Compounds > chromafenozide
Page last updated: 2024-11-12

chromafenozide

Description

chromafenozide: has partial ecdysone agonist activity; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID10157484
CHEMBL ID227020
CHEBI ID38450
SCHEMBL ID73335
MeSH IDM0423629

Synonyms (30)

Synonym
CHEBI:38450 ,
n'-tert-butyl-n'-(3,5-dimethylbenzoyl)-5-methylchromane-6-carbohydrazide
143807-66-3
chromafenozide
CHEMBL227020
FT-0665031
2odm465d5m ,
ans 118
ans-118
unii-2odm465d5m
chromafenozide [iso]
C18515
chromafenozide [mi]
matric
3,4-dihydro-5-methyl-2h-1-benzopyran-6-carboxylic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
HY-17533
CS-3319
SCHEMBL73335
DTXSID4057976
AKOS030526535
chromafenozide, pestanal(r), analytical standard
bdbm50488460
Q22807314
F85055
MS-26634
n'-tert-butyl-n'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2h-chromene-6-carbohydrazide
ans118ans118
EX-A3752
2h-1-benzopyran-6-carboxylic acid, 3,4-dihydro-5-methyl-,2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
2h-1-benzopyran-6-carboxylic acid, 3,4-dihydro-5-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide

Research Excerpts

Overview

Chromafenozide (ANS-118) is a non-steroidal ecdysone mimic. Its insecticidal effect is highly specific to lepidoptera.

ExcerptReferenceRelevance
"Chromafenozide is a lepidopteran insecticide. "( Degradation dynamics of chromafenozide in different types of soil.
Bhattacharyya, A; Das, SP; Ditya, P, 2012)		2.13
"Chromafenozide (ANS-118) is a non-steroidal ecdysone mimic and its insecticidal effect is highly specific to lepidoptera. "( Potent and selective partial ecdysone agonist activity of chromafenozide in Sf9 cells.
Endo, Y; Fukasawa, H; Masui, A; Toya, T, 2002)		2

Effects

ExcerptReferenceRelevance
"Chromafenozide has shown very high selectivity toward lepidopteran species."( Synthesis and insecticidal activity of benzoheterocyclic analogues of N'-benzoyl-N-(tert-butyl)benzohydrazide: Part 3. Modification of N-tert-butylhydrazine moiety.
Kato, Y; Kodama, S; Masui, A; Nakagawa, H; Sawada, Y; Shirakura, H; Sugizaki, H; Tamagawa, Y; Toya, T; Tsukamoto, Y; Watanabe, T; Yajima, Y; Yanagi, M; Yanai, T; Yokoi, S, 2003)		1.04

Toxicity

ExcerptReferenceRelevance
"The new analytical method using Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) procedure for simultaneous determination of diacylhydrazine insecticide residues in fruits and vegetables was developed using ultra-performance liquid chromatography coupled with tandem mass spectrometry (UPLC-MS/MS)."( Residue analysis of four diacylhydrazine insecticides in fruits and vegetables by Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) method using ultra-performance liquid chromatography coupled to tandem mass spectrometry.
Dong, F; Li, Y; Liu, X; Song, W; Xu, J; Zheng, Y, 2011)		0.37
" This study provides data for setting maximum residue limits and PHIs for the safe use of spiromesifen and chromafenozide in lettuce and perilla."( Residual characteristics and safety assessment of the insecticides spiromesifen and chromafenozide in lettuce and perilla.
Byeon, GD; Choi, JY; Ham, HJ; Hur, JH; Ishag, AESA; Sardar, SW, 2022)		1.16

Bioavailability

ExcerptReferenceRelevance
" To show the importance of physicochemical properties, the classic QSAR and CoMFA of neonicotinoids and prediction of bioavailability of pesticides in terms of membrane permeability in comparison with drugs are described."( Importance of physicochemical properties for the design of new pesticides.
Akamatsu, M, 2011)		0.37
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
bisacylhydrazine insecticide
[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 Targets (2)

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
20-hydroxy-ecdysone receptor Spodoptera littoralis (African cotton leafworm)EC50 (µMol)0.00260.00220.35121.2882AID1111388
Ecdysone receptorBombyx mori (domestic silkworm)EC50 (µMol)0.00100.00100.11410.4365AID1111391
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (46)

Assay IDTitleYearJournalArticle
AID1111378Larvicidal activity against Bombyx mori assessed as mortality applied topically after 1 week2010Pest management science, May, Volume: 66, Issue:5
Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays.
AID1091956Apparent hydrophobicity, log D of the compound in Octanol-buffer2011Journal of agricultural and food chemistry, Apr-13, Volume: 59, Issue:7
Importance of physicochemical properties for the design of new pesticides.
AID1111389Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide2010Pest management science, May, Volume: 66, Issue:5
Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays.
AID1080593Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 10 mg/kg measured after 4 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1080584Stomach toxicity in Helicoverpa armigera in compound treated corn leaves assessed as mortality at 1000 mg/L measured after 4 days by leaf-dip method2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1081854Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 200 mg/L measured after 4 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1081861Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 50 mg/L measured after 3 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1081864Stomach toxicity against third-instar Plutella xylostella (diamondback moth) in compound treated fresh cabbage leaves assessed as insecticidal activity at 100 mg/L measured after 3 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1081855Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 100 mg/L measured after 4 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1080592Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 5 mg/kg measured after 4 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID288184Permeability coefficient through artificial membrane in presence of unstirred water layer by PAMPA2007Bioorganic & medicinal chemistry, Jun-01, Volume: 15, Issue:11
QSAR study on permeability of hydrophobic compounds with artificial membranes.
AID1080583Contact toxicity in Helicoverpa armigera assessed as mortality at 1000 mg/L by topical application measured after 4 days by leaf-dip method2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID288191Membrane retention in permeability experiment with artificial membrane2007Bioorganic & medicinal chemistry, Jun-01, Volume: 15, Issue:11
QSAR study on permeability of hydrophobic compounds with artificial membranes.
AID1091957Apparent permeability of the compound by PAMPA2011Journal of agricultural and food chemistry, Apr-13, Volume: 59, Issue:7
Importance of physicochemical properties for the design of new pesticides.
AID1080587Contact toxicity in fourth-instar Spodoptera exigua assessed as mortality by topical application measured after 48 hr2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1080595Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 50 mg/kg measured after 4 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1080585Contact toxicity in fourth-instar Plutella xylostella (diamondback moth) larva assessed as mortality measured after 72 hr by insect-dip method2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1080590Toxicity against fourth-instar larvae of Culex pipiens pallens assessed as mortality at 2 mg/kg measured after 7 to 10 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1111386Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide2010Pest management science, May, Volume: 66, Issue:5
Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays.
AID1081859Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 200 mg/L measured after 3 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1080588Contact toxicity in fourth-instar Spodoptera exigua assessed as mortality by topical application measured after 72 hr2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1080581Toxicity against fourth-instar larvae of Culex pipiens pallens assessed as mortality at 1 mg/kg measured after 7 to 10 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1081860Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 100 mg/L measured after 3 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1081865Stomach toxicity against third-instar Plutella xylostella (diamondback moth) in compound treated fresh cabbage leaves assessed as insecticidal activity at 50 mg/L measured after 3 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1081858Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 10 mg/L measured after 4 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID288192Partition coefficient, log P of the compound2007Bioorganic & medicinal chemistry, Jun-01, Volume: 15, Issue:11
QSAR study on permeability of hydrophobic compounds with artificial membranes.
AID1081857Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 25 mg/L measured after 4 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1080582Stomach toxicity in Ostrinia nubilalis (European corn borer) in compound treated corn leaves assessed as mortality measured after 4 days by leaf-dip method2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1091955Dissociation constant, pKa of the compound at pH 7.32011Journal of agricultural and food chemistry, Apr-13, Volume: 59, Issue:7
Importance of physicochemical properties for the design of new pesticides.
AID1080586Contact toxicity in fourth-instar Plutella xylostella (diamondback moth) larva assessed as mortality measured after 48 hr by insect-dip method2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1111377Larvicidal activity against Spodoptera littoralis assessed as mortality applied topically after 1 week2010Pest management science, May, Volume: 66, Issue:5
Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays.
AID1080594Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 25 mg/kg measured after 4 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1111391Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay2010Pest management science, May, Volume: 66, Issue:5
Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays.
AID1080597Stomach toxicity in fourth-instar Mythimna separata(Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 200 mg/kg measured after 4 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1081856Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 50 mg/L measured after 4 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1111385Selectivity ratio of EC50 for ecdysone receptor in Bombyx mori Bm5 cells to EC50 for ecdysone receptor in Spodoptera littoralis Sl2 cells2010Pest management science, May, Volume: 66, Issue:5
Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays.
AID1080589Stomach toxicity in Spodoptera exigua in compound treated cabbage leaves assessed as mortality measured after 3 days by leaf-dip method2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1081866Stomach toxicity against third-instar Ostrinia nubilalis (European corn borer) in compound treated fresh corn leaves assessed as insecticidal activity at 200 mg/L measured after 4 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1081863Stomach toxicity against third-instar Plutella xylostella (diamondback moth) in compound treated fresh cabbage leaves assessed as insecticidal activity at 200 mg/L measured after 3 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1081862Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 10 mg/L measured after 3 days by leaf-dip method2011Journal of agricultural and food chemistry, Jan-26, Volume: 59, Issue:2
Synthesis, crystal structures, insecticidal activities, and structure--activity relationships of novel N'-tert-Butyl-N'-substituted-benzoyl-N-[di(octa)hydro]benzofuran{(2,3-dihydro)benzo[1,3]([1,4])dioxine}carbohydrazide derivatives.
AID1111388Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay2010Pest management science, May, Volume: 66, Issue:5
Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays.
AID1111376Ratio of LD50 for Spodoptera littoralis to LD50 for Bombyx mori2010Pest management science, May, Volume: 66, Issue:5
Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays.
AID1080596Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 100 mg/kg measured after 4 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1080580Toxicity against fourth-instar larvae of Culex pipiens pallens assessed as mortality at 0.5 mg/kg measured after 7 to 10 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
AID1091958Hydrophobicity, log P of the compound in octanol-water by shaking-flask method2011Journal of agricultural and food chemistry, Apr-13, Volume: 59, Issue:7
Importance of physicochemical properties for the design of new pesticides.
AID1080591Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 2.5 mg/kg measured after 4 days2009Journal of agricultural and food chemistry, Mar-25, Volume: 57, Issue:6
Synthesis and insecticidal activities and SAR studies of novel benzoheterocyclic diacylhydrazine derivatives.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (14)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's5 (35.71)29.6817
2010's8 (57.14)24.3611
2020's1 (7.14)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 24.06

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.

MetricThis Compound (vs All)
Research Demand Index24.06 (24.57)
Research Supply Index2.77 (2.92)
Research Growth Index4.59 (4.65)
Search Engine Demand Index36.71 (26.88)
Search Engine Supply Index3.00 (0.95)

This Compound (24.06)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (6.67%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other14 (93.33%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
coumarin
2H-chromen-2-one: coumarin derivative		2.4520coumarinsfluorescent dye;
human metabolite;
plant metabolite
2-cresol
2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.		2.0310cresolhuman xenobiotic metabolite
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).		2.4520monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
hydroquinone
[no description available]		2.0310benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
indole
[no description available]		2.0310indole;
polycyclic heteroarene		Escherichia coli metabolite
indoleacetic acid
indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group.		2.0310indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
phenol
[no description available]		2.0310phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
tryptamine
[no description available]		2.0310aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines		human metabolite;
mouse metabolite;
plant metabolite
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.		2.0610chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
phenytoin
[no description available]		2.4520imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acebutolol
Acebutolol: A cardioselective beta-1 adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm, as well as weak inherent sympathomimetic action.. acebutolol : An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.		2.4520aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acephate
acephate : A phosphoramide that is methamidophos in which one of the hydrogens is replaced by an acetyl group.		2.0610mixed 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.		2.4520acetamides;
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
alachlor
alachlor : An aromatic amide that is N-(2,6-diethylphenyl)acetamide substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom.		2.0610aromatic amide;
monocarboxylic acid amide;
organochlorine compound		environmental contaminant;
herbicide;
xenobiotic
alprenolol
Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent.. alprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.		2.4520secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
theophylline
[no description available]		2.4520dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
antipyrine
Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2.		2.4520pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
atrazine
[no description available]		2.4520chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
bentazone
bentazone: RN given refers to parent cpd; structure. bentazone : A benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3.		2.0610benzothiadiazineenvironmental contaminant;
herbicide;
xenobiotic
caffeine
[no description available]		2.4520purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
verapamil
Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.		2.4520aromatic ether;
nitrile;
polyether;
tertiary amino compound
clonidine
Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.		2.4520clonidine;
imidazoline
desipramine
Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.		2.4520dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
diazinon
Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide.. diazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.		2.4520organic thiophosphate;
pyrimidines		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
dichlobanil
2,6-dichlorobenzonitrile : A nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide.		2.0610dichlorobenzene;
nitrile		agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
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.		2.06103-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene		environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic
fenthion
Fenthion: Potent cholinesterase inhibitor used as an insecticide and acaricide.. fenthion : An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits acaricidal and insecticidal activities.		2.0610organic thiophosphateacaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
fipronil
fipronil: has low mammalian toxicity; structure given in first source. fipronil : A racemate comprising equimolar amounts of (R)- and (S)-fipronil.. 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile : A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively.		2.0610(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide
furosemide
Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.		2.4520chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
hydrochlorothiazide
Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.		2.4520benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine		2.4520monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
imipramine
Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.		2.4520dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indolepropionic acid
indolepropionic acid: structure in third source. 3-(1H-indol-3-yl)propanoic acid : An indol-3-yl carboxylic acid that is propionic acid substituted by a 1H-indol-3-yl group at position 3.		2.0310indol-3-yl carboxylic acidauxin;
human metabolite;
plant metabolite
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.		2.4520benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
labetalol
Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.. labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.. 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.		2.4520benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
methomyl
Methomyl: A carbamate insecticide with anticholinesterase activity.. methomyl : A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime.		2.0610aliphatic sulfide;
carbamate ester		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
nematicide;
xenobiotic
metoprolol
Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS.. metoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.		2.4520aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
fenamic acid
fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd. fenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs.		2.0310aminobenzoic acid;
secondary amino compound		membrane transport modulator
norfloxacin
Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.		2.4520fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
oxprenolol
Oxprenolol: A beta-adrenergic antagonist used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety.		2.4520aromatic ether
pindolol
Pindolol: A moderately lipophilic beta blocker (ADRENERGIC BETA-ANTAGONISTS). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638). pindolol : A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol.		2.4520indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
pirenzepine
Pirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients.		2.4520pyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
practolol
Practolol: A beta-1 adrenergic antagonist that has been used in the emergency treatment of CARDIAC ARRYTHMIAS.. practolol : N-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias.		2.4520acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist
propranolol
Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.		2.4520naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
ranitidine
[no description available]		2.4520aralkylamine
trifluralin
Trifluralin: A microtubule-disrupting pre-emergence herbicide.. trifluralin : A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide.		2.0610(trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
trimethoprim
Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.		2.4520aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
corticosterone
[no description available]		2.452011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
prednisolone
Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.		2.452011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
chloramphenicol
Amphenicol: Chloramphenicol and its derivatives.		2.4520C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
aminopyrine
Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.. aminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties.		2.4520pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
aniline
[no description available]		2.0310anilines;
primary arylamine
diethyl phthalate
diethyl phthalate: structure. diethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid.		2.0310diester;
ethyl ester;
phthalate ester		neurotoxin;
plasticiser;
teratogenic agent
2-nitroaniline
[no description available]		2.0310
2-nitrophenol
nitrophenol : Any member of the class of phenols or substituted phenols carrying at least 1 nitro group.		2.03102-nitrophenols
2,5-dichloronitrobenzene
[no description available]		2.0310
diphenyl
diphenyl: RN given refers to unlabeled cpd; structure		2.0310aromatic fungicide;
benzenes;
biphenyls		antifungal agrochemical;
antimicrobial food preservative
2-chloroaniline
[no description available]		2.0310
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms.		2.03102-halophenol;
monochlorophenol
3-nitroaniline
3-nitroaniline: used as a sole source of nitrogen , carbon and energy		2.0310
4-nitroaniline
[no description available]		2.0310nitroanilinebacterial xenobiotic metabolite
2,4-dimethylphenol
2,4-dimethylphenol: RN given refers to parent cpd. 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4.		2.0310aromatic fungicide;
phenols		disinfectant;
volatile oil component
4-chloroaniline
4-chloroaniline: RN given refers to parent cpd; structure. 4-chloroaniline : A chloroaniline in which the chloro atom is para to the aniline amino group.		2.0310chloroaniline;
monochlorobenzenes
3-chloroaniline
3-chloroaniline: RN given refers to parent cpd		2.0310
2,4-dichlorophenol
2,4-dichlorophenol: RN given refers to unlabeled parent+ cpd; structure. 2,4-dichlorophenol : A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4.		2.0310dichlorophenol
dimethyl phthalate
dimethyl phthalate: used as plasticizer in computer mouse; structure		2.0310diester;
methyl ester;
phthalate ester
hydrazine
diamine : Any polyamine that contains two amino groups.		3.6790azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
bromacil
bromacil: RN given refers to parent cpd; structure. bromacil : A racemate consisting of equimolar concentrations of (R)- and (S)-bromacil.. 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione : A pyrimidone that is pyrimidine-2,4(1H,3H)-dione substituted by a bromo group at position 5, a butan-2-yl group at position 3 and a methyl group at position 6.		2.0610organobromine compound;
pyrimidone
linuron
Linuron: A selective pre- and post-emergence herbicide. (From Merck Index, 11th ed). linuron : A member of the class of phenylureas that is N-methyl urea substituted by a methoxy group at position 1 and a 3,4-dichlorophenyl group at position 3.		2.0610dichlorobenzene;
phenylureas		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
tryptophol
tryptophol : An indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2.		2.0310indolyl alcoholauxin;
plant metabolite;
Saccharomyces cerevisiae metabolite
3-nitrophenol
[no description available]		2.03103-nitrophenols
diphenylamine
Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.		2.0310aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
4-cyanophenol
4-cyanophenol: reversible monoamine oxidase inhibitor		2.0310phenolsEC 1.4.3.4 (monoamine oxidase) inhibitor
methidathion
methidathion: widely used on citrus, tobacco, alfalfa, cotton, sorghum & several other crops		2.4520organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
phenthoate, (+-)-isomer
phenthoate: RN given refers to cpd without isomeric designation; structure. phenthoate : An organic thiophosphate that is ethyl mandelate in which the hydroxy group has been replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.		2.0610ethyl ester;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
asulam
asulam: wild oat herbicide used in prairie regions for control of wild oats in cereal grains such as wheat; RN given refers to parent cpd. asulam : A carbamate ester that is methyl carbamate substituted by a (4-aminophenyl)sulfonyl group at the nitrogen atom. A dihydropteroate synthase inhibitor, it is used (normally as the corresponding sodium salt, asulam-sodium) as a herbicide, mainly for killing bracken.		2.0610carbamate ester;
primary amino compound;
substituted aniline;
sulfonamide		agrochemical;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
ecdysone
[no description available]		7.011014alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid		prohormone
bpmc
BPMC: structure. fenobucarb : A carbamate ester obtained by the formal condensation of 2-sec-butylphenol with methylcarbamic acid.		2.4520carbamate esteragrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
herbicide;
insecticide
salithion
salithion: causes irreversible ataxia in chicken, mice & sheep; structure in Pesticide Index, 5th ed, p.202		2.4520organic thiophosphate
cyanazine
cyanazine: structure. cyanazine : A chloro-1,3,5-triazine that is 2-chloro-1,3,5-triazine substituted by an ethyl amino and a (2-cyanopropan-2-yl)amino group at positions 6 and 4 respectively.		2.06101,3,5-triazinylamino nitrile;
chloro-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
fenitrothion
Fenitrothion: An organothiophosphate cholinesterase inhibitor that is used as an insecticide.. fenitrothion : An organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4.		2.0610C-nitro compound;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
pyrene
pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.		2.0310ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
o,o-diisopropyl-s-benzylthiophosphate
O,O-diisopropyl-S-benzylthiophosphate: structure. iprobenfos : An organic thiophosphate that is the S-benzyl O,O-diisopropyl ester of phosphorothioic acid. Used as a rice fungicide to control leaf and ear blast, stem rot and sheath blight.		2.0310organic thiophosphateantifungal agrochemical;
phospholipid biosynthesis inhibitor
benthiocarb
Saturn: The sixth planet in order from the sun. It is one of the five outer planets of the solar system. Its twelve natural satellites include Phoebe and Titan.		2.4520monochlorobenzenes;
monothiocarbamic ester
sq-11725
Nadolol: A non-selective beta-adrenergic antagonist with a long half-life, used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. Nadolol is also used for MIGRAINE DISORDERS and for tremor.. nadolol : Nadolol is a diastereoisomeric mixture consisting of equimolar amounts of the four possible 2,3-cis-isomers of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.		2.4520
diltiazem
Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.. diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension.		2.45205-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
benfuracarb
benfuracarb: a procarbamate insecticide		2.06101-benzofurans;
carbamate ester;
ethyl ester		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
indole-3-carboxylic acid
indole-3-carboxylic acid : An indole-3-carboxylic acid carrying a carboxy group at position 3.		2.0310indol-3-yl carboxylic acidbacterial metabolite;
human metabolite
ethofenprox
ethofenprox: synthetic pyrethroid for insecticidal efficacy against mosquito larvae & on non-target organisms. etofenprox : An aromatic ether that is the 3-phenoxybenzyl ether of 2-(4-ethoxyphenyl)-2-methylpropan-1-ol.		2.0610aromatic etherpyrethroid ether insecticide
1,2-dibenzoyl-tert-butylhydrazine
1,2-dibenzoyl-tert-butylhydrazine: structure given in first source		3.1350bisacylhydrazine insecticide
tebufenozide
tebufenozide: structure given in first source. tebufenozide : A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by tert-butyl, 3,5-dimethylbenzoyl and 4-ethylbenzoyl groups respectively. It is an insecticide used widely against caterpillars.		3.1450carbohydrazideecdysone agonist;
environmental contaminant;
xenobiotic
chlorfenapyr
chlorfenapyr: an experimental pour-on formulation, a new generation pyrethroid available to producers. chlorfenapyr : A member of the class of pyrroles that is 4-bromo-1H-pyrrole-3-carbonitrile which is substituted at positions 1, 2 and 5 by ethoxymethyl, p-chlorophenyl and trifluoromethyl groups, respectively. A proinsecticide used for termite control and crop protection against several insects and mite pests.		2.0610hemiaminal ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles		proacaricide;
proinsecticide
n-acetyltryptophanamide
[no description available]		2.0310acetamides;
L-tryptophan derivative;
primary carboxamide;
secondary carboxamide
methoxyfenozide
methoxyfenozide: structure in first source. methoxyfenozide : A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by 3-methoxy-2-methylbenzoyl, 3,5-dimethylbenzoyl, and tert-butyl groups respectively.		3.1550carbohydrazide;
monomethoxybenzene		environmental contaminant;
insecticide;
xenobiotic
rh-0345
N-4-chlorobenzoyl-N'-benzoyl-N'-tert-butylhydrazine: structure in first source		2.7430bisacylhydrazine insecticide;
monochlorobenzenes
ponasterone a
ponasterone A: RN given refers to (2 beta,3 beta,5 beta,22R)-isomer		2.011014alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
2beta-hydroxy steroid;
3beta-hydroxy steroid;
6-oxo steroid;
phytoecdysteroid
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.		2.4520methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
tryptophanamide
tryptophanamide: used as inhibitor of chymotrypsin; RN given refers to cpd with unspecified isomeric designation. L-tryptophanamide : An amino acid amide that is the carboxamide of L-tryptophan.		2.0310amino acid amide;
tryptophan derivative		human metabolite
ecdysterone
Ecdysterone: A steroid hormone that regulates the processes of MOLTING or ecdysis in insects. Ecdysterone is the 20-hydroxylated ECDYSONE.. 20-hydroxyecdysone : An ecdysteroid that is ecdysone substituted by a hydroxy group at position 20.		2.422014alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid		animal metabolite;
plant metabolite
cyclo(glycyltryptophyl)
cyclo(glycyltryptophyl): structure in first source		2.0310indolesmetabolite
spiromesifen
spiromesifen: insecticide; structure in first source. spiromesifen : A butenolide that is but-2-en-4-olide bearing a 2,4,6-trimethylphenyl group at position 3, a 3,3-dimethylbutyryloxy group at position 4 and a spiro-fused cyclopentyl ring at position 5.		7.4110butenolideinsecticide
cyclo(tyrosyl-tyrosyl)
cyclo(L-tyrosyl-L-tyrosyl) : A cyclo(tyrosyl-tyrosyl) in which both stereocentres have L-configuration. Synthesized by Mycobacterium tuberculosis.		2.0310cyclo(tyrosyl-tyrosyl)metabolite
fufenozide
fufenozide: non-steroidal ecdysone agonist		2.4620
piroxicam
[no description available]		2.4520benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
imidacloprid
(E)-imidacloprid : The E-isomer of imidacloprid.		2.4520imidacloprid;
imidazolidines;
monochloropyridine		environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
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