0 | alanine derivative;
N-acyl-amino acid | metabolite |
bicinchoninic acid
[no description available] | 2.15 | 1 | 0 | | |
betamipron
[no description available] | 2.15 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
vanitiolide
[no description available] | 2.31 | 1 | 0 | methoxybenzenes;
phenols | |
benzoylpropionic acid
benzoylpropionic acid: structure in first source. 4-oxo-4-phenylbutyric acid : A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4. | 2.15 | 1 | 0 | 4-oxo monocarboxylic acid | hapten |
LSM-4272
[no description available] | 2.31 | 1 | 0 | beta-carbolines | |
Evoxine
[no description available] | 2.15 | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: precursor of mutagenic nitroso cpd in soy sauce; structure given in first source | 2.15 | 1 | 0 | harmala alkaloid | |
N-Benzylphthalimide
[no description available] | 2.15 | 1 | 0 | isoindoles | |
pyromellitic diimide
pyromellitic diimide: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
4'-bromosalicylanilide
4'-bromosalicylanilide: photoproduct from UV-irradiation of tribromsalan; structure | 2.15 | 1 | 0 | | |
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane
2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane: methoxychlor metabolite | 2.15 | 1 | 0 | bisphenol | |
terephthalamide
[no description available] | 2.15 | 1 | 0 | benzenedicarboxamide | |
3(2h)-pyridazinone, 4-chloro-5-(dimethylamino)-2-phenyl-
[no description available] | 2.15 | 1 | 0 | | |
2-nitrophenylacetic acid
(2-nitrophenyl)acetic acid : A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the ortho- position by a nitro group. | 2.15 | 1 | 0 | C-nitro compound;
phenylacetic acids | |
onychine
[no description available] | 2.15 | 1 | 0 | | |
4'-methoxyflavone
4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first source | 2.15 | 1 | 0 | ether;
flavonoids | |
1,3-diphenyl-2-aminopropane
1,3-diphenyl-2-aminopropane: structure given in the first source | 2.15 | 1 | 0 | | |
2,2-diphenylpropionic acid
2,2-diphenylpropionic acid: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
3,4-dimethoxyphenylacetamide
3,4-dimethoxyphenylacetamide: structure | 2.15 | 1 | 0 | | |
2-amino-5-bromobenzoic acid
2-amino-5-bromobenzoic acid: structure in first source | 2.15 | 1 | 0 | | |
2-(1H-benzimidazol-2-yl)aniline
2-(1H-benzimidazol-2-yl)aniline : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a 2-aminophenyl group at position 2. | 2.15 | 1 | 0 | benzimidazoles;
primary arylamine;
substituted aniline | geroprotector |
N-Acetylhomoveratrylamine
[no description available] | 2.15 | 1 | 0 | acetamides | |
2-chlorobenzenesulfonamide
[no description available] | 2.15 | 1 | 0 | | |
4-nitrophenyl dimethylcarbamate
[no description available] | 2.15 | 1 | 0 | | |
8-(4-tolylsulfonylamino)quinoline
8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first source | 2.15 | 1 | 0 | sulfonamide | |
5-methoxyindole-3-carbaldehyde
[no description available] | 2.15 | 1 | 0 | indoles | |
2-oxo-1,2-dihydroquinoline-4-carboxylic acid
[no description available] | 2.15 | 1 | 0 | quinolinemonocarboxylic acid | |
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
[no description available] | 2.15 | 1 | 0 | beta-carbolines | |
pd 147953
[no description available] | 2.15 | 1 | 0 | | |
fenozan
fenozan: do not confuse with the phenothiazine phenosan | 2.15 | 1 | 0 | | |
5-phenylbarbituric acid
5-phenylbarbituric acid: RN given refers to parent cpd | 2.15 | 1 | 0 | | |
diethylpropion hydrochloride
diethylpropion hydrochloride : The hydrochloride salt of diethylpropion. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as an anoretic in the short term management of obesity. | 2.15 | 1 | 0 | hydrochloride | appetite depressant |
lopinavir
[no description available] | 2.31 | 1 | 0 | amphetamines;
dicarboxylic acid diamide | anticoronaviral agent;
antiviral drug;
HIV protease inhibitor |
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol: chloramphenicol minus dichloroacetamide side chain; RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | | |
beta-hydroxyphenylalanine
beta-hydroxyphenylalanine: RN given refers to beta cpd | 2.15 | 1 | 0 | | |
3-(n-salicyloyl)amino-1,2,4-triazole
3-(N-salicyloyl)amino-1,2,4-triazole: synthetic chelating agent used chiefly to inhibit corrosion of copper | 2.15 | 1 | 0 | | |
7-chloro-4-aminoquinoline
7-chloro-4-aminoquinoline: structure given in first source | 2.15 | 1 | 0 | aminoquinoline | |
acridine-9-carboxylic acid
[no description available] | 2.15 | 1 | 0 | | |
1-phenazinecarboxylic acid
1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source. phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. | 2.15 | 1 | 0 | aromatic carboxylic acid;
monocarboxylic acid;
phenazines | antifungal agent;
antimicrobial agent;
bacterial metabolite |
4,5-diphenyl-1,5-dihydroimidazol-2-one
[no description available] | 2.15 | 1 | 0 | stilbenoid | |
2-hydroxy-1,2-bis(methoxyphenyl)ethanone
2-hydroxy-1,2-bis(methoxyphenyl)ethanone: structure given in first source | 2.15 | 1 | 0 | | |
4-methyl-N-(phenylmethyl)benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-n-butylaminobenzoic acid
4-n-butylaminobenzoic acid: degradation product of tetracaine. 4-(butylamino)benzoic acid : 4-Aminobenzoic acid in which one of the hydrogens attached to the nitrogen is substituted by a butyl group. | 2.15 | 1 | 0 | aromatic amino acid | |
fluoren-9-ol
[no description available] | 2.15 | 1 | 0 | | |
1-(2-carboxyethyl)uracil
[no description available] | 2.15 | 1 | 0 | | |
1-benzylindole
1-benzylindole: structure | 2.15 | 1 | 0 | | |
2,3-bis(2-pyridinyl)quinoxaline
[no description available] | 2.15 | 1 | 0 | quinoxaline derivative | |
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol : A member of the class of hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'. | 2.15 | 1 | 0 | dichlorobenzene;
hydroxybiphenyls | |
5-nitro-2-(1-piperidinyl)pyridine
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
2-amino-5,7-dimethyl-1,8-naphthyridine
2-amino-5,7-dimethyl-1,8-naphthyridine: structure in first source | 2.15 | 1 | 0 | | |
5-benzyloxytryptophan
[no description available] | 2.15 | 1 | 0 | | |
2,5-diethoxy-4-morpholinoaniline
2,5-diethoxy-4-morpholinoaniline: structure in first source | 2.15 | 1 | 0 | | |
3-hydroxy-3-phenacyloxindole
[no description available] | 2.15 | 1 | 0 | | |
zpck
ZPCK: alkylates histidine residue at active center of bovine chymotrypsin | 2.31 | 1 | 0 | | |
carbobenzoxyphenylalanine, (dl-phe)-isomer
[no description available] | 2.15 | 1 | 0 | | |
tingenone
tingenone: quinonoid triterpene isolated from Euonymus tingens | 2.31 | 1 | 0 | | |
gamma-fagarine
gamma-fagarine: active alkaloid of Chinese medicines from Dictamni radicis cortex (Rutaceae); structure given in first source | 2.15 | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
tanshinone
tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | 2.31 | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
3-carboxymethyl-6-benzyl-2,5-diketopiperazine
3-carboxymethyl-6-benzyl-2,5-diketopiperazine: formed in aqueous solution by aspartame; structure given in first source | 2.15 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
4-fluorobenzenesulfonamide
4-fluorobenzenesulfonamide: structure given in first source | 2.15 | 1 | 0 | | |
emoxypine succinate
emoxypine succinate: has antihypoxic effects | 2.15 | 1 | 0 | | |
celastrol
[no description available] | 2.31 | 1 | 0 | monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite |
n-carbamyltryptophan
N-carbamyltryptophan: RN given refers to (D)-isomer | 2.15 | 1 | 0 | | |
2,4,6-trimethoxyacetophenone
2,4,6-trimethoxyacetophenone: structure in first source | 2.15 | 1 | 0 | | |
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole
1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source | 2.15 | 1 | 0 | | |
4-methyoxybenzoyl-n-glycine
[no description available] | 2.15 | 1 | 0 | N-acylglycine | |
5-ethoxy-2-ethylmercaptobenzimidazole
5-ethoxy-2-ethylmercaptobenzimidazole: has activating effect on peritoneal macrophages; RN given does not give position for ethoxy group | 2.15 | 1 | 0 | | |
5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester
[no description available] | 2.15 | 1 | 0 | | |
n-phenyliminodiacetic acid
[no description available] | 2.15 | 1 | 0 | | |
teomorfolin
teomorfolin: structure given in first source | 2.15 | 1 | 0 | | |
1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone
[no description available] | 2.15 | 1 | 0 | benzodioxoles | |
n-(aminocarbonyl)-2-chlorobenzenesulfonamide
[no description available] | 2.15 | 1 | 0 | | |
3-hydroxy-2-quinoxalinepropionic acid
[no description available] | 2.15 | 1 | 0 | | |
8-(methylsulfonylamino)quinoline
8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source | 2.15 | 1 | 0 | | |
moxifloxacin
Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent.. moxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents. | 2.31 | 1 | 0 | aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug |
celastrol methyl ester
celastrol methyl ester: isolated from Tripterygium wilfordii; potent inhibitory activity on both Kir2.1 and ERG1 potassium channels, leading to LONG QT SYNDROME | 2.31 | 1 | 0 | carboxylic ester | |
miltirone
miltirone: from Salvis miltiorrhiza Bunge; central benzodiazepine receptor ligand; structure given in first source | 2.31 | 1 | 0 | abietane diterpenoid | |
cryptotanshinone
cryptotanshinone: from Salvia miltiorrhiza | 2.31 | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
n(4)-acetylsulfamonomethoxine
N(4)-acetylsulfamonomethoxine: main urinary metabolite of sulfamonomethoxine in pigs | 2.15 | 1 | 0 | | |
8-(4-benzenesulfonylamino)quinoline
8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source | 2.15 | 1 | 0 | | |
methindione
methindione: used in treatment of epilepsy; RN given refers to parent cpd; structure | 2.15 | 1 | 0 | | |
tanshinone ii a
tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source | 2.31 | 1 | 0 | abietane diterpenoid | |
2-phenyl-1,2-benzisothiazol-3-(2h)-one
2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen | 2.31 | 1 | 0 | | |
3,4-dihydroxybenzophenone
3,4-dihydroxybenzophenone: structure in first source | 2.15 | 1 | 0 | | |
gamma-propanol
[no description available] | 2.15 | 1 | 0 | | |
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile
[no description available] | 2.15 | 1 | 0 | benzenes;
nitrile | |
carboxyebselen
carboxyebselen: a nitric oxide synthase inhibitor | 2.31 | 1 | 0 | | |
isonicotinylamide gaba
[no description available] | 2.15 | 1 | 0 | | |
5-fluorotryptamine monohydrochloride
[no description available] | 2.15 | 1 | 0 | | |
4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide
4-iodo-N-(2-(4-morpholinyl)ethyl)benzamide: the iodinated analog of moclobemide; structure given in first source | 2.15 | 1 | 0 | | |
3-(hydroxyacetyl)indole
3-(hydroxyacetyl)indole: structure in first source | 2.15 | 1 | 0 | indoles | |
n-(4-aminophenylsulfonyl)morpholine
compound 82 208: structure given in first source | 2.15 | 1 | 0 | | |
1H-indol-3-yl-(4-methoxyphenyl)methanone
[no description available] | 2.15 | 1 | 0 | N-acylindole | |
darunavir
Darunavir: An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.. darunavir : An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors. | 2.31 | 1 | 0 | carbamate ester;
furofuran;
sulfonamide | antiviral drug;
HIV protease inhibitor |
1-methylpropyl-2-imidazolyl disulfide
1-methylpropyl-2-imidazolyl disulfide: a thioredoxin inhibitor with antineoplastic activity | 2.31 | 1 | 0 | imidazoles | |
2-amino-5-phenyl-1,3,4-thiadiazole
2-amino-5-phenyl-1,3,4-thiadiazole: structure in first source | 2.15 | 1 | 0 | | |
N-(1-phenylethyl)acetamide
N-(1-phenylethyl)acetamide : A member of the class of acetamides resulting from the formal condensation of the amino group of 1-phenylethylamine with 1 mol eq. of acetic acid. | 2.15 | 1 | 0 | acetamides;
secondary carboxamide | |
alpha-(trichloromethyl)-4-pyridineethanol
alpha-(trichloromethyl)-4-pyridineethanol: activates caspase-3 | 2.15 | 1 | 0 | pyridines | |
ml 204
ML 204: modulates both TRPC4 and TRPC5 channels; structure in first source | 2.15 | 1 | 0 | | |
eudesmin
eudesmin: RN refers to (1R-(1alpha,3aalpha,4alpha,6aalpha))-isomer; structure given in first source; very similar to pinoresinol | 2.15 | 1 | 0 | | |
2-amino-4-methyl-3-nitropyridine
[no description available] | 2.15 | 1 | 0 | | |
4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline
4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline: Anticonvulsant | 2.15 | 1 | 0 | | |
nsc 95397
[no description available] | 2.31 | 1 | 0 | 1,4-naphthoquinones | |
n-acetylhistidine
[no description available] | 2.15 | 1 | 0 | histidine derivative;
N-acetyl-amino acid | |
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid
[no description available] | 2.15 | 1 | 0 | acetamides | |
1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea
[no description available] | 2.15 | 1 | 0 | ureas | |
4-methoxyxanthone
4-methoxyxanthone: a vasodilator; structure in first source | 2.15 | 1 | 0 | | |
N-(4-nitrophenyl)-2-phenoxyacetamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
1-phenylindolin-2-one
1-phenylindolin-2-one: structure in first source | 2.15 | 1 | 0 | | |
1-(benzenesulfonyl)indole
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
[no description available] | 2.15 | 1 | 0 | dihydropyridine | |
pifithrin mu
2-phenylacetylenesulfonamide: induces p53-independent apoptotic killing of B-chronic lymphocytic leukemia cells; also inhibits Hsp70 and autophagy | 2.15 | 1 | 0 | benzenes | |
2-benzyloxybenzaldehyde
[no description available] | 2.15 | 1 | 0 | | |
2-guanidine-4-methylquinazoline
2-guanidine-4-methylquinazoline: structure given in first source | 2.15 | 1 | 0 | | |
N-phenylcarbamic acid 2-phenoxyethyl ester
[no description available] | 2.15 | 1 | 0 | carbamate ester | |
nsc 663284
NSC 663284: structure in first source | 2.31 | 1 | 0 | quinolone | |
3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
mequindox
Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source | 2.15 | 1 | 0 | | |
N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
[no description available] | 2.15 | 1 | 0 | diarylmethane | |
abacavir
abacavir: a carbocyclic nucleoside with potent selective anti-HIV activity. abacavir : A 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection. | 2.31 | 1 | 0 | 2,6-diaminopurines | antiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor |
ferruginol
ferruginol: structure in first source. ferruginol : An abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12. | 2.31 | 1 | 0 | abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols | antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent |
isopimaric acid
isopimaric acid: isolated from the bark of Illicium jadifengpi | 2.31 | 1 | 0 | carbotricyclic compound;
diterpenoid;
monocarboxylic acid | |
Girgensonine
[no description available] | 2.15 | 1 | 0 | nitrile | |
Dubinidine
[no description available] | 2.15 | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
acetylleucyl-leucyl-norleucinal
acetylleucyl-leucyl-norleucinal: a proteasome inhibitor. acetylleucyl-leucyl-norleucinal : A tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence. | 2.31 | 1 | 0 | aldehyde;
tripeptide | cysteine protease inhibitor |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 2.05 | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
gw 3965
GW 3965: a liver X receptor ligand | 2.31 | 1 | 0 | diarylmethane | |
N-[4-(methanesulfonamido)phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
benzyloxycarbonylleucyl-leucyl-leucine aldehyde
benzyloxycarbonylleucyl-leucyl-leucine aldehyde: proteasome inhibitor. N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal : A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative. | 2.31 | 1 | 0 | amino aldehyde;
carbamate ester;
tripeptide | proteasome inhibitor |
tenofovir
tenofovir (anhydrous) : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection. | 2.31 | 1 | 0 | nucleoside analogue;
phosphonic acids | antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor |
4-(2-oxazolo[4,5-b]pyridinyl)aniline
[no description available] | 2.15 | 1 | 0 | 1,3-oxazoles | |
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole
[no description available] | 2.15 | 1 | 0 | benzoxazole | |
1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamide
[no description available] | 2.31 | 1 | 0 | indolecarboxamide | anticoronaviral agent |
3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium
[no description available] | 2.15 | 1 | 0 | pyridazines | |
3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone
[no description available] | 2.15 | 1 | 0 | substituted aniline | |
1-phenyl-4-pyrazolol
[no description available] | 2.15 | 1 | 0 | pyrazoles;
ring assembly | |
3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide
[no description available] | 2.15 | 1 | 0 | benzothiazoles | |
3-benzamido-2-benzofurancarboxamide
[no description available] | 2.15 | 1 | 0 | benzofurans | |
N-[2-(4-methoxyphenyl)ethyl]acetamide
[no description available] | 2.15 | 1 | 0 | acetamides | |
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
2-(1H-indol-3-ylthio)acetic acid
[no description available] | 2.15 | 1 | 0 | indoles | |
3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
organohalogen compound | |
3-Methylbenzofuran-2-carboxylic acid
[no description available] | 2.15 | 1 | 0 | benzofurans | |
5-(3,4-dimethoxyphenyl)-2H-tetrazole
[no description available] | 2.15 | 1 | 0 | tetrazoles | |
1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
[no description available] | 2.15 | 1 | 0 | alkylbenzene | |
2-phenylindole-3-carbaldehyde
2-phenylindole-3-carbaldehyde: structure in first source | 2.15 | 1 | 0 | | |
4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine
[no description available] | 2.15 | 1 | 0 | aryl sulfide | |
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline
[no description available] | 2.15 | 1 | 0 | pyrimidines | |
7-methoxyisoflavone
7-methoxyisoflavone : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7. | 2.15 | 1 | 0 | 7-methoxyisoflavones | |
LSM-32392
[no description available] | 2.15 | 1 | 0 | monoterpenoid | |
N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-acetamido-5-chloro-2-benzofurancarboxylic acid
[no description available] | 2.15 | 1 | 0 | benzofurans | |
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone
[no description available] | 2.15 | 1 | 0 | dimethoxybenzene | |
4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine
[no description available] | 2.15 | 1 | 0 | N-arylpiperazine | |
haplamine
haplamine: isolated from Haplophyllum acutifolium; structure in first source | 2.15 | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
[no description available] | 2.15 | 1 | 0 | triazoles | |
2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid
[no description available] | 2.15 | 1 | 0 | quinolines | |
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and pyrrolidin-1-yl groups, respectively. | 2.15 | 1 | 0 | pyridines;
pyrrolidines;
quinazolines | |
scp 1
[no description available] | 2.15 | 1 | 0 | | |
N-(3-acetamidophenyl)-4-methoxybenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-(3-acetamidophenyl)-3-chlorobenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
3,4-methylenedioxy-beta-nitrostyrene
3,4-methylenedioxy-beta-nitrostyrene: tyrosine kinase inhibitor that prevents platelet glycoprotein IIb/IIIa activation; structure in first source | 2.46 | 2 | 0 | | |
N-(2-fluorophenyl)-4-phenylmethoxybenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-[4-(diethylamino)phenyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
N-(2-furanylmethyl)-2-benzofurancarboxamide
[no description available] | 2.15 | 1 | 0 | benzofurans | |
5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
[no description available] | 2.15 | 1 | 0 | aromatic amine;
thiadiazoles | |
te 5
[no description available] | 2.15 | 1 | 0 | | |
2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide
[no description available] | 2.15 | 1 | 0 | ureas | |
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine
[no description available] | 2.15 | 1 | 0 | benzothiazoles | |
6-methylflavone
6-methylflavone: structure in first source | 2.15 | 1 | 0 | | |
2-methoxy-N-(2-pyridinyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
2-chloro-N-(2-phenylethyl)benzamide
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
organohalogen compound | |
N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
organohalogen compound | |
tioxazafen
tioxazafen : A 1,2,4-oxadizole in which the hydrogens at positions 3 and 5 have been replaced by phenyl and thiophen-2-yl groups, respectively. It is used as a broad spectrum nematicidal seed treatment. | 2.15 | 1 | 0 | 1,2,4-oxadiazole;
thiophenes | agrochemical;
nematicide |
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
brd32048
BRD32048: inhibits ETV1 oncoprotein; structure in first source | 2.15 | 1 | 0 | methoxybenzenes;
substituted aniline | |
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine
[no description available] | 2.15 | 1 | 0 | imidazoles | |
5-(2-phenyl-4-triazolyl)-2H-tetrazole
[no description available] | 2.15 | 1 | 0 | triazoles | |
N-cyclohexyl-2,3-dihydroindole-1-carboxamide
[no description available] | 2.15 | 1 | 0 | indolyl carboxylic acid | |
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine : A thienopyrimidine that is thieno[2,3-d]pyrimidine which is substituted at position 4 by a benzylsulfanediyl group. | 2.15 | 1 | 0 | aryl sulfide;
benzenes;
thienopyrimidine | |
2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone
[no description available] | 2.15 | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide
[no description available] | 2.15 | 1 | 0 | indolecarboxamide | |
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
4-(1H-benzimidazol-2-yl)quinoline
[no description available] | 2.15 | 1 | 0 | quinolines | |
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(2,5-dimethylphenyl)-2-benzofurancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
N-(4-methoxyphenyl)-2-benzofurancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
2-(9h-xanthen-9-yl)-malonic acid
[no description available] | 2.15 | 1 | 0 | xanthenes | |
1-(1,3-benzothiazol-2-yl)-3-phenylurea
[no description available] | 2.15 | 1 | 0 | ureas | |
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one
[no description available] | 2.15 | 1 | 0 | imidazoles | |
N-(4-acetamidophenyl)-2-bromobenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
4-bromo-N-phenacylbenzamide
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone
[no description available] | 2.15 | 1 | 0 | indoles | |
N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide
[no description available] | 2.15 | 1 | 0 | triazoles | |
N,N-dimethyl-N'-p-tolylsulfamide
N,N-dimethyl-N'-p-tolylsulfamide : A member of the class of sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid. | 2.15 | 1 | 0 | sulfamides | marine xenobiotic metabolite |
2-(1-piperidinylmethyl)phenol
2-(1-piperidinylmethyl)phenol: structure in first source | 2.15 | 1 | 0 | | |
2,6-bis(benzimidazol-2-yl)pyridine
2,6-bis(benzimidazol-2-yl)pyridine: structure in first source | 2.15 | 1 | 0 | benzimidazoles | |
1-cyclohexyl-3-(2-phenylethyl)urea
[no description available] | 2.15 | 1 | 0 | benzenes | |
1-(3,5-dichlorophenyl)-3-phenylurea
[no description available] | 2.15 | 1 | 0 | ureas | |
1-(cyclohexylmethyl)-4-phenylpiperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
N-phenethyl-2-furamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
heteroarene | |
paromomycin sulfate
[no description available] | 2.15 | 1 | 0 | | |
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine
[no description available] | 2.15 | 1 | 0 | aralkylamine | |
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | monoterpenoid | |
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile
[no description available] | 2.15 | 1 | 0 | nitrile;
pyridines | |
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
vu0099704
VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source | 2.15 | 1 | 0 | | |
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
[no description available] | 2.15 | 1 | 0 | pyrazoles;
ring assembly | |
1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline
[no description available] | 2.15 | 1 | 0 | triazoles | |
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide
[no description available] | 2.15 | 1 | 0 | pyrroloquinoline | |
2-methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole
[no description available] | 2.15 | 1 | 0 | aryl sulfide | |
5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido(3,2-b)indole-3-carbonitrile
VRX-413638: structure in first source | 2.15 | 1 | 0 | | |
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
2-fluoro-N-phenacylbenzamide
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile
[no description available] | 2.15 | 1 | 0 | nitrile;
pyridines | |
1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
thiol | |
GS4012 free base
GS4012 free base : A member of the class of pyridines that is 2-(pyridin-4-yl)ethane-1-thiol in which the thiol hydrogen is replaced by a 4-methoxyphenyl group. | 2.15 | 1 | 0 | aryl sulfide;
monomethoxybenzene;
pyridines | VEGF activator |
N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide : An amino acid amide obtained by the formal condensation of 2,6-dimethylaniline with N-(3,5-dimethylphenyl)glycine. | 2.15 | 1 | 0 | amino acid amide;
glycine derivative | |
2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine
[no description available] | 2.15 | 1 | 0 | N-arylpiperazine | |
1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
4-Piperidinobenzoic acid
[no description available] | 2.15 | 1 | 0 | piperidines | |
1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide
[no description available] | 2.15 | 1 | 0 | pyrroloquinoline | |
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
[no description available] | 2.15 | 1 | 0 | benzodioxine | |
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine: an SK channel inhibitor | 2.15 | 1 | 0 | | |
8-(3,5-dimethyl-1-pyrazolyl)quinoline
[no description available] | 2.15 | 1 | 0 | quinolines | |
2'-nitroflavone
2'-nitroflavone: has antineoplastic activity | 2.15 | 1 | 0 | | |
N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine
[no description available] | 2.15 | 1 | 0 | aminoquinoline | |
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one
[no description available] | 2.15 | 1 | 0 | aromatic compound | |
vrt 532
VRT 532: a CFTR potentiator; structure in first source | 2.15 | 1 | 0 | | |
4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol
[no description available] | 2.15 | 1 | 0 | piperazines | |
1-piperonylpiperidine
1-piperonylpiperidine: an AMPA receptor modulator; structure in first source | 2.15 | 1 | 0 | | |
2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol
[no description available] | 2.15 | 1 | 0 | aromatic amine | |
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol
[no description available] | 2.15 | 1 | 0 | aromatic amine | |
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
[no description available] | 2.15 | 1 | 0 | pyrazolopyrimidine | |
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
[no description available] | 2.15 | 1 | 0 | imidazoles | |
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
[no description available] | 2.15 | 1 | 0 | aryl sulfide | |
5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine
[no description available] | 2.15 | 1 | 0 | benzoxazole | |
1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
[no description available] | 2.15 | 1 | 0 | ureas | |
2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid
[no description available] | 2.15 | 1 | 0 | N-acylglycine | |
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(3-acetamidophenyl)-2-chlorobenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine
[no description available] | 2.15 | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
2-bromo-N-(3-methoxyphenyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol
[no description available] | 2.15 | 1 | 0 | aromatic ether;
C-nitro compound | |
3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea
[no description available] | 2.15 | 1 | 0 | quinoxaline derivative | |
2-(dimethylsulfamoylamino)-9H-fluorene
[no description available] | 2.15 | 1 | 0 | fluorenes | |
4-chloro-1-ethyl-3-nitro-2-quinolinone
[no description available] | 2.15 | 1 | 0 | nitro compound;
quinolines | |
4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinone
[no description available] | 2.15 | 1 | 0 | quinolines | |
2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde
[no description available] | 2.15 | 1 | 0 | arenecarbaldehyde | |
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
[no description available] | 2.15 | 1 | 0 | stilbenoid | |
4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide
[no description available] | 2.15 | 1 | 0 | triazoles | |
N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
[no description available] | 2.15 | 1 | 0 | anilide | |
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
[no description available] | 2.15 | 1 | 0 | organofluorine compound | |
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide
[no description available] | 2.15 | 1 | 0 | phthalazines | |
N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | phthalimides | |
6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline
[no description available] | 2.15 | 1 | 0 | quinolines | |
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
[no description available] | 2.15 | 1 | 0 | stilbenoid | |
5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
[no description available] | 2.15 | 1 | 0 | oxadiazole;
ring assembly | |
5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole
[no description available] | 2.15 | 1 | 0 | pyridines | |
2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione
[no description available] | 2.15 | 1 | 0 | phthalimides | |
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
[no description available] | 2.15 | 1 | 0 | carbazoles | |
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide
[no description available] | 2.15 | 1 | 0 | primary carboxamide;
pyrazines;
secondary carboxamide | |
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | benzodioxoles | |
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
[no description available] | 2.15 | 1 | 0 | benzodioxine | |
8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline
[no description available] | 2.15 | 1 | 0 | aryl sulfide | |
1-[2-(2-chlorophenoxy)ethyl]benzimidazole
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
[no description available] | 2.15 | 1 | 0 | triazolopyridazine | |
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
oncrasin-1
oncrasin-1: an antineoplastic agent; structure in first source. oncrasin-1 : A member of the class of indoles that is 1H-indole substituted by 4-chlorobenzyl and formyl groups at positions 1 and 3, respectively. It is an anti-cancer agent that is active against lung cancer cells with K-Ras mutations. | 2.15 | 1 | 0 | arenecarbaldehyde;
indoles;
monochlorobenzenes | antineoplastic agent;
apoptosis inducer |
N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-(4-anilinophenyl)-2-methylpropanamide
[no description available] | 2.15 | 1 | 0 | anilide | |
N-(2-fluorophenyl)-3-phenylpropanamide
[no description available] | 2.15 | 1 | 0 | anilide | |
1-[(Phenylthio)acetyl]piperidine
[no description available] | 2.15 | 1 | 0 | N-acylpiperidine | |
N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
[no description available] | 2.15 | 1 | 0 | oxadiazole;
ring assembly | |
4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid
[no description available] | 2.15 | 1 | 0 | trihydroxybenzoic acid | |
4-(4-morpholinylmethyl)-3-quinolinol
[no description available] | 2.15 | 1 | 0 | quinolines | |
2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione
[no description available] | 2.15 | 1 | 0 | naphthofuran | |
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
heteroarene | |
1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide
[no description available] | 2.15 | 1 | 0 | acetamides | |
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-propylsulfonyl-4-(2-pyridinyl)piperazine
[no description available] | 2.15 | 1 | 0 | piperazines;
pyridines | |
2-(2-phenylethylthio)-3-pyridinecarboxylic acid
[no description available] | 2.15 | 1 | 0 | aromatic carboxylic acid;
pyridines | |
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | thiazoles | |
1-cyclohexyl-3-(3-ethylphenyl)urea
[no description available] | 2.15 | 1 | 0 | ureas | |
n-phenylpiracetam
N-phenylpiracetam: structure given in first source | 2.15 | 1 | 0 | | |
2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide
[no description available] | 2.15 | 1 | 0 | biphenyls | |
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
curcumin
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.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. | 2.31 | 1 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide
[no description available] | 2.15 | 1 | 0 | isoquinolines | |
5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid
[no description available] | 2.15 | 1 | 0 | benzamides | |
1,4-bis(thiophen-2-ylsulfonyl)piperazine
[no description available] | 2.15 | 1 | 0 | N-sulfonylpiperazine;
thiophenes | |
2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide: inhibits the betaine-GABA transporter 1; structure in first source | 2.15 | 1 | 0 | | |
2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone
[no description available] | 2.15 | 1 | 0 | quinazolines | |
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea
[no description available] | 2.15 | 1 | 0 | morpholines | |
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate : A sulfonamide in which the nitrogen carries methyl and 2-[4-(ethoxycarbonyl)piperazin-1-yl]-2-oxoethyl substituents and the sulfonyl a 4-chlorophenyl group. | 2.15 | 1 | 0 | carbamate ester;
sulfonamide | |
LSM-4563
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline
[no description available] | 2.15 | 1 | 0 | piperazines;
pyridines | |
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
[no description available] | 2.15 | 1 | 0 | quinolines | |
N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine
[no description available] | 2.15 | 1 | 0 | tetrazoles | |
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide
[no description available] | 2.15 | 1 | 0 | 1,3-oxazoles | |
2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone
[no description available] | 2.15 | 1 | 0 | piperazines;
pyridines | |
2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol
[no description available] | 2.15 | 1 | 0 | thiazolopyrimidine | |
3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid
[no description available] | 2.15 | 1 | 0 | benzamides | |
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
[no description available] | 2.15 | 1 | 0 | acetamides | |
5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid
[no description available] | 2.15 | 1 | 0 | methoxybenzoic acid | |
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
stk295900
[no description available] | 2.15 | 1 | 0 | | |
1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
[no description available] | 2.15 | 1 | 0 | piperazines | |
2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | pyridazines;
ring assembly | |
1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
[no description available] | 2.15 | 1 | 0 | ureas | |
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine
[no description available] | 2.15 | 1 | 0 | phthalazines | |
cis-resveratrol
cis-resveratrol : The cis-stereoisomer of resveratrol. | 2.05 | 1 | 0 | resveratrol | |
1-phenyl-2-nitropropene
1-phenyl-2-nitropropene: RN given refers to cpd without isomeric designation | 2.25 | 1 | 0 | | |
SMER 28
SMER 28 : A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy. | 2.15 | 1 | 0 | organobromine compound;
quinazolines;
secondary amino compound | autophagy inducer |
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester
[no description available] | 2.15 | 1 | 0 | morpholines | |
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
4-(4-chlorophenoxy)-1-(1-piperidinyl)-1-butanone
[no description available] | 2.15 | 1 | 0 | N-acylpiperidine | |
N-(3-phenylpropyl)methanesulfonamide
[no description available] | 2.15 | 1 | 0 | benzenes | |
chlorogenic acid
caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | 2.31 | 1 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
4-acetamido-N-(2-methoxyethyl)benzamide
[no description available] | 2.15 | 1 | 0 | amidobenzoic acid | |
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone
[no description available] | 2.15 | 1 | 0 | quinolines | |
5-bromo-N-(2-phenylphenyl)-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone
[no description available] | 2.15 | 1 | 0 | aralkylamine | |
4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
[no description available] | 2.15 | 1 | 0 | piperazinecarboxylic acid | |
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid
[no description available] | 2.15 | 1 | 0 | benzamides | |
1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | biphenyls | |
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4H-1-benzopyran-4-one: structure in first source | 2.15 | 1 | 0 | | |
2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol
[no description available] | 2.15 | 1 | 0 | nitrophenol | |
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine
[no description available] | 2.15 | 1 | 0 | quinazolines | |
2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one
[no description available] | 2.15 | 1 | 0 | aromatic ketone | |
5-(4-Chloro-benzenesulfonyl)-pyrimidine-2,4-diamine
[no description available] | 2.31 | 1 | 0 | sulfonic acid derivative | anticoronaviral agent |
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
[no description available] | 2.31 | 1 | 0 | acetylenic compound;
furans;
organofluorine compound;
thioester;
triazoles | |
Methyl(2-furoylamino)acetic acid
[no description available] | 2.15 | 1 | 0 | N-acyl-amino acid | |
5-nitro-8-(1-pyrrolidinyl)quinoline
[no description available] | 2.15 | 1 | 0 | nitro compound;
quinolines | |
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide
[no description available] | 2.15 | 1 | 0 | amino acid amide | |
2-[(4-methylphenyl)sulfonylamino]pentanoic acid
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine
4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine: an mTOR activator; structure in first source | 2.15 | 1 | 0 | | |
1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide
[no description available] | 2.15 | 1 | 0 | piperidines | |
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone
[no description available] | 2.15 | 1 | 0 | acetamides | |
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine
[no description available] | 2.15 | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
(3,5-Dimethyl-1-adamantyl)amine nitrate
[no description available] | 2.15 | 1 | 0 | nitrates | |
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol
[no description available] | 2.15 | 1 | 0 | alkylbenzene | |
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine
[no description available] | 2.15 | 1 | 0 | N-alkylpyrrolidine | |
4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine
[no description available] | 2.15 | 1 | 0 | aralkylamine | |
N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid
[no description available] | 2.15 | 1 | 0 | anilide | |
3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide
[no description available] | 2.15 | 1 | 0 | monoterpenoid | |
4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide
[no description available] | 2.15 | 1 | 0 | carbonyl compound;
organohalogen compound | |
2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid
[no description available] | 2.15 | 1 | 0 | benzodioxine | |
2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol
[no description available] | 2.15 | 1 | 0 | aromatic compound | |
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
[no description available] | 2.15 | 1 | 0 | organochlorine compound;
pyranopyrazole | |
1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol
[no description available] | 2.15 | 1 | 0 | benzimidazoles | |
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide
[no description available] | 2.15 | 1 | 0 | hydroxyquinoline | |
N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
furans | |
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
[no description available] | 2.15 | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | |
1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
[no description available] | 2.15 | 1 | 0 | anilide | |
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
[no description available] | 2.15 | 1 | 0 | organosulfur heterocyclic compound | |
[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone
[no description available] | 2.15 | 1 | 0 | aromatic amide;
thiophenes | |
[4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone
[no description available] | 2.15 | 1 | 0 | piperazines | |
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
heteroarene | |
4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine
[no description available] | 2.15 | 1 | 0 | piperazines | |
5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline
[no description available] | 2.15 | 1 | 0 | piperazines | |
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide
[no description available] | 2.15 | 1 | 0 | benzothiazoles | |
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | nitro compound;
quinolines | |
1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide
[no description available] | 2.15 | 1 | 0 | benzamides | |
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene
BRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM). | 2.15 | 1 | 0 | C-nitro compound;
sulfonamide;
toluenes | bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector |
6,3',4'-Trimethoxyflavanone
[no description available] | 2.15 | 1 | 0 | ether;
flavonoids | |
1-[4-(3-ethoxyphenoxy)butyl]imidazole
[no description available] | 2.15 | 1 | 0 | aromatic ether | |
5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole
[no description available] | 2.15 | 1 | 0 | oxadiazole;
ring assembly | |
2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
[no description available] | 2.15 | 1 | 0 | phthalimides | |
[4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide
[no description available] | 2.15 | 1 | 0 | amidobenzoic acid | |
6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide
2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide: a tissue-nonspecific alkaline phosphatase inhibitor; structure in first source | 2.15 | 1 | 0 | quinolines | |
LSM-25805
[no description available] | 2.15 | 1 | 0 | isoindoles | |
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | quinolines | |
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide
[no description available] | 2.15 | 1 | 0 | 1-benzothiophenes | |
nsc 727447
NSC 727447: structure in first source | 2.15 | 1 | 0 | | |
telaprevir
[no description available] | 2.31 | 1 | 0 | cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic |
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
[no description available] | 2.15 | 1 | 0 | acetamides | |
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound;
thiazoles | |
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine
[no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide
[no description available] | 2.15 | 1 | 0 | pyrrolidines | |
N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
[no description available] | 2.31 | 1 | 0 | aromatic amide;
furans | anticoronaviral agent |
3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide
[no description available] | 2.15 | 1 | 0 | sulfonamide | |
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
8-(Trifluoromethyl)-9H-purin-6-amine
[no description available] | 2.31 | 1 | 0 | 6-aminopurines | anticoronaviral agent |
l 663536
MK-886: orally active leukotriene biosynthesis inhibitor. 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase. | 2.31 | 1 | 0 | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist |
2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide
[no description available] | 2.15 | 1 | 0 | nitrophenol | |
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
[no description available] | 2.15 | 1 | 0 | quinolines | |
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
[no description available] | 2.15 | 1 | 0 | C-nitro compound | |
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one: an estrogen receptor alpha inhibitor | 2.15 | 1 | 0 | | |
suramin sodium
suramin(6-) : An organosulfate oxoanion that is the hexanion of suramin resulting from the deprotonation of the six sulfo groups; major species at pH 7.3. | 2.31 | 1 | 0 | organosulfate oxoanion | |
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione: a GSK3beta inhibitor. TDZD-8 : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta). An experimental compound which was being developed for the potential treatment of Alzheimer's disease. | 2.31 | 1 | 0 | benzenes;
thiadiazolidine | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide | |
sitagliptin
sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity. | 2.31 | 1 | 0 | triazolopyrazine;
trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic |
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide
[no description available] | 2.15 | 1 | 0 | aromatic amide;
thiazoles | |
ex 527
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. | 2.15 | 1 | 0 | carbazoles;
monocarboxylic acid amide;
organochlorine compound | |
ginkgetin
ginkgetin: from Cephalotaxus drupacea; biflavone; active against HSV-1; structure given in first source. ginkgetin : A biflavonoid that is the 7,4'-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2. | 2.31 | 1 | 0 | biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly | anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite |
quercetin
[no description available] | 2.31 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
apigenin
Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | 2.31 | 1 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
luteolin
[no description available] | 2.31 | 1 | 0 | 3'-hydroxyflavonoid;
tetrahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist |
amentoflavone
[no description available] | 2.31 | 1 | 0 | biflavonoid;
hydroxyflavone;
ring assembly | angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite |
baicalein
[no description available] | 2.31 | 1 | 0 | trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger |
sciadopitysin
sciadopitysin: biflavonoid from Taxus celebica & Ginkgo biloba. sciadopitysin : A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone. | 2.31 | 1 | 0 | biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly | bone density conservation agent;
platelet aggregation inhibitor |
scutellarein
scutellarein: aglycone of scutellarin from Scutellaria baicalensis; carthamidin is 2S isomer of scutellarein; do not confuse with isoscutellarein and/or isocarthamidin which are respective regioisomers, or with the scutelarin protein. scutellarein : Flavone substituted with hydroxy groups at C-4', -5, -6 and -7. | 2.31 | 1 | 0 | tetrahydroxyflavone | metabolite |
beta-nitrostyrene
beta-nitrostyrene: RN given refers to cpd without isomeric designation | 2.77 | 3 | 0 | | |
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one
[no description available] | 2.15 | 1 | 0 | indoles | |
benzyloxycarbonyl-phe-ala-fluormethylketone
cathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1). | 2.31 | 1 | 0 | | |
bilobetin
bilobetin: a phospholipase A2 antagonist | 2.31 | 1 | 0 | flavonoid oligomer | |
4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
[no description available] | 2.15 | 1 | 0 | phenylpyridine | |
3-methylharman
[no description available] | 2.15 | 1 | 0 | | |
fosbretabulin
[no description available] | 2.05 | 1 | 0 | stilbenoid | |
indinavir sulfate
Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability. | 2.31 | 1 | 0 | dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide | HIV protease inhibitor |
1-methyl-beta-carboline-3-carboxylic acid
1-methyl-beta-carboline-3-carboxylic acid: metabolite from cows fed with corn silage; structure in first source | 2.15 | 1 | 0 | | |
cinanserin
Cinanserin: A serotonin antagonist with limited antihistaminic, anticholinergic, and immunosuppressive activity.. cinanserin : An aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication. | 2.31 | 1 | 0 | aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound | anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide
N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide : A tripeptide resulting from the formal condensation of the carboxy group of N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valine with the amino group of benzyl (2E,4S)-4-(L-leucylamino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate. It is an inhibitor of the main protease of SARS-CoV-2. | 2.31 | 1 | 0 | benzyl ester;
isoxazoles;
pyrrolidin-2-ones;
tripeptide | anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
Ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
[no description available] | 2.31 | 1 | 0 | dipeptide | anticoronaviral agent |
mdl 201053
MDL 201053: Immunosuppressive Agent; RN given refers to compound with no isomeric designation | 2.31 | 1 | 0 | | |
5-Chloro-3-pyridinyl 2-furoate
[no description available] | 2.31 | 1 | 0 | carboxylic ester | anticoronaviral agent |
sp 100030
N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide: transcription factor inhibitor specific to T-cells | 2.31 | 1 | 0 | | |
gw0742
GW 610742: structure in first source | 2.31 | 1 | 0 | monocarboxylic acid | |
benzyloxycarbonyl-isoleucyl-glutamyl(o-tert-butyl)-alanyl-leucinal
benzyloxycarbonyl-isoleucyl-glutamyl(O-tert-butyl)-alanyl-leucinal: inhibits chymotrypsin activity of the proteasome | 2.31 | 1 | 0 | | |
sepantronium
sepantronium: a survivin suppressant with antineoplastic activity. sepantronium : An organic cation that is 1-(2-methoxyethyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione in which the nitrogen at position 3 of the napthoimidazole moiety has been alkylated by a pyrazin-2-ylmethyl group. | 2.31 | 1 | 0 | organic cation | |
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-carboxamide
boceprevir : 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. | 2.31 | 1 | 0 | tripeptide;
ureas | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic |
triptohypol C
triptohypol C : A pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii. | 2.31 | 1 | 0 | benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid | apoptosis inducer;
plant metabolite |
2-(4-chlorophenyl)-1,2-benzothiazol-3-one
[no description available] | 2.31 | 1 | 0 | benzothiazoles | |
np 031112
tideglusib: an NSAID and neuroprotective agent. tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy. | 2.31 | 1 | 0 | benzenes;
naphthalenes;
thiadiazolidine | anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
Dihydrotanshinone I
dihydrotanshinone I: extracted from Radix Salviae | 2.31 | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
mk-0893
[no description available] | 2.31 | 1 | 0 | | |
Benzotriazol-1-yl 1H-indole-5-carboxylate
[no description available] | 2.31 | 1 | 0 | indolyl carboxylic acid | anticoronaviral agent |
tannins
gallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose). | 2.31 | 1 | 0 | tannin | |
oritavancin
oritavancin : A semisynthetic glycopeptide used (as its bisphosphate salt) for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms including MRSA. | 2.31 | 1 | 0 | disaccharide derivative;
glycopeptide;
semisynthetic derivative | antibacterial drug;
antimicrobial agent |
5-Bromopyridin-3-yl furan-2-carboxylate
[no description available] | 2.31 | 1 | 0 | carboxylic ester | anticoronaviral agent |
(5-Chloropyridin-3-yl) 1H-indole-5-carboxylate
[no description available] | 2.31 | 1 | 0 | indolyl carboxylic acid | anticoronaviral agent |
5-Chloropyridin-3-yl 1H-indole-2-carboxylate
[no description available] | 2.31 | 1 | 0 | indolyl carboxylic acid | anticoronaviral agent |
phenylmercuric acetate
Phenylmercuric Acetate: A phenyl mercury compound used mainly as a fungicide. Has also been used as a herbicide, slimicide, and bacteriocide. | 2.31 | 1 | 0 | arylmercury compound;
benzenes | |
thimerosal
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.. thimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent. | 2.31 | 1 | 0 | alkylmercury compound | antifungal drug;
antiseptic drug;
disinfectant;
drug allergen |
(5-Chloropyridin-3-yl) 1H-indole-4-carboxylate
[no description available] | 2.31 | 1 | 0 | indolyl carboxylic acid | anticoronaviral agent |
Benzyl N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]carbamate
[no description available] | 2.31 | 1 | 0 | dipeptide | anticoronaviral agent |
amg-837
AMG-837: GPR40 agonist | 2.31 | 1 | 0 | | |
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-2-furancarboxamide
[no description available] | 2.31 | 1 | 0 | aromatic amide;
furans | |
bictegravir
bictegravir: HIV Integrase Inhibitors. bictegravir : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2R,5S,13aR)-8-hydroxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid with the amino group of 2,4,6-trifluorobenzylamine. It is a second-generation integrase strand transfer inhibitor (INSTI) and used (as its sodium salt) for the treatment of HIV-1. | 2.31 | 1 | 0 | monocarboxylic acid amide;
organic heterotetracyclic compound;
secondary carboxamide;
trifluorobenzene | HIV-1 integrase inhibitor |
sildenafil
sildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position. | 2.61 | 2 | 0 | piperazines;
pyrazolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
2-methyl-4(3h)-quinazolinone
2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source | 2.15 | 1 | 0 | | |
n(4)-desoxychlordiazepoxide
N(4)-desoxychlordiazepoxide: not phototoxic; structure given in first source | 2.15 | 1 | 0 | | |
2-amino-3-hydroxyphenazine
2-amino-3-hydroxyphenazine: structure given in first source | 2.15 | 1 | 0 | | |
2-styrylquinazolin-4(3h)-one
2-styrylquinazolin-4(3H)-one: structure given in first source | 2.15 | 1 | 0 | | |
2-amino-5-iodo-6-phenyl-4-pyrimidinone
[no description available] | 2.15 | 1 | 0 | | |
quininib
quininib: has antiangiogenic activity; structure in first source. quininib : A styrylquinoline that is trans-2-styrylquinoline in which the the phenyl group has been substituted at position 2 by a hydroxy group. It is an anti-angiogenic compound that exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonising cysteinyl leukotriene receptor 1. The major species at pH 7.3 | 2.15 | 1 | 0 | phenols;
styrylquinoline | angiogenesis inhibitor |
bropirimine
[no description available] | 2.15 | 1 | 0 | pyrimidines | |
amg531
[no description available] | 2.31 | 1 | 0 | | |
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one
[no description available] | 2.15 | 1 | 0 | quinazolines | |
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one
[no description available] | 2.15 | 1 | 0 | quinazolines | |
N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide
N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-cyclohexyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.53 muM). | 2.31 | 1 | 0 | aldehyde;
indolecarboxamide;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-fluoro-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.72 muM). | 2.31 | 1 | 0 | aldehyde;
indolecarboxamide;
monofluorobenzenes;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |