3-phenoxybenzoic acid is an organic compound with the formula C13H10O3. It is a white solid that is soluble in organic solvents. The compound can be synthesized by reacting phenol with 3-bromobenzoic acid in the presence of a base. 3-phenoxybenzoic acid has been studied for its potential biological activity. For example, it has been shown to exhibit anti-inflammatory and antioxidant properties. The compound has also been investigated for its potential use as a herbicide. 3-phenoxybenzoic acid is of interest to researchers due to its unique structure and potential biological activity. Further research is needed to fully understand its properties and potential applications.'
3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
ID Source | ID |
---|---|
PubMed CID | 19539 |
CHEMBL ID | 663 |
CHEBI ID | 72631 |
SCHEMBL ID | 128732 |
MeSH ID | M0068543 |
Synonym |
---|
EN300-16783 |
meta-phenoxybenzoic acid |
3-phoc6h4co2h |
3-phoc6h4cooh |
diphenyl ether 3-carboxylic acid |
m-carboxydiphenyl ether |
ENAMINE_000396 |
inchi=1/c13h10o3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9h,(h,14,15 |
einecs 223-121-2 |
3-phenoxybenzoic acid |
brn 2105574 |
m-phenoxybenzoic acid |
benzoic acid, m-phenoxy- |
benzoic acid, 3-phenoxy- |
CBDIVE_003261 |
3739-38-6 |
3-pba |
m-(phenyloxy)benzoic acid |
3-phenoxybenzoic acid, 98% |
OPREA1_360977 |
AC-10910 |
m-phenoxybenzoic acid for cis-isomer |
chebi:72631 , |
CHEMBL663 , |
HMS1395B22 |
P1253 |
3-phenoxy-benzoic acid |
bdbm50060998 |
AKOS001026974 |
NCGC00248105-01 |
VJJ , |
dtxcid9018321 |
cas-3739-38-6 |
tox21_300610 |
NCGC00254257-01 |
dtxsid1038321 , |
3-carboxydiphenyl ether |
STL262700 |
S3597 |
69dc2655vh , |
unii-69dc2655vh |
AE-641/02381052 |
BP-11457 |
FT-0616313 |
SCHEMBL128732 |
3-phenoxy benzoic acid |
m-phenoxy benzoic acid |
cambridge id 5155939 |
W-106541 |
TS-03060 |
phenoxybenzoic acid, 3- |
mfcd00002498 |
3-phenoxybenzoic acid, pestanal(r), analytical standard |
sr-01000197248 |
SR-01000197248-1 |
BBL104374 |
pyrethroid tp |
3-pbac |
F14689 |
Q26840945 |
AMY28526 |
CS-W014941 |
SY045836 |
1793055-05-6 |
HY-W014225 |
3-(phenoxy-13c6)benzoic acid |
Z56777879 |
Excerpt | Reference | Relevance |
---|---|---|
" Clinical examination and analysis of different biochemical parameters in blood and serum samples showed in spite of the minimal absorption of the insecticide, there was no immediate adverse effect." | ( Preliminary evaluation on safety aspects in mosquito net impregnation with lambdacyhalothrin. Baskaran, S; Das, LK; Das, PK; Kalyanasundaram, M, 1992) | 0.28 |
"01-1000μM) did not show neurotoxicity, 2'-OH- and 4'-OH-deltamethrin (10-1000μM) were more toxic than deltamethrin (10-1000μM)." | ( Cytotoxicity induced by deltamethrin and its metabolites in SH-SY5Y cells can be differentially prevented by selected antioxidants. Anadón, A; Ares, I; Castellano, V; Martínez, M; Martínez, MA; Martínez-Larrañaga, MR; Ramos, E; Romero, A, 2012) | 0.38 |
" We modified the widely used Quick Easy Cheap Effective Rugged Safe (QuEChERS) method to measure several current-use pyrethroids (cis/trans-permethrin, cypermethrin, deltamethrin, esfenvalerate, bifenthrin, cyfluthrin, and cyhalothrin) and their environmental degradation products (3-PBA, cis/trans-DCCA, 4-F-3-PBA, DBCA, and MPA) in selected fresh fruits and vegetables." | ( Measurement of pyrethroids and their environmental degradation products in fresh fruits and vegetables using a modification of the quick easy cheap effective rugged safe (QuEChERS) method. Graham, SE; Li, W; Morgan, MK; Starr, JM, 2016) | 0.43 |
" Although CYP has been shown to pose toxic effects in some immune cells, as of now the immunotoxicity of CYP on immune progenitor cells has not been well studied." | ( β-Cypermethrin and its metabolite 3-phenoxybenzoic acid induce cytotoxicity and block granulocytic cell differentiation in HL-60 cells. Fu, Z; He, B; Jin, Y; Kong, B; Wang, X; Wei, L; Xie, X, 2018) | 0.76 |
Excerpt | Reference | Relevance |
---|---|---|
" We developed and evaluated a physiologically based pharmacokinetic (PBPK) model to assess the exposure of flight attendants to the pyrethroid insecticide permethrin attributable to aircraft disinsection." | ( Studying permethrin exposure in flight attendants using a physiologically based pharmacokinetic model. Isukapalli, SS; Wei, B; Weisel, CP, 2013) | 0.39 |
Excerpt | Reference | Relevance |
---|---|---|
"In this study, the bioavailability and enantioselectivity differences between bifenthrin (BF, typeⅠpyrethroid) and lambad-cyhalothrin (LCT, type Ⅱ pyrethroid) in earthworm (Eisenia fetida) were investigated." | ( Bioaccumulation and enantioselectivity of type I and type II pyrethroid pesticides in earthworm. Chang, J; Li, J; Wang, H; Wang, Y; Xu, P, 2016) | 0.43 |
Excerpt | Relevance | Reference |
---|---|---|
" Biotransformation of orally dosed compounds did not occur in the intestine, but were absorbed and metabolized by liver (deltamethrin) and kidney (3-PBacid)." | ( Comparative metabolism of deltamethrin and 3-phenoxybenzoic acid in chickens. Akhtar, MH; Mahadevan, S; Paquet, A, 1994) | 0.55 |
Role | Description |
---|---|
human xenobiotic metabolite | Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
marine xenobiotic metabolite | Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. |
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Class | Description |
---|---|
phenoxybenzoic acid | An aromatic ether that is diphenyl ether in which one of the hydrogens is replaced by a carboxy group. |
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
SMAD family member 2 | Homo sapiens (human) | Potency | 38.8952 | 0.1737 | 34.3047 | 61.8120 | AID1346859 |
SMAD family member 3 | Homo sapiens (human) | Potency | 38.8952 | 0.1737 | 34.3047 | 61.8120 | AID1346859 |
estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 34.6654 | 0.0002 | 29.3054 | 16,493.5996 | AID743075 |
peroxisome proliferator-activated receptor delta | Homo sapiens (human) | Potency | 23.1684 | 0.0010 | 24.5048 | 61.6448 | AID743227 |
vitamin D (1,25- dihydroxyvitamin D3) receptor | Homo sapiens (human) | Potency | 10.9622 | 0.0237 | 23.2282 | 63.5986 | AID743222 |
aryl hydrocarbon receptor | Homo sapiens (human) | Potency | 39.8687 | 0.0007 | 23.0674 | 1,258.9301 | AID743085; AID743122 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Aldo-keto reductase family 1 member C3 | Homo sapiens (human) | IC50 (µMol) | 0.6800 | 0.0500 | 2.2070 | 10.0000 | AID257049 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
nucleus | Aldo-keto reductase family 1 member C3 | Homo sapiens (human) |
cytoplasm | Aldo-keto reductase family 1 member C3 | Homo sapiens (human) |
cytosol | Aldo-keto reductase family 1 member C3 | Homo sapiens (human) |
extracellular exosome | Aldo-keto reductase family 1 member C3 | Homo sapiens (human) |
cytosol | Aldo-keto reductase family 1 member C3 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
AID84392 | Dissociation constant after binding to human papillomavirus E2 DNA-binding domain (DBD) by observing the changes in [15N]-HSQC spectra. | 1997 | Journal of medicinal chemistry, Sep-26, Volume: 40, Issue:20 | NMR-based discovery of lead inhibitors that block DNA binding of the human papillomavirus E2 protein. |
AID257049 | Inhibition of recombinant human AKR1C3 | 2005 | Bioorganic & medicinal chemistry letters, Dec-01, Volume: 15, Issue:23 | Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents. |
AID204263 | The concentration effective to cause 50% hemolysis with sensitized sheep erythrocytes in the absence of complement | 2003 | Bioorganic & medicinal chemistry letters, Apr-07, Volume: 13, Issue:7 | Synthesis of low molecular weight compounds with complement inhibition activity. |
AID204562 | The concentration required to inhibit complement mediated hemolysis of sensitized sheep RBC | 2003 | Bioorganic & medicinal chemistry letters, Apr-07, Volume: 13, Issue:7 | Synthesis of low molecular weight compounds with complement inhibition activity. |
AID1159537 | qHTS screening for TAG (triacylglycerol) accumulators in algae | 2017 | Plant physiology, Aug, Volume: 174, Issue:4 | Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae. |
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 5 (2.49) | 18.7374 |
1990's | 15 (7.46) | 18.2507 |
2000's | 26 (12.94) | 29.6817 |
2010's | 104 (51.74) | 24.3611 |
2020's | 51 (25.37) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (28.44) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 3 (1.43%) | 5.53% |
Reviews | 5 (2.38%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 1 (0.48%) | 0.25% |
Other | 201 (95.71%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Substance | Relationship Strength | Studies | Trials | Classes | Roles |
---|---|---|---|---|---|
protocatechuic acid protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 2.52 | 2 | 0 | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. | 1.98 | 1 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. | 1.99 | 1 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
catechol [no description available] | 2.61 | 2 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
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 | |
gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | 2.25 | 1 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
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 |
creatine [no description available] | 2.04 | 1 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
o,o-diethyl phosphorothionate O,O-diethyl phosphorothionate: metabolite of organothiophosphorous insecticides; structure given in first source. O,O-diethyl hydrogen thiophosphate : An organic thiophosphate that is the diethyl ester of phosphorothioic O,O,O-acid. | 3.01 | 2 | 0 | organic thiophosphate | human xenobiotic metabolite; mouse metabolite |
glycine [no description available] | 7.39 | 2 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil. | 1.97 | 1 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
iodine Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge.. | 2.08 | 1 | 0 | diatomic iodine | nutrient |
melatonin [no description available] | 2.07 | 1 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed) | 2.07 | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
4-nitrophenol 4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. | 2.07 | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
pentachlorophenol PENTA: structure given in first source | 7.45 | 2 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
phenol [no description available] | 2.25 | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. | 3.7 | 1 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
spermidine [no description available] | 2.07 | 1 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
taurine [no description available] | 6.95 | 1 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
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 |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies. | 2.41 | 1 | 0 | non-proteinogenic alpha-amino acid | |
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 | |
1,10-phenanthroline 1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases | 1.98 | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | 1.99 | 1 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
2,2'-dipyridyl 2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. | 1.98 | 1 | 0 | bipyridine | chelator; ferroptosis inhibitor |
2,4-dichlorophenoxyacetic acid 2,4-Dichlorophenoxyacetic Acid: An herbicide with irritant effects on the eye and the gastrointestinal system.. 2,4-D : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. | 8.48 | 7 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
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 | |
acephate acephate : A phosphoramide that is methamidophos in which one of the hydrogens is replaced by an acetyl group. | 2.05 | 1 | 0 | mixed diacylamine; organic thiophosphate; organothiophosphate insecticide; phosphoramide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | 2.02 | 1 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
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 | |
aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. | 2.02 | 1 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
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 | |
chlorpyrifos Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. | 3.87 | 10 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
cx546 1-(1,4-benzodioxan-6-ylcarbonyl)piperidine: structure in first source | 2.15 | 1 | 0 | ||
cypermethrin cypermethrin : A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile.. zeta-cypermethrin : A diastereoisomeric mixture comprising the isomeric pair (1R)-cis-(alphaS)- and (1S)-trans-(alphaR)-cypermethrin together with the isomeric pair (1S)-cis-(alphaS)- and (1S)-trans-(alphaS)-cypermethrin where the ratio between the isomeric pairs lies in the range 45:55 to 55:45. | 7.59 | 23 | 1 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
dimethyl 2,3,5,6-tetrachloroterephthalate dimethyl 2,3,5,6-tetrachloroterephthalate: structure | 2.03 | 1 | 0 | diester; methyl ester | |
dicamba Dicamba: A chlorinated organic herbicide.. dicamba : A methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6. | 2.52 | 2 | 0 | dichlorobenzene; methoxybenzoic acid | agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic |
dichlorodiphenyl dichloroethylene Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT. | 2.42 | 2 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source | 2.01 | 1 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
dichlorvos Dichlorvos: An organophosphorus insecticide that inhibits ACETYLCHOLINESTERASE.. dichlorvos : An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate. | 2.06 | 1 | 0 | alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide | anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
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 |
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 |
etodolac Etodolac: A non-steroidal anti-inflammatory agent and cyclooxygenase-2 (COX-2) inhibitor with potent analgesic and anti-arthritic properties. It has been shown to be effective in the treatment of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; ANKYLOSING SPONDYLITIS; and in the alleviation of postoperative pain (PAIN, POSTOPERATIVE).. etodolac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active. | 2.02 | 1 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fenvalerate fenvalerate: synthetic pyrethroid; RN given refers to cpd without isomeric designation; structure. fenvalerate : A carboxylic ester obtained by formal condensation between 2-(4-chlorophenyl)-3-methylbutyric acid and cyano(3-phenoxyphenyl)methanol. | 9.26 | 5 | 0 | aromatic ether; carboxylic ester; monochlorobenzenes | pyrethroid ester acaricide; pyrethroid ester insecticide |
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 7.93 | 4 | 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 |
indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 1.97 | 1 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; 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 |
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2. | 2.02 | 1 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
malathion Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.. diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group. | 3.01 | 2 | 0 | diester; ethyl ester; organic thiophosphate | |
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 |
nocodazole [no description available] | 2.15 | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
metyrapone Metyrapone: An inhibitor of the enzyme STEROID 11-BETA-MONOOXYGENASE. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of CUSHING SYNDROME.. metyrapone : An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency. | 1.98 | 1 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
phenacetin Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione | 2.02 | 1 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
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 | |
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 |
propoxur Propoxur: A carbamate insecticide.. propoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group. | 2.02 | 1 | 0 | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
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 |
2-hydroxybenzylbenzimidazole 2-hydroxybenzylbenzimidazole: RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | ||
piperonyl butoxide [no description available] | 1.98 | 1 | 0 | benzodioxoles | pesticide synergist |
thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. | 2.52 | 2 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
etimizol Etimizol: A xanthine-related, putative nootropic drug. | 2.15 | 1 | 0 | ||
dichlorodiphenyldichloroethane Dichlorodiphenyldichloroethane: An organochlorine insecticide that is slightly irritating to the skin. (From Merck Index, 11th ed, p482) | 2.01 | 1 | 0 | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
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 | |
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. | 1.99 | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. | 3.73 | 2 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
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 | ||
benzoic anhydride 2-benzoylbenzoic acid: structure in first source | 2.02 | 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 | |
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 |
pyridostigmine bromide Pyridostigmine Bromide: A cholinesterase inhibitor with a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants. | 2.21 | 1 | 0 | pyridinium salt | |
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 | |
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 | |
captan Captan: One of the phthalimide fungicides.. captan : A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. | 2.76 | 2 | 0 | isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide | antifungal agrochemical |
4-methylbenzophenone 4-methylbenzophenone: structure in first source | 2.02 | 1 | 0 | ||
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 | ||
3,4-pyridinedicarboxylic acid 3,4-pyridinedicarboxylic acid: structure in first source | 2.15 | 1 | 0 | pyridinedicarboxylic acid | |
oleanolic acid [no description available] | 2.01 | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | 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 | |
neutral red Neutral Red: A vital dye used as an indicator and biological stain. Various adverse effects have been observed in biological systems.. neutral red : A hydrochloride obtained by combining the free base of neutral red with one equivalent of hydrochloric acid. Neutral red acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. | 2.07 | 1 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
1-acetylisatin 1-acetylisatin: structure in first source | 2.15 | 1 | 0 | indoledione | |
3-methoxybenzoic acid [no description available] | 2.01 | 1 | 0 | methoxybenzoic acid | flavouring agent; human urinary metabolite |
3-methoxybenzaldehyde 3-methoxybenzaldehyde : A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group. | 2.01 | 1 | 0 | benzaldehydes; monomethoxybenzene | Brassica napus metabolite |
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 | ||
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 2.52 | 2 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
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 |
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 | |
tetrachloroisophthalonitrile tetrachloroisophthalonitrile: structure. chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops. | 2.03 | 1 | 0 | aromatic fungicide; dinitrile; tetrachlorobenzene | antifungal agrochemical |
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 |
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-phenylbutyric acid 3-phenylbutyric acid : A monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. | 1.97 | 1 | 0 | benzenes; monocarboxylic acid | antibacterial agent; bacterial 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 | ||
3,5,6-trichloro-2-pyridinol 3,5,6-trichloro-2-pyridinol: RN given refers to parent cpd. 3,5,6-trichloropyridine-2-one : A pyridone that is pyridin-2(1H)-one substituted by chloro groups at positions 3, 5 and 6. It is a metabolite of the agrochemical chlorpyrifos.. 3,5,6-trichloro-2-pyridinol : A hydroxypyridine that is pyridin-2-ol substituted by chloro groups at positions 3,5 and 6. It is a metabolite of the agrochemical chlorpyrifos. | 8.33 | 6 | 0 | chloropyridine; hydroxypyridine; pyridone | human urinary metabolite; human xenobiotic metabolite; marine xenobiotic metabolite |
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common. | 3.66 | 2 | 0 | cadmium molecular entity; zinc group element atom | |
europium Europium: An element of the rare earth family of metals. It has the atomic symbol Eu, atomic number 63, and atomic weight 152. Europium is used in the form of its salts as coatings for cathode ray tubes and in the form of its organic derivatives as shift reagents in NMR spectroscopy. | 2.04 | 1 | 0 | f-block element atom; lanthanoid atom | |
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts. | 2.31 | 1 | 0 | copper group element atom; elemental gold | |
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 |
3-phenoxybenzylalcohol (3-phenoxyphenyl)methanol : A member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin. | 3.56 | 8 | 0 | aromatic ether; benzyl alcohols | marine xenobiotic metabolite |
phytanic acid Phytanic Acid: A 20-carbon branched chain fatty acid. In phytanic acid storage disease (REFSUM DISEASE) this lipid may comprise as much as 30% of the total fatty acids of the plasma. This is due to a phytanic acid alpha-hydroxylase deficiency.. phytanic acid : A branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15. | 1.97 | 1 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | |
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 |
alkenes [no description available] | 2.25 | 1 | 0 | ||
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 |
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 | ||
3-phenoxybenzaldehyde [no description available] | 3.58 | 8 | 0 | ||
thidiazuron [no description available] | 2.15 | 1 | 0 | ureas | |
phenthiazamine phenthiazamine: RN given refers to parent cpd | 2.15 | 1 | 0 | ||
permethrin hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141 | 6.77 | 28 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
decamethrin decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure | 3.92 | 12 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available] | 2.07 | 1 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
triclopyr trichlopyr : A monocarboxylic acid that is (pyridin-2-yloxy)acetic acid substituted by chloro groups at positions 3, 5 and 6. It is an agrochemical used as a herbicide. | 2.03 | 1 | 0 | aromatic ether; chloropyridine; monocarboxylic acid | agrochemical; environmental contaminant; herbicide; xenobiotic |
5,5-diphenylbarbituric acid 5,5-diphenylbarbituric acid: RN given refers to parent cpd | 2.15 | 1 | 0 | ||
fenpropathrin, (+-)-isomer fenpropathrin: RN given refers to cpd without isomeric designation. fenpropathrin : A cyclopropanecarboxylate ester obtained by formal condensation between 2,2,3,3-tetramethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. | 2.11 | 1 | 0 | aromatic ether; cyclopropanecarboxylate ester | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
3-acetamidobenzoic acid N-acetyl-m-aminobenzoic acid: from Solanum laciniatum; structure in first source | 2.15 | 1 | 0 | ||
fluvalinate fluvalinate: RN given refers to 2-cyano isomer (DL)-isomer | 2 | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
dazoxiben hydrochloride [no description available] | 2.15 | 1 | 0 | ||
succinylsulfanilamide [no description available] | 2.15 | 1 | 0 | ||
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | 3.03 | 1 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
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 | ||
glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages. | 1.95 | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
ursolic acid [no description available] | 2.01 | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
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 |
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 | ||
formetamide formetamide: RN given refers to cpd with unspecified isomeric designation | 2.15 | 1 | 0 | ||
isbufylline isbufylline: RN from Toxlit | 2.15 | 1 | 0 | ||
4-phenylbenzoic acid 4-phenylbenzoic acid: RN given refers to 4-carboxylic cpd | 1.99 | 1 | 0 | ||
1,7-phenanthroline [no description available] | 1.98 | 1 | 0 | phenanthroline | |
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. | 2.47 | 2 | 0 | amidobenzoic acid | |
butinoline [no description available] | 2.15 | 1 | 0 | diarylmethane | |
4-methoxybenzophenone 4-methoxybenzophenone: structure in first source | 2.02 | 1 | 0 | ||
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 | |
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 |
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 | |
4-carboxybiphenyl ether 4-carboxybiphenyl ether: structure given in first source. 4-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is para to the carboxy group. | 3.4 | 6 | 0 | phenoxybenzoic acid | |
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 |
equol Equol: A non-steroidal ESTROGEN generated when soybean products are metabolized by certain bacteria in the intestines. | 2.07 | 1 | 0 | hydroxyisoflavans | |
3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid: structure given in first source; RN given refers to parent cpd | 4.59 | 9 | 0 | organochlorine compound | |
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 | ||
n-(2-carboxyphenyl)phenoxyacetamide N-(2-carboxyphenyl)phenoxyacetamide: structure | 2.02 | 1 | 0 | ||
carbobenzoxyphenylalanine, (dl-phe)-isomer [no description available] | 2.15 | 1 | 0 | ||
cyfluthrin cyfluthrin: effective against mosquitoes. cyfluthrin : A carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile. | 2.74 | 3 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester insecticide |
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 | |
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 | ||
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 | ||
naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes. | 2.02 | 1 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
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 | ||
3,4-dihydroxybenzophenone 3,4-dihydroxybenzophenone: structure in first source | 2.15 | 1 | 0 | ||
gamma-propanol [no description available] | 2.15 | 1 | 0 | ||
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. | 7.31 | 1 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid: urinary metabolite of insectiside, deltamethrin | 2.76 | 3 | 0 | ||
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile [no description available] | 2.15 | 1 | 0 | benzenes; nitrile | |
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 | |
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 | ||
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 | |
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 | |
Girgensonine [no description available] | 2.15 | 1 | 0 | nitrile | |
Dubinidine [no description available] | 2.15 | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
N-[4-(methanesulfonamido)phenyl]acetamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
1-deaza-2-chloro-n(6)-cyclopentyladenosine 1-deaza-2-chloro-N(6)-cyclopentyladenosine: adenosine A(1) receptor agonist | 3.03 | 1 | 0 | ||
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 | |
potassium permanganate Potassium Permanganate: Permanganic acid (HMnO4), potassium salt. A highly oxidative, water-soluble compound with purple crystals, and a sweet taste. (From McGraw-Hill Dictionary of Scientific and Technical Information, 4th ed) | 2.25 | 1 | 0 | ||
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 | |
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 | |
1-(4-Methoxyphenyl)-2-nitroethylene 4-methoxy-beta-nitrostyrene: has vasodilator activity; structure in first source | 2.15 | 1 | 0 | methoxybenzenes | |
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 | |
cotinine Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum. | 2.41 | 1 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
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 | |
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 | |
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 | |
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 | ||
nadp [no description available] | 1.98 | 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 | |
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 | ||
nabam mancozeb: complex of zinc & maneb, containing 20% manganese & 2.5% zinc. mancozeb : A mixture composed from maneb and zineb, which is used as a broad-spectrum contact fungicide.. ethylenebis(dithiocarbamic acid) : A dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. | 2.58 | 2 | 0 | dithiocarbamic acids | |
zineb Zineb: An agricultural fungicide of the dithiocarbamate class. It has relatively low toxicity and there is little evidence of human injury from exposure.. zineb : A polymeric complex of zinc with the ethylene bis(dithiocarbamate) anionic ligand. Formerly used as an agricultural fungicide for the control of downy mildews and rusts, its use is no longer permitted in the US or the EU. | 2.58 | 2 | 0 | dithiocarbamate salt; macromolecule; zinc coordination entity | antifungal agrochemical |
maneb Maneb: Manganese derivative of ethylenebisdithiocarbamate. It is used in agriculture as a fungicide and has been shown to cause irritation to the eyes, nose, skin, and throat.. maneb : A polymeric complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand. An agrochemical fungicide, it is used to control a variety of diseases including blight, leaf spot, rust, downy mildew and scab. | 2.58 | 2 | 0 | ||
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 | |
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 | |
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 | ||
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide | |
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; thiazoles | |
diclofenac sodium Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties.. diclofenac sodium : The sodium salt of diclofenac. | 2.02 | 1 | 0 | organic sodium salt | |
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 | |
ubiquinone q2 Ubiquinone Q2: interacts with iron atom to form acceptor quinone complex; RN given refers to cpd with unspecified isomeric designation | 2.07 | 1 | 0 | ubiquinones | |
daidzein [no description available] | 2.07 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite |
cyhalothrin cyhalothrin: acaricidal & insecticidal synthetic pyrethroid; structure given in first source. cyhalothrin : A carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. | 9.21 | 15 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound | agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide |
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 | |
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 | ||
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb. | 2.6 | 1 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
strontium Strontium: An element of the alkaline earth family of metals. It has the atomic symbol Sr, atomic number 38, and atomic weight 87.62. | 2.6 | 1 | 0 | alkaline earth metal atom | |
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed) | 3.73 | 2 | 0 | metalloid atom; pnictogen | micronutrient |
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 | ||
triolein Triolein: (Z)-9-Octadecenoic acid 1,2,3-propanetriyl ester.. triolein : A triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid. Triolein is one of the two components of Lorenzo's oil. | 1.99 | 1 | 0 | triglyceride | Caenorhabditis elegans metabolite; plant metabolite |
bifenthrin bifenthrin: a type I pyrethroid. bifenthrin : A carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol.. kappa-bifenthrin : A carboxylic ester obtained by formal condensation of the carboxy group of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid with the hydroxy group of [(2-methyl-1,1'-biphenyl)-3-yl]methanol. | 2.52 | 2 | 0 | carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound | pyrethroid ester acaricide; pyrethroid ester insecticide |
alpha-synuclein alpha-Synuclein: A synuclein that is a major component of LEWY BODIES and plays a role in SYNUCLEINOPATHIES, neurodegeneration and neuroprotection. | 2.15 | 1 | 0 | ||
ubiquinone Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals. | 2.07 | 1 | 0 | ||
oxytetracycline, anhydrous Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions.. oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae. | 2.21 | 1 | 0 | ||
pyrethrins [no description available] | 11.06 | 124 | 3 | ||
nitrophenols Nitrophenols: PHENOLS carrying nitro group substituents. | 2.07 | 1 | 0 | ||
muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17. | 3.43 | 1 | 1 | ||
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. | 2.15 | 1 | 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 | |
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 | |
imidacloprid imidacloprid: systemic & contact insecticide exhibiting low mammalian toxicity; structure given in first source; it is one of the neonicotinoid insecticides, which acts as an antagonist by binding to postsynaptic nicotinic receptors in the insect central nervous system. imidacloprid : An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1. | 3.43 | 1 | 1 | imidacloprid; imidazolidines; monochloropyridine | environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
Condition | Indicated | Relationship Strength | Studies | Trials |
---|---|---|---|---|
Extravascular Hemolysis [description not available] | 0 | 2.01 | 1 | 0 |
Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity. | 0 | 2.01 | 1 | 0 |
Encephalitis, Polio [description not available] | 0 | 2.06 | 1 | 0 |
Poliomyelitis An acute infectious disease of humans, particularly children, caused by any of three serotypes of human poliovirus (POLIOVIRUS). Usually the infection is limited to the gastrointestinal tract and nasopharynx, and is often asymptomatic. The central nervous system, primarily the spinal cord, may be affected, leading to rapidly progressive paralysis, coarse FASCICULATION and hyporeflexia. Motor neurons are primarily affected. Encephalitis may also occur. The virus replicates in the nervous system, and may cause significant neuronal loss, most notably in the spinal cord. A rare related condition, nonpoliovirus poliomyelitis, may result from infections with nonpoliovirus enteroviruses. (From Adams et al., Principles of Neurology, 6th ed, pp764-5) | 0 | 2.06 | 1 | 0 |
Plasmodium falciparum Malaria [description not available] | 0 | 2.1 | 1 | 0 |
Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations. | 0 | 2.1 | 1 | 0 |
Idiopathic Parkinson Disease [description not available] | 0 | 2.41 | 1 | 0 |
Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75) | 0 | 2.41 | 1 | 0 |
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders. | 0 | 2.6 | 1 | 0 |
Delayed Effects, Prenatal Exposure [description not available] | 0 | 3.39 | 6 | 0 |
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH. | 0 | 6.59 | 16 | 1 |
Rheumatoid Arthritis [description not available] | 0 | 2.6 | 1 | 0 |
Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated. | 0 | 2.6 | 1 | 0 |
Deafness, Transitory [description not available] | 0 | 2.41 | 1 | 0 |
Hearing Loss A general term for the complete or partial loss of the ability to hear from one or both ears. | 0 | 2.41 | 1 | 0 |
Overweight A status with BODY WEIGHT that is above certain standards. In the scale of BODY MASS INDEX, overweight is defined as having a BMI of 25.0-29.9 kg/m2. Overweight may or may not be due to increases in body fat (ADIPOSE TISSUE), hence overweight does not equal over fat. | 0 | 2.6 | 1 | 0 |
Leanness [description not available] | 0 | 2.6 | 1 | 0 |
Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY). | 0 | 3.07 | 3 | 0 |
Insulin Sensitivity [description not available] | 0 | 2.6 | 1 | 0 |
Insulin Resistance Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS. | 0 | 2.6 | 1 | 0 |
Birth Weight The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms. | 0 | 2.6 | 1 | 0 |
Age-Related Osteoporosis [description not available] | 0 | 2.6 | 1 | 0 |
Osteoporosis Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis. | 0 | 2.6 | 1 | 0 |
Arthritis, Degenerative [description not available] | 0 | 2.6 | 1 | 0 |
Osteoarthritis A progressive, degenerative joint disease, the most common form of arthritis, especially in older persons. The disease is thought to result not from the aging process but from biochemical changes and biomechanical stresses affecting articular cartilage. In the foreign literature it is often called osteoarthrosis deformans. | 0 | 2.6 | 1 | 0 |
Sterility, Male [description not available] | 0 | 2.6 | 1 | 0 |
Hypospermatogenesis [description not available] | 0 | 2.6 | 1 | 0 |
Infertility, Male The inability of the male to effect FERTILIZATION of an OVUM after a specified period of unprotected intercourse. Male sterility is permanent infertility. | 0 | 2.6 | 1 | 0 |
2019 Novel Coronavirus Disease [description not available] | 0 | 2.6 | 1 | 0 |
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed) | 0 | 2.76 | 3 | 0 |
Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill. | 0 | 2.25 | 1 | 0 |
Cancer of Liver [description not available] | 0 | 2.25 | 1 | 0 |
Liver Neoplasms Tumors or cancer of the LIVER. | 0 | 2.25 | 1 | 0 |
ADDH [description not available] | 0 | 2.57 | 2 | 0 |
Attention Deficit Disorder with Hyperactivity A behavior disorder originating in childhood in which the essential features are signs of developmentally inappropriate inattention, impulsivity, and hyperactivity. Although most individuals have symptoms of both inattention and hyperactivity-impulsivity, one or the other pattern may be predominant. The disorder is more frequent in males than females. Onset is in childhood. Symptoms often attenuate during late adolescence although a minority experience the full complement of symptoms into mid-adulthood. (From DSM-V) | 0 | 2.57 | 2 | 0 |
Child Behavior Disorders Disturbances considered to be pathological based on age and stage appropriateness, e.g., conduct disturbances and anaclitic depression. This concept does not include psychoneuroses, psychoses, or personality disorders with fixed patterns. | 0 | 2.15 | 1 | 0 |
Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment. | 0 | 2.52 | 2 | 0 |
Acute Promyelocytic Leukemia [description not available] | 0 | 2.17 | 1 | 0 |
Leukemia, Promyelocytic, Acute An acute myeloid leukemia in which abnormal PROMYELOCYTES predominate. It is frequently associated with DISSEMINATED INTRAVASCULAR COAGULATION. | 0 | 2.17 | 1 | 0 |
Disease, Pulmonary [description not available] | 0 | 2.21 | 1 | 0 |
Lung Diseases Pathological processes involving any part of the LUNG. | 0 | 2.21 | 1 | 0 |
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases. | 0 | 2.21 | 1 | 0 |
Gulf War Syndrome [description not available] | 0 | 2.21 | 1 | 0 |
Persian Gulf Syndrome Unexplained symptoms reported by veterans of the Persian Gulf War with Iraq in 1991. The symptoms reported include fatigue, skin rash, muscle and joint pain, headaches, loss of memory, shortness of breath, gastrointestinal and respiratory symptoms, and extreme sensitivity to commonly occurring chemicals. (Nature 1994 May 5;369(6475):8) | 0 | 2.21 | 1 | 0 |
Agricultural Worker Disease [description not available] | 0 | 2.08 | 1 | 0 |
Disomy, Uniparental [description not available] | 0 | 2.08 | 1 | 0 |
Aneuploid [description not available] | 0 | 2.08 | 1 | 0 |
Varicocele A condition characterized by the dilated tortuous veins of the SPERMATIC CORD with a marked left-sided predominance. Adverse effect on male fertility occurs when varicocele leads to an increased scrotal (and testicular) temperature and reduced testicular volume. | 0 | 2.1 | 1 | 0 |
Encephalopathy, Toxic [description not available] | 0 | 2.11 | 1 | 0 |
Autism Spectrum Disorder Wide continuum of associated cognitive and neurobehavioral disorders, including, but not limited to, three core-defining features: impairments in socialization, impairments in verbal and nonverbal communication, and restricted and repetitive patterns of behaviors. (from DSM-V) | 0 | 2.13 | 1 | 0 |
Acute Liver Injury, Drug-Induced [description not available] | 0 | 2.54 | 2 | 0 |
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment. | 0 | 2.54 | 2 | 0 |
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time. | 0 | 2.15 | 1 | 0 |
Liver Dysfunction [description not available] | 0 | 2.15 | 1 | 0 |
Liver Diseases Pathological processes of the LIVER. | 0 | 2.15 | 1 | 0 |
Diseases, Occupational [description not available] | 0 | 4.32 | 4 | 1 |
Albuminuria The presence of albumin in the urine, an indicator of KIDNEY DISEASES. | 0 | 3.43 | 1 | 1 |
Breast Cancer [description not available] | 0 | 2.05 | 1 | 0 |
Carcinoma, Anaplastic [description not available] | 0 | 2.45 | 2 | 0 |
Delayed Puberty [description not available] | 0 | 2.05 | 1 | 0 |
Breast Neoplasms Tumors or cancer of the human BREAST. | 0 | 2.05 | 1 | 0 |
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer. | 0 | 7.45 | 2 | 0 |
Chorea Disorders [description not available] | 0 | 2.05 | 1 | 0 |
Action Tremor [description not available] | 0 | 2.05 | 1 | 0 |
Athetoid Movements [description not available] | 0 | 2.05 | 1 | 0 |
Chorea Involuntary, forcible, rapid, jerky movements that may be subtle or become confluent, markedly altering normal patterns of movement. Hypotonia and pendular reflexes are often associated. Conditions which feature recurrent or persistent episodes of chorea as a primary manifestation of disease are referred to as CHOREATIC DISORDERS. Chorea is also a frequent manifestation of BASAL GANGLIA DISEASES. | 0 | 2.05 | 1 | 0 |
Tremor Cyclical movement of a body part that can represent either a physiologic process or a manifestation of disease. Intention or action tremor, a common manifestation of CEREBELLAR DISEASES, is aggravated by movement. In contrast, resting tremor is maximal when there is no attempt at voluntary movement, and occurs as a relatively frequent manifestation of PARKINSON DISEASE. | 0 | 2.05 | 1 | 0 |
Reproductive Sterility [description not available] | 0 | 2.07 | 1 | 0 |
Infertility A reduced or absent capacity to reproduce. | 0 | 2.07 | 1 | 0 |
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply. | 0 | 2.08 | 1 | 0 |
Cancer of Lung [description not available] | 0 | 2.04 | 1 | 0 |
Lung Neoplasms Tumors or cancer of the LUNG. | 0 | 2.04 | 1 | 0 |
Infections, Plasmodium [description not available] | 0 | 2.01 | 1 | 0 |
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia. | 0 | 2.01 | 1 | 0 |