Compounds > tyrphostin ag825
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tyrphostin ag825

Description

tyrphostin AG825: a tyrphostin of the benzylidene malononitrile family; an erbB2 antagonist [MeSH]

tyrphostin AG 825 : An organic sulfide that consists of 1,3-benzothiazole-2-thiol in which the hydrogen attached to the sulfur atom is replaced by a 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-hydroxy-3-methoxybenzyl group. It acts as an epidermal growth factor receptor antagonist. [CHeBI]

Cross-References

ID SourceID
PubMed CID6091659
CHEMBL ID118109
CHEBI ID75405
MeSH IDM0258016

Synonyms (57)

Synonym
bdbm50036691
(e)-3-[3-(benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide
3-[3-(benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide
BRD-K87919739-001-04-2
BSPBIO_001182
NCGC00025214-01
tocris-1555
HSCI1_000169
BIOMOLKI2_000018
IDI1_002186
BCBCMAP01_000031
BIOMOLKI_000008
NCGC00025214-02
ag 825
NCGC00025214-03
NCGC00025214-04
tyrphostin ag825
SR-01000597586-2
SR-01000597586 ,
HMS1990L03
EC-000.2084
chebi:75405 ,
CHEMBL118109 ,
ag-825 ,
BMK1-B8
HMS1792L03
HMS1362L03
(e)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
149092-50-2
(2e)-3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide
CCG-100612
5-[(benzothiazol-2-yl)thiomethyl]-4-hydroxy-3-methoxybenzylidenecyanoacetamide
tyrphostin ag 825
(e)-3-[3-[2-benzothiazolythio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide
AKOS024456662
HMS3403L03
SR-01000597586-1
tyrphostin ag 825, >=92.5%
J-008550
HY-15844
CS-0009326
(e)-3-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide
Q27145279
ag 825 - cas 149092-50-2
5-[(benzothiazol-2-yl)thiomethyl]-4-hydroxy-3-methoxybenzylidenecyanoacetamide,
HMS3678M07
HMS3414M07
625836-67-1
(2e)-3-[3-[(2-benzothiazolylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide
DTXSID901018047
AMY25957
tyrphostin-ag-825
3-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-hydroxy-5-methoxyphenyl)-2-cyanoacrylamide
NCGC00025214-06
MS-26709
ZFA09250
GLXC-26300

Roles (1)

RoleDescription
epidermal growth factor receptor antagonistAn antagonist at the epidermal growth factor receptor.

Drug Classes (7)

ClassDescription
enamideAn alpha,beta-unsaturated carboxylic acid amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) in which the amide C=O function is conjugated to a C=C double bond at the alpha,beta position.
nitrileA compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it.
phenolsOrganic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
aromatic etherAny ether in which the oxygen is attached to at least one aryl substituent.
benzothiazoles
organic sulfideCompounds having the structure RSR (R =/= H). Such compounds were once called thioethers.
primary carboxamideA carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2.

Protein Targets (35)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency2.8184AID2517
Chain A, HADH2 proteinHomo sapiens (human)Potency26.2000AID886; AID893
Chain B, HADH2 proteinHomo sapiens (human)Potency26.2000AID886; AID893
Chain A, Ferritin light chainEquus caballus (horse)Potency15.8489AID485281
USP1 protein, partialHomo sapiens (human)Potency31.6228AID504865
TDP1 proteinHomo sapiens (human)Potency23.9951AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency19.5835AID1460
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency31.7626AID1030
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency8.8006AID504332
cytochrome P450 2D6 isoform 1Homo sapiens (human)Potency0.0251AID891
cellular tumor antigen p53 isoform aHomo sapiens (human)Potency25.1189AID902
cytochrome P450 2C19 precursorHomo sapiens (human)Potency3.1623AID899
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency39.8107AID894
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency9.8744AID2546; AID2551
cytochrome P450 3A4 isoform 1Homo sapiens (human)Potency3.9811AID884; AID885
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency26.2516AID504327
lethal factor (plasmid)Bacillus anthracis str. A2012Potency1.0000AID912
Gamma-aminobutyric acid receptor subunit piRattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit beta-1Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit deltaRattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit alpha-5Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit alpha-3Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit gamma-1Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit alpha-2Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit gamma-3Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit alpha-6Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit beta-3Rattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)Potency3.9811AID885
GABA theta subunitRattus norvegicus (Norway rat)Potency3.9811AID885
Gamma-aminobutyric acid receptor subunit epsilonRattus norvegicus (Norway rat)Potency3.9811AID885

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Epidermal growth factor receptorHomo sapiens (human)IC5018.4009AID66628; AID66629; AID69711; AID81560; AID81564
Receptor tyrosine-protein kinase erbB-2Homo sapiens (human)IC500.3484AID164335; AID81560

Bioassays (13)

Assay IDTitleYearJournalArticle
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID66629Inhibitory concentration against EGF receptor by autophosphorylation1993Journal of medicinal chemistry, Nov-12, Volume: 36, Issue:23
ISSN: 0022-2623		Tyrphostins. 3. Structure-activity relationship studies of alpha-substituted benzylidenemalononitrile 5-S-aryltyrphostins.
AID69711Inhibitory activity against epidermal growth factor receptor (EGFR)2003Journal of medicinal chemistry, Oct-23, Volume: 46, Issue:22
ISSN: 0022-2623		Receptor-guided alignment-based comparative 3D-QSAR studies of benzylidene malonitrile tyrphostins as EGFR and HER-2 kinase inhibitors.
AID164335Inhibitory activity tested against protein kinase HER-22003Journal of medicinal chemistry, Oct-23, Volume: 46, Issue:22
ISSN: 0022-2623		Receptor-guided alignment-based comparative 3D-QSAR studies of benzylidene malonitrile tyrphostins as EGFR and HER-2 kinase inhibitors.
AID81560Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation1993Journal of medicinal chemistry, Nov-12, Volume: 36, Issue:23
ISSN: 0022-2623		Tyrphostins. 3. Structure-activity relationship studies of alpha-substituted benzylidenemalononitrile 5-S-aryltyrphostins.
AID1888541Antiproliferative activity against human HCC1954 cells measured after 72 hrs by SRB assay2022Bioorganic & medicinal chemistry, 01-01, Volume: 53ISSN: 1464-3391Novel O-acylated (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-one oximes targeting HSP90-HER2 axis in breast cancer cells.
AID81564Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation1993Journal of medicinal chemistry, Nov-12, Volume: 36, Issue:23
ISSN: 0022-2623		Tyrphostins. 3. Structure-activity relationship studies of alpha-substituted benzylidenemalononitrile 5-S-aryltyrphostins.
AID66628Inhibitory concentration against EGF receptor by polyGAT phosphorylation1993Journal of medicinal chemistry, Nov-12, Volume: 36, Issue:23
ISSN: 0022-2623		Tyrphostins. 3. Structure-activity relationship studies of alpha-substituted benzylidenemalononitrile 5-S-aryltyrphostins.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
ISSN: 1464-3405		Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
ISSN: 1872-9096		High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.

Research

Studies (44)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's4 (9.09)18.2507
2000's21 (47.73)29.6817
2010's16 (36.36)24.3611
2020's3 (6.82)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (2.22%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other44 (97.78%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
crotamiton
0
enamide;
tertiary carboxamide		antipruritic drug;
scabicide		00low000000
carboxin
0
anilide fungicide;
anilide;
enamide;
organosulfur heterocyclic compound;
oxacycle;
secondary carboxamide		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor		00low000000
ag-490
0
catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor		00low000000
pipercallosidine
0
alkaloid;
benzodioxoles;
enamide;
secondary carboxamide		apoptosis inducer;
metabolite;
plant metabolite		00low000000
streptogramin a
0
1,3-oxazoles;
cyclic ketone;
enamide;
lactam;
macrolide antibiotic;
macrolide;
pyrroline;
secondary alcohol;
secondary carboxamide;
tertiary carboxamide		antibacterial drug;
Mycoplasma genitalium metabolite		00low000000
dimethomorph
0
aromatic ether;
enamide;
monochlorobenzenes;
morpholine fungicide;
tertiary carboxamide		00low000000
su 1498
0
enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide		vascular endothelial growth factor receptor antagonist00low000000
s 1006
0
1,3-thiazoles;
carbamate ester;
carboxylic acid;
cephalosporin;
enamide;
secondary carboxamide		antibacterial drug00low000000
manumycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antiatherosclerotic agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
marine metabolite		00low000000
asukamycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
SIS3 free base
0
aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide		Smad3 inhibitor00low000000
bibw 2992
0
aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
bl1521
0
enamide;
hydroxamic acid;
monocarboxylic acid amide		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
pha 665752
0
dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide		antineoplastic agent;
c-Met tyrosine kinase inhibitor		00low000000
flumorph
0
aromatic ether;
enamide;
morpholines;
organofluorine compound;
tertiary carboxamide		00low000000
pf 00299804
0
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
lfm a13
0
aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor		00low000000
teriflunomide
0
(trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide		drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor		00low000000
THZ531
0
aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
3-cyanopyridine
0
nitrile;
pyridines		00low000000
4-phenyl-3-furoxancarbonitrile
0
1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile		geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
anastrozole
0
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
bicalutamide
0
(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol		00low000000
verapamil
0
aromatic ether;
nitrile;
polyether;
tertiary amino compound		00low000000
carbonyl cyanide m-chlorophenyl hydrazone
0
hydrazone;
monochlorobenzenes;
nitrile		antibacterial agent;
geroprotector;
ionophore		00low000000
cimaterol
0
benzenes;
nitrile		00low000000
cimetidine
0
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		00low000000
citalopram
0
2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound		00low000000
cypermethrin
0
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound		agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
dichlobanil
0
dichlorobenzene;
nitrile		agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic		00low000000
carbonyl cyanide p-trifluoromethoxyphenylhydrazone
0
aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore		00low000000
fipronil
0
(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide		00low000000
letrozole
0
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
milrinone
0
bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		00low000000
nilvadipine
0
dihydropyridine;
isopropyl ester;
methyl ester;
nitrile		00low000000
periciazine
0
hydroxypiperidine;
nitrile;
phenothiazines		adrenergic antagonist;
first generation antipsychotic;
sedative		00low000000
zaleplon
0
nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative		00low000000
systhane
0
monochlorobenzenes;
nitrile;
triazoles		00low000000
benzonitrile
0
benzenes;
nitrile		00low000000
chloroacetonitrile
0
nitrile00low000000
benzyl cyanide
0
benzenes;
nitrile		animal metabolite;
pheromone		00low000000
pirinitramide
0
nitrile00low000000
cyanamide
0
nitrile;
one-carbon compound		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor00low000000
dicyandiamido
0
guanidines;
nitrile		curing agent;
explosive;
fertilizer;
flame retardant;
nitrification inhibitor		00low000000
ricinine
0
nitrile;
pyridine alkaloid;
pyridone		00low000000
toyocamycin
0
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite		00low000000
2-cyanophenol
0
benzenes;
nitrile		00low000000
1,3-dicyanobenzene
0
nitrile00low000000
diphenoxylate
0
ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine		antidiarrhoeal drug00low000000
ioxynil
0
iodophenol;
nitrile		environmental contaminant;
herbicide;
xenobiotic		00low000000
enbucrilate
0
alpha,beta-unsaturated monocarboxylic acid;
nitrile		00low000000
cyanophenphos
0
benzenes;
nitrile		00low000000
difenoxin
0
nitrile;
piperidinemonocarboxylic acid;
tertiary amine		antidiarrhoeal drug00low000000
decamethrin
0
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound		agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide		00low000000
closantel
0
aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols		00low000000
fluvalinate
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
bezitramide
0
nitrile00low000000
d 888
0
aromatic ether;
nitrile;
tertiary amino compound		anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent		00low000000
cyanopyrazine
0
nitrile;
pyrazines		00low000000
tetracyanoquinodimethane
0
alicyclic compound;
nitrile;
quinodimethane		00low000000
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
0
monochlorobenzenes;
nitrile;
triazoles		00low000000
fludioxonil
0
benzodioxoles;
nitrile;
organofluorine compound;
pyrroles		androgen antagonist;
antifungal agrochemical;
estrogen receptor agonist		00low000000
fenpiclonil
0
dichlorobenzene;
nitrile;
pyrroles		antifungal agrochemical00low000000
chlorfenapyr
0
hemiaminal ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles		proacaricide;
proinsecticide		00low000000
2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile
0
dimethoxybenzene;
nitrile;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite		00low000000
2,3-bis(4-hydroxyphenyl)-propionitrile
0
nitrile;
phenols		estrogen receptor agonist00low000000
cyfluthrin
0
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester insecticide		00low000000
norverapamil
0
aromatic ether;
nitrile;
polyether;
secondary amino compound		00low000000
taxiphyllin
0
beta-D-glucoside;
nitrile		00low000000
thiacloprid
0
monochloropyridine;
nitrile;
thiazolidines		environmental contaminant;
neonicotinoid insectide;
xenobiotic		00low000000
febuxostat
0
1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor00low000000
3,4-epithiobutanenitrile
0
epithionitrile;
nitrile;
thiirane		00low000000
cyc 682
0
nitrile;
nucleoside analogue;
secondary carboxamide		antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug		00low000000
dhurrin
0
beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative;
nitrile		00low000000
aminopotentidine
0
aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline		H2-receptor antagonist00low000000
4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile
0
monochlorobenzenes;
nitrile;
organobromine compound;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles		acaricide;
antifouling biocide;
insecticide		00low000000
2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile
0
benzenes;
nitrile		00low000000
prizes
0
carboxamidine;
monochloropyridine;
nitrile		environmental contaminant;
neonicotinoid insectide;
xenobiotic		00low000000
l 778,123
0
imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor		00low000000
6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
0
nitrile;
pyridines		00low000000
indole-3-acetonitrile
0
indoles;
nitrile		auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite		00low000000
Girgensonine
0
nitrile00low000000
bms 214662
0
benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		00low000000
diclazuril
0
nitrile00low000000
ravuconazole
0
1,3-thiazoles;
fluorobenzenes;
nitrile;
tertiary alcohol;
triazoles		antifungal drug;
antileishmanial agent;
EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor		00low000000
mesoxalonitrile
0
alpha-ketonitrile;
nitrile		00low000000
3-[di(propan-2-yl)phosphorylmethyl]benzonitrile
0
benzenes;
nitrile		00low000000
crotononitrile
0
nitrile00low000000
2,6-diamino-4-(1-phenylethyl)-4H-thiopyran-3,5-dicarbonitrile
0
nitrile;
organosulfur heterocyclic compound		00low000000
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile
0
nitrile;
pyridines		00low000000
trilostane
0
17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile		abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor		00low000000
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
0
nitrile;
pyridines		00low000000
6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile
0
nitrile;
organic sulfide;
organosulfur heterocyclic compound;
oxaspiro compound		00low000000
iFSP1
0
aromatic amine;
nitrile;
primary amino compound;
pyridobenzimidazole;
toluenes		antineoplastic agent;
ferroptosis inducer;
ferroptosis suppressor protein 1 inhibitor		00low000000
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile
0
benzenes;
nitrile		00low000000
2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile
0
nitrile;
pyridines		00low000000
4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile
0
nitrile;
pyridines		00low000000
3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone
0
bromophenol;
nitrile;
pyridone		00low000000
4-(1H-imidazol-1-ylmethyl)benzonitrile
0
benzenes;
nitrile		00low000000
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile
0
monochlorobenzenes;
nitrile;
pyrimidone;
triazoles		00low000000
6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
0
nitrile;
pyridines		00low000000
4,6-dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
0
nitrile;
pyridines		00low000000
2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
0
nitrile;
pyridines		00low000000
2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
0
nitrile;
pyridines		00low000000
2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]acetonitrile
0
nitrile00low000000
5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile
0
nitrile;
pyridines		00low000000
2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile
0
nitrile;
pyridines		00low000000
2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile
0
benzenes;
nitrile		00low000000
4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile
0
benzenes;
nitrile		00low000000
or 1259
0
hydrazone;
nitrile;
pyridazinone		anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent		00low000000
azoxystrobin
0
aryloxypyrimidine;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
methyl ester;
nitrile		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor;
xenobiotic		00low000000
fipronil sulfone
0
(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
pyrazoles;
sulfone		marine xenobiotic metabolite00low000000
4-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]benzonitrile
0
biphenyls;
nitrile		00low000000
nafadotride
0
aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound		dopaminergic antagonist00low000000
entacapone
0
2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor		00low000000
cyhalothrin
0
aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile
0
nitrile;
pyridines		00low000000
alpha-cyano-4-hydroxycinnamic acid
0
monohydroxycinnamic acid;
nitrile;
phenols		MALDI matrix material00low000000
bosutinib
0
aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
bay 11-7082
0
nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor		00low000000
bay 11-7085
0
benzenes;
nitrile;
sulfone		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor		00low000000
alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile
0
nitrile00low000000
ekb 569
0
aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile		protein kinase inhibitor00low000000
rilpivirine
0
aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor		00low000000
vilazodone
0
1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile		antidepressant;
serotonergic agonist;
serotonin uptake inhibitor		00low000000
isavuconazole
0
1,3-thiazoles;
conazole antifungal drug;
difluorobenzene;
nitrile;
tertiary alcohol;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor;
orphan drug		00low000000
flonicamid
0
nitrile;
organofluorine compound;
pyridinecarboxamide		environmental contaminant;
insecticide;
xenobiotic		00low000000
cyazofamid
0
imidazole fungicide;
imidazoles;
nitrile;
organochlorine compound;
sulfamides;
sulfonamide fungicide		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
hki 272
0
nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
perampanel
0
bipyridines;
nitrile;
pyridone		AMPA receptor antagonist;
anticonvulsant		00low000000
tofacitinib
0
N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
0
1,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor00low000000
ethaboxam
0
1,3-thiazoles;
aromatic amide;
aromatic amine;
nitrile;
secondary amino compound;
thiophenes		00low000000
bms 477118
0
adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		00low000000
alogliptin
0
nitrile;
piperidines;
primary amino compound;
pyrimidines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		00low000000
cyflumetofen
0
(trifluoromethyl)benzenes;
2-methoxyethyl ester;
beta-ketoester;
nitrile		00low000000
finafloxacin
0
cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent		00low000000
cyantraniliprole
0
nitrile;
organobromine compound;
organochlorine compound;
pyrazole insecticide;
pyridines;
secondary carboxamide		ryanodine receptor agonist00low000000
dactolisib
0
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile)
0
(trifluoromethyl)benzenes;
aromatic ketone;
beta-diketone;
cyclopropanes;
nitrile;
sulfone		agrochemical;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
herbicide		00low000000
mdv 3100
0
(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent		00low000000
trelagliptin
0
benzenes;
nitrile		00low000000
sulfoxaflor
0
nitrile;
organofluorine compound;
pyridines;
sulfoximide		00low000000
cyenopyrafen
0
nitrile;
pivalate ester;
pyrazoles		agrochemical;
proacaricide		00low000000
SL-327
0
(trifluoromethyl)benzenes;
enamine;
nitrile;
organic sulfide;
primary amino compound;
substituted aniline		EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor;
neuroprotective agent		00low000000
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide
0
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
incb-018424
0
nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
glasdegib
0
benzimidazoles;
nitrile;
phenylureas;
piperidines		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
baricitinib
0
azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent		00low000000
monepantel
0
(trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide		anthelminthic drug;
nematicide		00low000000
GS-441524
0
aromatic amine;
C-nucleoside;
nitrile;
pyrrolotriazine		anticoronaviral agent;
antiviral agent;
drug metabolite		00low000000
an2728
0
aromatic ether;
benzoxaborole;
nitrile		antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor		00low000000
tak-632
0
(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor		00low000000
alectinib
0
aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
delgocitinib
0
azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide		anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
GS-443902
0
aromatic amine;
C-nucleoside;
nitrile;
organic triphosphate;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
drug metabolite		00low000000
pf-06463922
0
aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
s 8932
0
aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
prodrug		00low000000
AZ3451
0
benzimidazoles;
benzodioxoles;
nitrile;
organobromine compound;
secondary carboxamide		anti-inflammatory agent;
autophagy inducer;
PAR2 negative allosteric modulator		00low000000
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile
0
hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor		00low000000
nirmatrelvir
0
azabicyclohexane;
nitrile;
organofluorine compound;
pyrrolidin-2-ones;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor		00low000000
3-hydroxybenzyl alcohol
0
hydroxybenzyl alcohol;
phenols		metabolite00low000000
4-hydroxybenzyl alcohol
0
benzyl alcohols;
phenols		plant metabolite00low000000
4-hydroxyphenylacetic acid
0
monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite		00low000000
4-hydroxymandelic acid
0
2-hydroxy carboxylic acid;
phenols		metabolite00low000000
4-vinylguaiacol
0
phenolsflavouring agent;
pheromone;
plant metabolite		00low000000
4-hydroxyphenylglyoxylic acid
0
phenols00low000000
melilotic acid
0
monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite		00low000000
n-acetylserotonin
0
acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist		00low000000
4-hydroxyphenylpyruvic acid
0
2-oxo monocarboxylic acid;
phenols		human metabolite00low000000
phenol
0
phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite		00low000000
vanillin
0
benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite		00low000000
8-hydroxy-2-(di-n-propylamino)tetralin
0
phenols;
tertiary amino compound;
tetralins		serotonergic antagonist00low000000
vanilmandelic acid
0
2-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite00low000000
3-hydroxybenzylhydrazine
0
phenols00low000000
3-methoxytyramine
0
monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		biomarker;
human blood serum metabolite;
human urinary metabolite		00low000000
4-hydroxybenzoic acid hydrazide
0
carbohydrazide;
phenols		00low000000
3-hydroxy-4-methoxyphenethylamine
0
monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		human metabolite;
rat metabolite		00low000000
4-nonylphenol
0
phenolsenvironmental contaminant00low000000
acetaminophen
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		00low000000
albuterol
0
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		00low000000
amodiaquine
0
aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
capsaicin
0
methoxybenzenes;
phenols		00low000000
chloroxylenol
0
monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide		00low000000
nonivamide
0
capsaicinoid;
phenols		lachrymator00low000000
dienestrol
0
olefinic compound;
phenols		xenoestrogen00low000000
edrophonium
0
phenols;
quaternary ammonium ion		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor		00low000000
etilefrine
0
phenols00low000000
fluorescite
0
benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium		00low000000
formoterol fumarate
0
formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound		00low000000
labetalol
0
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound		00low000000
ly 171883
0
acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist		00low000000
mesalamine
0
amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug00low000000
norfenefrine
0
phenols00low000000
ns 1619
0
(trifluoromethyl)benzenes;
benzimidazoles;
phenols		potassium channel opener00low000000
oxymetazoline
0
carboxamidine;
imidazolines;
phenols		alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		00low000000
oxyphenbutazone
0
phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite		00low000000
aminosalicylic acid
0
aminobenzoic acid;
phenols		antitubercular agent00low000000
phenolphthalein
0
phenols00low000000
phenolsulfonphthalein
0
2,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator		00low000000
Phenyliodoundecynoate
0
benzoate ester;
phenols		00low000000
propofol
0
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		00low000000
psilocin
0
hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid		drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist		00low000000
raloxifene
0
1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		00low000000
resorcinol monoacetate
0
phenols;
phenyl acetates		antibacterial agent;
dermatologic drug		00low000000
salicylamide
0
phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic		00low000000
salmeterol xinafoate
0
ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound		00low000000
salicylsalicylic acid
0
benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
sb 202190
0
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
sulfobromophthalein
0
2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye00low000000
triclosan
0
aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic		00low000000
phentolamine
0
imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent		00low000000
estrone
0
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		00low000000
17-desoxyestradiol
0
3-hydroxy steroid;
phenolic steroid;
phenols		estrogen00low000000
n-methyl-4-aminophenol
0
phenolsallergen00low000000
phenylephrine
0
phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent		00low000000
isoamyl salicylate
0
benzoate ester;
phenols		00low000000
glycol salicylate
0
phenols;
primary alcohol;
salicylates		00low000000
2-tert-butyl-4-hydroxyanisole
0
aromatic ether;
phenols		00low000000
2-isopropylphenol
0
phenols00low000000
2-sec-butylphenol
0
phenols00low000000
thymol
0
monoterpenoid;
phenols		volatile oil component00low000000
2-ethylphenol
0
phenols00low000000
pyrogallol 1,3-dimethyl ether
0
dimethoxybenzene;
phenols		plant metabolite00low000000
acetyleugenol
0
benzoate ester;
phenols		00low000000
creosol
0
methoxybenzenes;
phenols		00low000000
synephrine
0
ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite		00low000000
propylparaben
0
benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent		00low000000
3,4-dimethylphenol
0
phenols00low000000
2,5-xylenol
0
phenolsanimal metabolite;
volatile oil component		00low000000
2,4-di-tert-butylphenol
0
alkylbenzene;
phenols		antioxidant;
bacterial metabolite;
marine metabolite		00low000000
sulfosalicylic acid
0
arenesulfonic acid;
benzoic acids;
phenols		metabolite00low000000
butylphen
0
phenolsallergen00low000000
4-isopropylphenol
0
phenolsflavouring agent00low000000
2,4-dimethylphenol
0
aromatic fungicide;
phenols		disinfectant;
volatile oil component		00low000000
3,5-xylenol
0
phenolsxenobiotic metabolite00low000000
oxyphenisatin acetate
0
benzoate ester;
phenols		00low000000
bromphenol blue
0
2,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
phenols;
sultone		acid-base indicator;
dye;
two-colour indicator		00low000000
phenyl salicylate
0
benzoate ester;
phenols;
salicylates		ultraviolet filter00low000000
homosalate
0
benzoate ester;
phenols		00low000000
benzyl salicylate
0
benzoate ester;
phenols		00low000000
2-ethylhexyl salicylate
0
benzoate ester;
phenols		00low000000
2'-hydroxyacetophenone
0
monohydroxyacetophenone;
phenols		flavouring agent00low000000
3-tert-butyl-4-hydroxyanisole
0
aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite		00low000000
ethyl vanillin
0
aromatic ether;
benzaldehydes;
phenols		antioxidant;
flavouring agent		00low000000
p-cresyl acetate
0
benzoate ester;
phenols		00low000000
3-hydroxyanisole
0
monomethoxybenzene;
phenols		00low000000
mequinol
0
methoxybenzenes;
phenols		metabolite00low000000
ethamivan
0
methoxybenzenes;
phenols		00low000000
4-hydroxyphenyllactic acid
0
2-hydroxy carboxylic acid;
phenols		bacterial metabolite;
human metabolite		00low000000
plumbagin
0
hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite		00low000000
topanol 354
0
methoxybenzenes;
phenols		00low000000
carvacrol
0
botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols		agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component		00low000000
phloroglucinol dimethyl ether
0
methoxybenzenes;
phenols		00low000000
4-hydroxyphenylethanol
0
phenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent		00low000000
syringic acid
0
benzoic acids;
dimethoxybenzene;
phenols		plant metabolite00low000000
methoxyhydroxyphenylglycol
0
methoxybenzenes;
phenols		00low000000
paeonol
0
methoxybenzenes;
phenols		metabolite00low000000
2-hydroxyphenylacetic acid
0
hydroxy monocarboxylic acid;
phenols		human metabolite;
mouse metabolite		00low000000
2-hydroxyacetanilide
0
acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite		00low000000
3-ethylphenol
0
phenols00low000000
3-hydroxybenzeneacetic acid
0
monocarboxylic acid;
phenols		human xenobiotic metabolite00low000000
3-hydroxyacetanilide
0
acetamides;
phenols		non-narcotic analgesic00low000000
isovanillin
0
benzaldehydes;
monomethoxybenzene;
phenols		animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite		00low000000
4-Ethoxyphenol
0
aromatic ether;
phenols		00low000000
bulbocapnine
0
aporphine alkaloid;
aromatic ether;
oxacycle;
phenols		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite		00low000000
2-propylphenol
0
phenolsflavouring agent;
plant metabolite		00low000000
4-cyanophenol
0
phenolsEC 1.4.3.4 (monoamine oxidase) inhibitor00low000000
2-(2'-hydroxyphenyl)benzoxazole
0
1,3-benzoxazoles;
phenols		geroprotector00low000000
ethyl n-alpha-acetyl-tyrosinate
0
acetamides;
ethyl ester;
L-tyrosine derivative;
phenols		00low000000
fenadiazole
0
1,3,4-oxadiazoles;
biaryl;
phenols		sedative00low000000
amylmetacresol
0
phenolsantiseptic drug00low000000
4-chloro-2-cresol
0
monochlorobenzenes;
phenols		00low000000
antimycin a
0
benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide		00low000000
isobarbaloin
0
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		00low000000
dinoterb
0
C-nitro compound;
phenols		00low000000
4-n-Butylphenol
0
phenols00low000000
bromoxynil
0
dibromobenzene;
hydroxynitrile;
phenols		environmental contaminant;
herbicide;
xenobiotic		00low000000
2-allylphenol
0
phenolsantifungal agrochemical00low000000
4-octylphenol
0
phenolsmetabolite;
surfactant;
xenoestrogen		00low000000
3-methoxy-4-hydroxyphenylethanol
0
methoxybenzenes;
phenols		00low000000
acetosyringone
0
acetophenones;
dimethoxybenzene;
phenols		anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite		00low000000
bis(4-oxyphenyl)sulfide
0
phenols00low000000
hydroxyphenytoin
0
imidazolidine-2,4-dione;
phenols		metabolite00low000000
2-(2-hydroxyphenyl)benzothiazole
0
benzothiazoles;
phenols		geroprotector00low000000
cue-lure
0
benzoate ester;
phenols		00low000000
methyl vanillate
0
aromatic ether;
benzoate ester;
phenols		antioxidant;
plant metabolite		00low000000
2-isopropoxyphenol
0
aromatic ether;
phenols		00low000000
raspberry ketone
0
methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite		00low000000
laurolitsine
0
aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite		00low000000
4-n-Pentylphenol
0
phenols00low000000
zingerone
0
methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent		00low000000
4-ethylphenol
0
phenolsfungal xenobiotic metabolite00low000000
butylated hydroxytoluene
0
phenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector		00low000000
2,6-di-tert-butylphenol
0
alkylbenzene;
phenols		antioxidant00low000000
dimethophrine
0
methoxybenzenes;
phenols		00low000000
4-vinyl-2,6-dimethoxyphenol
0
methoxybenzenes;
phenols		00low000000
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
0
chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor		00low000000
fomesafen
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
naxagolide
0
organic heterotricyclic compound;
phenols;
tertiary amino compound		anticonvulsant;
antiparkinson drug;
dopamine agonist		00low000000
4-vinylphenol
0
phenolshuman urinary metabolite;
human xenobiotic metabolite		00low000000
4-ethylguaiacol
0
methoxybenzenes;
phenols		00low000000
nelfinavir
0
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		00low000000
salicylhydroxamic acid
0
hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug		00low000000
guaethol
0
aromatic ether;
phenols;
volatile organic compound		flavouring agent00low000000
cresatin
0
benzoate ester;
phenols		00low000000
4-trifluoromethylphenol
0
(trifluoromethyl)benzenes;
phenols		drug metabolite;
marine xenobiotic metabolite		00low000000
3-pentadecylphenol
0
phenols00low000000
chavicol
0
phenols;
phenylpropanoid		00low000000
ibopamine
0
benzoate ester;
phenols		00low000000
4-methoxyestradiol
0
17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols		estrogen;
human metabolite;
rat metabolite		00low000000
2-hydroxy-4-methoxybenzaldehyde
0
methoxybenzenes;
phenols		00low000000
methyl syringate
0
benzoate ester;
dimethoxybenzene;
phenols		plant metabolite00low000000
vanitiolide
0
methoxybenzenes;
phenols		00low000000
tubulosine
0
beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound		00low000000
rubrofusarin
0
aromatic ether;
benzochromenone;
phenols;
polyketide		biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite		00low000000
dauricine
0
aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite00low000000
2,5-di-tert-butyl-4-hydroxyanisole
0
methoxybenzenes;
phenols		00low000000
methyl gentisate
0
benzoate ester;
phenols		00low000000
4-hydroxyindole
0
hydroxyindoles;
phenols		00low000000
benzoyltyrosine ethyl ester
0
benzamides;
ethyl ester;
L-tyrosine derivative;
phenols		chromogenic compound00low000000
methyl 3-(4-hydroxyphenyl)propionate
0
methyl ester;
phenols		nitrification inhibitor;
plant growth regulator		00low000000
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene
0
phenols00low000000
acetaminophen mercapturate
0
acetamides;
organic sulfide;
phenols;
S-substituted N-acetyl-L-cysteine		drug metabolite;
human urinary metabolite;
rat metabolite		00low000000
adriamycinol
0
aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones		cardiotoxic agent;
drug metabolite		00low000000
3-hydroxymandelic acid
0
2-hydroxy monocarboxylic acid;
phenols		human metabolite00low000000
n-acetyltyrosine, (dl)-isomer
0
N-acetyl-amino acid;
phenols;
tyrosine derivative		human urinary metabolite00low000000
2-tyrosine
0
non-proteinogenic alpha-amino acid;
phenols;
phenylalanine derivative		00low000000
2-amino-5-chlorophenol
0
monochlorobenzenes;
phenols;
primary amino compound		00low000000
beta-peltatin
0
furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite		00low000000
alpha-peltatin
0
furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite		00low000000
laudanine
0
aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate		00low000000
tyrphostin 8
0
phenols00low000000
4-hydroxymexiletine
0
aromatic ether;
phenols		00low000000
sugiol
0
abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger		00low000000
gamma-glutamyltyrosine
0
dicarboxylic acid;
dipeptide;
phenols;
primary amino compound;
secondary carboxamide		human metabolite00low000000
6-paradol
0
ketone;
monomethoxybenzene;
phenols		00low000000
2-hydroxy-5-methoxybenzaldehyde
0
benzaldehydes;
monomethoxybenzene;
phenols		00low000000
4-(4-hydroxyphenyl)-2-butanol
0
phenols00low000000
tetrangulol
0
p-quinones;
phenols;
tetraphenes		bacterial metabolite00low000000
terphenyllin
0
dimethoxybenzene;
para-terphenyl;
phenols		Aspergillus metabolite;
mycotoxin		00low000000
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid
0
dihydroxy monocarboxylic acid;
phenols		human urinary metabolite00low000000
sn 38
0
delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
ly 117018
0
1-benzothiophenes;
aromatic ketone;
N-alkylpyrrolidine;
phenols		bone density conservation agent;
estrogen receptor antagonist;
estrogen receptor modulator		00low000000
5-hydroxypropafenone
0
phenols00low000000
4'-hydroxydiclofenac
0
dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite		00low000000
3-chloro-4-hydroxyphenylacetic acid
0
hydroxy monocarboxylic acid;
monochlorobenzenes;
phenols		mammalian metabolite00low000000
eseroline
0
phenols;
pyrroloindole		human xenobiotic metabolite;
opioid analgesic		00low000000
hydrangenol
0
dihydroisocoumarins;
phenols		anti-allergic agent;
plant metabolite		00low000000
maculosin
0
dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine		metabolite00low000000
2-o-methylpyrogallol
0
methoxybenzenes;
phenols		00low000000
dopamine 3-o-sulfate
0
aryl sulfate;
phenols;
primary amino compound;
zwitterion		human blood serum metabolite;
human urinary metabolite		00low000000
estriol-16 alpha-glucuronide
0
17beta-hydroxy steroid;
3-hydroxy steroid;
beta-D-glucosiduronic acid;
phenols;
steroid glucosiduronic acid		human urinary metabolite00low000000
emodin anthrone
0
anthracenone;
phenols		fungal metabolite00low000000
4'-demethylpodophyllotoxin
0
furonaphthodioxole;
organic heterotetracyclic compound;
phenols		metabolite00low000000
4'-demethylepipodophyllotoxin
0
furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent00low000000
dopamine 4-o-sulfate
0
aryl sulfate;
phenols;
primary amino compound;
zwitterion		human blood serum metabolite;
human urinary metabolite		00low000000
rubimaillin
0
benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite		00low000000
desvenlafaxine
0
cyclohexanols;
phenols;
tertiary amino compound		antidepressant;
drug metabolite;
marine xenobiotic metabolite		00low000000
ay 25545
0
acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
tilivalline
0
indole alkaloid;
indoles;
phenols;
pyrrolobenzodiazepine		bacterial metabolite;
microtubule-stabilising agent;
toxin		00low000000
4-acetamidophenyl-2-thiophenecarboxylate
0
benzoate ester;
phenols		00low000000
yakuchinone-a
0
ketone;
monomethoxybenzene;
phenols		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
cd 437
0
adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist		00low000000
aclacinomycin
0
aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
n-methylserotonin
0
phenols;
tryptamines		human metabolite;
plant metabolite		00low000000
endocrocin
0
monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite00low000000
actinodaphine
0
aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor		00low000000
sulochrin
0
benzophenones;
carboxylic ester;
phenols		metabolite00low000000
isohomovanillic acid
0
aromatic ether;
phenols;
phenylacetic acids		metabolite00low000000
3,5-diiodothyropropionic acid
0
aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols		00low000000
4-hydroxybenzyl isothiocyanate
0
phenols00low000000
4'-demethyldesoxypodophyllotoxin
0
furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite		00low000000
myricanone
0
aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite		00low000000
pannarin
0
aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite		00low000000
gingerdione
0
beta-diketone;
monomethoxybenzene;
phenols		00low000000
etilefrine hydrochloride
0
phenols00low000000
8-gingerol
0
beta-hydroxy ketone;
monomethoxybenzene;
phenols		00low000000
10-gingerol
0
beta-hydroxy ketone;
monomethoxybenzene;
phenols		00low000000
pluviatolide
0
aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols		plant metabolite00low000000
nordihydrocapsaicin
0
methoxybenzenes;
phenols		00low000000
erysodine
0
aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols		antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide		00low000000
isomhpg
0
methoxybenzenes;
phenols		00low000000
rubrofusarin B
0
aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide		Aspergillus metabolite00low000000
top 53
0
furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
2,5-dihydroxybenzyl alcohol
0
aromatic primary alcohol;
phenols		antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite		00low000000
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide
0
anilide fungicide;
aromatic amide;
dichlorobenzene;
monocarboxylic acid amide;
phenols		antifungal agrochemical;
EC 1.14.13.72 (methylsterol monooxygenase) inhibitor;
sterol biosynthesis inhibitor		00low000000
deferasirox
0
benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator00low000000
succinobucol
0
benzoate ester;
phenols		00low000000
fonsecin
0
aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols		Aspergillus metabolite;
marine metabolite		00low000000
4-allyl-2,6-dimethoxyphenol
0
dimethoxybenzene;
phenols;
phenylpropanoid		00low000000
lariciresinol
0
aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol		antifungal agent;
plant metabolite		00low000000
4-(2-Amino-1,3-thiazol-4-yl)phenol
0
phenols00low000000
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene
0
benzoate ester;
phenols		00low000000
maackiain
0
phenols;
pterocarpans		00low000000
2-methoxyestrone
0
17-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols		human metabolite;
mouse metabolite		00low000000
metoprolol tartrate
0
alcohol;
phenols		00low000000
ferruginol
0
abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols		antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent		00low000000
abyssinone i
0
monohydroxyflavanone;
phenols		apoptosis inhibitor;
plant metabolite		00low000000
abyssinone v
0
4'-hydroxyflavanones;
phenols;
trihydroxyflavanone		metabolite00low000000
oxyacanthine
0
bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound		00low000000
agnuside
0
benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside		anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent		00low000000
cleomiscosin a
0
aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite		00low000000
pyochelin
0
monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore		00low000000
yersiniabactin
0
monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore		00low000000
sr 12813
0
organic phosphonate;
phenols		pregnane X receptor agonist00low000000
mycophenolic acid
0
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic		00low000000
stigmatellin
0
aromatic ether;
chromones;
olefinic compound;
phenols		bacterial metabolite;
quinol oxidation site inhibitor		00low000000
afimoxifene
0
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		00low000000
3-hydroxyhippuric acid
0
N-acylglycine;
phenols		metabolite00low000000
aclarubicin
0
aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
teniposide
0
aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
chavibetol
0
methoxybenzenes;
phenols		00low000000
piperlactam s
0
alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite		00low000000
2-hydroxycinnamic acid
0
2-coumaric acid;
phenols		antioxidant;
metabolite		00low000000
2'-hydroxychalcone
0
chalcones;
phenols		anti-inflammatory agent00low000000
6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
0
phenols00low000000
5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
0
methoxybenzenes;
phenols		00low000000
2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol
0
methoxybenzenes;
phenols		00low000000
2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol
0
methoxybenzenes;
phenols		00low000000
acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester
0
benzoate ester;
phenols		00low000000
acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester
0
benzoate ester;
phenols		00low000000
zucapsaicin
0
methoxybenzenes;
phenols		00low000000
2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester
0
benzoate ester;
phenols		00low000000
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester
0
benzoate ester;
phenols		00low000000
acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester
0
benzoate ester;
phenols		00low000000
2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester
0
benzoate ester;
phenols		00low000000
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
0
benzoate ester;
phenols		00low000000
3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
0
benzoate ester;
phenols		00low000000
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester
0
methoxybenzenes;
phenols		00low000000
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester
0
methoxybenzenes;
phenols		00low000000
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
0
methoxybenzenes;
phenols		00low000000
2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester
0
benzoate ester;
phenols		00low000000
monastrol
0
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor		00low000000
dezocine
0
phenols;
primary amino compound		opioid analgesic00low000000
3-methoxy-4-hydroxyphenylglycol sulfate
0
alcohol;
phenols		00low000000
5-hydroxydiclofenac
0
dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite		00low000000
4-hydroxyphenethylene glycol
0
phenols00low000000
5-hydroxybenzimidazole
0
benzimidazoles;
phenols		bacterial metabolite;
human metabolite;
rat metabolite		00low000000
5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester
0
benzoate ester;
phenols		00low000000
n,o-didesmethylvenlafaxine
0
cyclohexanols;
phenols;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite		00low000000
2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester
0
benzoate ester;
phenols		00low000000
sb 415286
0
C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester
0
benzoate ester;
phenols		00low000000
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester
0
benzoate ester;
phenols		00low000000
3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester
0
benzoate ester;
phenols		00low000000
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole
0
phenols;
pyrazoles		estrogen receptor agonist00low000000
6-iodonordihydrocapsaicin
0
methoxybenzenes;
phenols		00low000000
3-(4-hydroxyphenyl)-1-propane
0
4-hydroxycinnamyl alcohol;
phenols;
phenylpropanoid		monolignol00low000000
sinapaldehyde
0
cinnamaldehydes;
dimethoxybenzene;
phenols		antifungal agent;
plant metabolite		00low000000
mycophenolate mofetil
0
carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug		00low000000
isobutrin
0
beta-D-glucoside;
chalcones;
monosaccharide derivative;
phenols		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite		00low000000
euxanthone
0
phenols;
xanthones		metabolite;
plant metabolite		00low000000
mangostin
0
aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite		00low000000
swerchirin
0
aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite		00low000000
shogaol
0
enone;
monomethoxybenzene;
phenols		00low000000
4-hydroxychalcone
0
chalcones;
phenols		antihypertensive agent;
plant metabolite		00low000000
4'-hydroxychalcone
0
chalcones;
phenols		anti-inflammatory agent;
antineoplastic agent		00low000000
olvanil
0
methoxybenzenes;
phenols		00low000000
n-cinnamoyltyramine
0
cinnamamides;
phenols;
secondary carboxamide		allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor		00low000000
methyl brevifolincarboxylate
0
cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent		00low000000
3-deoxysappanchalcone
0
chalcones;
monomethoxybenzene;
phenols		metabolite00low000000
rhamnazin
0
aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite		00low000000
macluraxanthone b
0
phenols;
xanthones		anti-HIV agent;
antineoplastic agent;
metabolite		00low000000
flavokawain b
0
chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite		00low000000
lichexanthone
0
aromatic ether;
phenols;
xanthones		plant metabolite00low000000
alternariol
0
benzochromenone;
phenols		EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin		00low000000
sorbicillin
0
phenols00low000000
decussatin
0
aromatic ether;
phenols;
xanthones		plant metabolite00low000000
gamma-mangostin
0
phenols;
xanthones		antineoplastic agent;
plant metabolite;
protein kinase inhibitor		00low000000
1,7-dihydroxy-4-methoxyxanthone
0
aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite		00low000000
resiniferatoxin
0
carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone		analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist		00low000000
flavasperone
0
aromatic ether;
naphtho-gamma-pyrone;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite		00low000000
n-feruloylserotonin
0
aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide		plant metabolite00low000000
eupomatenoid 6
0
benzofurans;
phenols		anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite		00low000000
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin
0
organoiodine compound;
phenols;
tertiary amino compound;
tetralins		dopamine agonist00low000000
monorden
0
cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor		00low000000
cefatrizine
0
amino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles		antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor		00low000000
sibiromycin
0
aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial metabolite		00low000000
(8)-shogaol
0
enone;
monomethoxybenzene;
phenols		00low000000
(10)-shogaol
0
enone;
monomethoxybenzene;
phenols		00low000000
arvanil
0
methoxybenzenes;
phenols		00low000000
ro 25-6981
0
benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist		00low000000
3-tyrosine
0
hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols		plant metabolite00low000000
camostat
0
aromatic ether;
phenols		00low000000
jasplakinolide
0
cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent		00low000000
capsiate
0
carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite		00low000000
fr 148083
0
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		00low000000
tmc-95a
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor		00low000000
topopyrone c
0
naphthochromene;
p-quinones;
phenols		antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite		00low000000
pi103
0
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
estin
0
1-benzofurans;
ether;
methyl ester;
organochlorine compound;
oxaspiro compound;
phenols		Aspergillus metabolite;
Penicillium metabolite		00low000000
mdl 105725
0
methoxybenzenes;
phenols		00low000000
ustiloxin b
0
aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin		00low000000
nidulalin a
0
methyl ester;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite		00low000000
hypothemycin
0
aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite		00low000000
vernakalant
0
alcohol;
phenols		00low000000
elloramycin
0
alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin		antimicrobial agent;
bacterial metabolite		00low000000
arachidonoylserotonin
0
N-acylserotonin;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
capsaicin receptor antagonist;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
human metabolite;
signalling molecule		00low000000
avenanthramide b
0
amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
phytoalexin		00low000000
vilanterol
0
benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent		00low000000
lactonamycin
0
gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative		antibacterial agent;
antimicrobial agent;
metabolite		00low000000
nigerloxin
0
aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes		antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger		00low000000
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one
0
diarylheptanoid;
enone;
phenols		plant metabolite00low000000
tmc-95b
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor		00low000000
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one
0
diarylheptanoid;
enone;
phenols		plant metabolite00low000000
cardanol
0
phenols00low000000
glyceryl ferulate
0
1-monoglyceride;
aromatic ether;
enoate ester;
phenols		antioxidant;
plant metabolite;
ultraviolet filter		00low000000
laurinterol
0
organobromine compound;
phenols;
sesquiterpenoid		antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite		00low000000
10-isobutyryloxy-8,9-epoxythymol isobutyrate
0
benzoate ester;
phenols		00low000000
olodaterol
0
aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent		00low000000
diversonol
0
phenols;
tertiary alcohol		antibacterial agent;
metabolite		00low000000
alloin
0
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		00low000000
sarpagine
0
indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound		00low000000
1-O-feruloyl-beta-D-glucose
0
aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols		antioxidant;
plant metabolite		00low000000
ligstroside
0
beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside		antineoplastic agent;
plant metabolite		00low000000
shamixanthone
0
cyclic ketone;
phenols;
pyranoxanthene		metabolite00low000000
siphonazole
0
methoxybenzenes;
phenols		00low000000
vx-770
0
aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone		CFTR potentiator;
orphan drug		00low000000
4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol
0
phenols00low000000
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone
0
methoxybenzenes;
phenols		00low000000
respirantin
0
benzamides;
cyclodepsipeptide;
formamides;
phenols		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
3,4-dihydroxyphenylethanol-elenolic acid dialdehyde
0
alcohol;
phenols		00low000000
avilamycin a
0
benzoate ester;
cyclic acetal;
dichlorobenzene;
oligosaccharide derivative;
ortho ester;
oxaspiro compound;
phenols;
tertiary alpha-hydroxy ketone		antimicrobial agent;
bacterial metabolite		00low000000
cathestatin b
0
dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound		antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite		00low000000
bromophycolide a
0
diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite		00low000000
diorcinol
0
aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite		00low000000
n-trans-feruloyloctopamine
0
methoxybenzenes;
phenols		00low000000
marinopyrrole a
0
aromatic ketone;
organochlorine compound;
phenols;
pyrroles		antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite		00low000000
chondramide c
0
chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
debromoaplysiatoxin
0
aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist		00low000000
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde
0
1-benzofurans;
aldehyde;
phenols		Aspergillus metabolite;
Chaetomium metabolite;
radical scavenger		00low000000
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one
0
diarylheptanoid;
ketone;
phenols		plant metabolite00low000000
hordatine a
0
aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite		00low000000
chondramide a
0
chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
quinolobactin
0
aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid		bacterial metabolite;
siderophore		00low000000
novobiocin
0
carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent		00low000000
ilicicolin h
0
aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone		antimicrobial agent;
mitochondrial respiratory-chain inhibitor		00low000000
naloxegol
0
aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol		cathartic;
mu-opioid receptor antagonist		00low000000
fertaric acid
0
aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative		00low000000
callipeltin a
0
cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite		00low000000
opt 80
0
carboxylic ester;
glycoside;
macrolide antibiotic;
organochlorine compound;
phenols		antibacterial drug;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor		00low000000
brasilicardin a
0
benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent		00low000000
ML355
0
benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor		00low000000
acarbose
0
chondramide;
indoles;
organochlorine compound;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
pf-06687252
0
azabicycloalkane;
enone;
phenols;
pyridines		00low000000
chondramide d
0
chondramide;
indoles;
phenols		antineoplastic agent;
bacterial metabolite		00low000000
biliatresone
0
aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols		plant metabolite;
toxin		00low000000
can 508
0
aromatic amine;
monoazo compound;
phenols;
pyrazoles		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
nu 1025
0
phenols;
quinazolines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor00low000000
quininib
0
phenols;
styrylquinoline		angiogenesis inhibitor00low000000
pp242
0
aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor		00low000000
dehydroluciferin
0
1,3-thiazolemonocarboxylic acid;
benzothiazoles;
biaryl;
phenols		animal metabolite;
luciferin		00low000000
sotorasib
0
acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent00low000000
tilimycin
0
phenols;
pyrrolobenzodiazepine		alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin		00low000000
quinacrine
0
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		00low000000
4-(2,4-dichlorophenoxy)butyric acid
0
aromatic ether;
monocarboxylic acid;
organochlorine compound		agrochemical;
phenoxy herbicide;
synthetic auxin		00low000000
win 52035
0
aromatic ether00low000000
win 52084
0
aromatic ether00low000000
5-(nonyloxy)tryptamine
0
aromatic ether;
primary amino compound;
tryptamines		serotonergic agonist00low000000
methylbufotenin
0
aromatic ether;
tertiary amino compound;
tryptamine alkaloid		hallucinogen;
plant metabolite		00low000000
5-methoxytryptamine
0
aromatic ether;
primary amino compound;
tryptamines		5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist		00low000000
ro 48-8071
0
aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor		00low000000
rtki cpd
0
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		00low000000
amsacrine
0
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
aristolochic acid i
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
0
aromatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol		allelochemical;
plant metabolite		00low000000
bufetolol
0
aromatic ether00low000000
bufexamac
0
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
bunitrolol
0
aromatic ether00low000000
bupranolol
0
aromatic ether00low000000
cgp 12177
0
aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist00low000000
ciglitazone
0
aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug		00low000000
cirazoline
0
aromatic ether00low000000
clofibrate
0
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		00low000000
clofibric acid
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist		00low000000
colchicine, (+-)-isomer
0
acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound		microtubule-destabilising agent;
plant metabolite		00low000000
croconazole
0
aromatic ether;
conazole antifungal drug;
imidazole antifungal drug;
monochlorobenzenes		00low000000
racemethorphan
0
aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound		00low000000
dibucaine
0
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic00low000000
dilacor xr
0
acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound		00low000000
domiphen
0
aromatic ether00low000000
donepezil
0
aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent		00low000000
epirizole
0
aromatic ether00low000000
ethacrynic acid
0
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic		00low000000
ethoxyquin
0
aromatic ether;
quinolines		antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator		00low000000
ethoxzolamide
0
aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		00low000000
2-hexyloxybenzamide
0
aromatic ether;
benzamides		antifungal agent00low000000
fenofibrate
0
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		00low000000
fenvalerate
0
aromatic ether;
carboxylic ester;
monochlorobenzenes		pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
flecainide
0
aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug00low000000
fluoxetine
0
(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound		00low000000
gallamine triethiodide
0
aromatic ether00low000000
gemfibrozil
0
aromatic etherantilipemic drug00low000000
haloprogin
0
aromatic ether00low000000
indomethacin
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		00low000000
ipriflavone
0
aromatic ether;
isoflavones		bone density conservation agent00low000000
mephenesin
0
aromatic ether;
glycerol ether		00low000000
methocarbamol
0
aromatic ether;
carbamate ester;
secondary alcohol		00low000000
methoctramine
0
aromatic ether;
tetramine		muscarinic antagonist00low000000
methoxsalen
0
aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite		00low000000
metoprolol
0
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic		00low000000
mexiletine
0
aromatic ether;
primary amino compound		anti-arrhythmia drug00low000000
midodrine
0
amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent		00low000000
clorgyline
0
aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor		00low000000
nefazodone
0
aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor		00low000000
nimesulide
0
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
nisoxetine
0
aromatic ether;
secondary amino compound		adrenergic uptake inhibitor;
antidepressant		00low000000
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
0
aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor		00low000000
omeprazole
0
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		00low000000
oxprenolol
0
aromatic ether00low000000
pantoprazole
0
aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
pd 153035
0
aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
pentamidine
0
aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic		00low000000
phenacetin
0
acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug		00low000000
pioglitazone
0
aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic		00low000000
piretanide
0
aromatic ether00low000000
pramoxine
0
aromatic ether;
morpholines		local anaesthetic00low000000
prazosin
0
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		00low000000
primaquine
0
aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial00low000000
proglumetacin
0
aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		00low000000
propoxur
0
aromatic ether;
carbamate ester		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		00low000000
pyrilamine
0
aromatic ether;
ethylenediamine derivative		H1-receptor antagonist00low000000
sulfadimethoxine
0
aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic		00low000000
tetrahydropapaverine
0
aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound		00low000000
tilorone
0
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist		00low000000
ultram
0
aromatic ether;
tertiary alcohol;
tertiary amino compound		00low000000
viloxazine
0
aromatic ether00low000000
wb 4101
0
aromatic ether;
benzodioxine;
secondary amino compound		alpha-adrenergic antagonist00low000000
3,3',5-triiodothyropropionic acid
0
aromatic ether00low000000
methacetin
0
acetamides;
aromatic ether		00low000000
mestranol
0
17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen		00low000000
visnagin
0
aromatic ether;
furanochromone;
polyketide		anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent		00low000000
mecoprop
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		00low000000
phenetidine
0
aromatic ether;
substituted aniline		00low000000
2-methyl-4-chlorophenoxy gamma-butyric acid
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
xenobiotic		00low000000
4-bromophenyl phenyl ether
0
aromatic ether;
organobromine compound		00low000000
di-(4-aminophenyl)ether
0
aromatic ether00low000000
phenyl ether
0
aromatic etherplant metabolite00low000000
diglycidyl resorcinol ether
0
aromatic ether00low000000
phenetole
0
aromatic ether00low000000
scoparone
0
aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite		00low000000
dimethoxyphenylethylamine
0
alkaloid;
aromatic ether;
phenylethylamine		allergen;
plant metabolite		00low000000
dichlorprop
0
aromatic ether;
dichlorobenzene;
monocarboxylic acid		00low000000
benzethonium chloride
0
aromatic ether;
chloride salt;
quaternary ammonium salt		antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant		00low000000
peucedanin
0
aromatic ether;
furanocoumarin;
lactone		plant metabolite00low000000
phenetidine
0
aromatic ether;
primary amino compound;
substituted aniline		drug metabolite00low000000
6-methoxybenzoxazolinone
0
aromatic ether;
benzoxazole		antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite		00low000000
3-anisidine
0
aromatic ether;
substituted aniline		00low000000
domiphen bromide
0
aromatic ether00low000000
dibrompropamidine
0
aromatic ether00low000000
benzydamine
0
aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug		00low000000
xylocholine
0
aromatic ether00low000000
3-methoxycatechol
0
aromatic ether;
catechols		G-protein-coupled receptor agonist00low000000
2-phenoxypropanoic acid
0
aromatic ether;
carboxylic acid		00low000000
6-methoxyquinoline
0
aromatic ether;
quinolines		00low000000
metaxalone
0
aromatic ether00low000000
heliamine
0
aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines		plant metabolite00low000000
2,4,6-trichlorophenyl 4-nitrophenyl ether
0
aromatic ether;
C-nitro compound;
chlorobenzenes		EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
etridiazol
0
aromatic ether;
organochlorine compound;
thiadiazole antifungal agent;
thiadiazoles		antifungal agrochemical;
nitrification inhibitor		00low000000
toliprolol
0
aromatic ether00low000000
5-methoxyindoleacetic acid
0
aromatic ether;
indole-3-acetic acids		antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite		00low000000
iproclozide
0
aromatic ether00low000000
phenoxyacetic acid
0
aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant		00low000000
nafenopin
0
aromatic ether;
monocarboxylic acid		00low000000
5-methoxyindole-2-carboxylic acid
0
aromatic ether;
indolecarboxylic acid		EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite		00low000000
dehydroemetine
0
aromatic ether;
isoquinolines;
pyridoisoquinoline		antileishmanial agent;
antimalarial;
antiprotozoal drug		00low000000
1,2-epoxy-3-(p-nitrophenoxy)propane
0
aromatic ether;
C-nitro compound;
epoxide		00low000000
metocurine iodide
0
aromatic ether00low000000
ac 45594
0
aromatic ether00low000000
3-phenoxybenzylalcohol
0
aromatic ether;
benzyl alcohols		marine xenobiotic metabolite00low000000
devrinol
0
aromatic ether;
monocarboxylic acid amide;
naphthalenes		00low000000
fluorodifen
0
aromatic ether00low000000
acridine half-mustard
0
aminoacridines;
aromatic ether;
organochlorine compound;
secondary amino compound		mutagen00low000000
precocene i
0
aromatic ether;
chromenes		plant metabolite;
precocenes		00low000000
oxadiazon
0
aromatic ether00low000000
lofexidine
0
aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles		alpha-adrenergic agonist;
antihypertensive agent		00low000000
alclofenac
0
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
phenylglycidyl ether
0
aromatic ether00low000000
phenoxyethanol
0
aromatic ether;
glycol ether;
primary alcohol		antiinfective agent;
central nervous system depressant		00low000000
metipranolol
0
acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		00low000000
silybin
0
aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite		00low000000
oxamethacin
0
aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
canadine
0
aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle		00low000000
7-ethoxycoumarin
0
aromatic ether;
coumarins		00low000000
medifoxamine
0
aromatic ether00low000000
chlormethoxynil
0
aromatic ether00low000000
climbazole
0
aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes		00low000000
4-hexyloxyaniline
0
aromatic ether;
substituted aniline		00low000000
ticrynafen
0
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic		00low000000
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid
0
aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid		00low000000
bezafibrate
0
aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		00low000000
oxyfluorofen
0
aromatic etherEC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
triadimefon
0
aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles		00low000000
levobunolol
0
aromatic ether;
cyclic ketone;
propanolamine		antiglaucoma drug;
beta-adrenergic antagonist		00low000000
dichlorfop-methyl
0
aromatic ether;
dichlorobenzene;
diether;
methyl ester		00low000000
triadimenol
0
aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite		00low000000
triclopyr
0
aromatic ether;
chloropyridine;
monocarboxylic acid		agrochemical;
environmental contaminant;
herbicide;
xenobiotic		00low000000
prenalterol
0
aromatic ether00low000000
st 1059
0
aromatic ether;
primary amino compound;
secondary alcohol		alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent		00low000000
paroxetine
0
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor		00low000000
acifluorfen
0
aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
bopindolol
0
aromatic ether;
benzoate ester;
methylindole;
secondary amino compound		00low000000
fenpropathrin, (+-)-isomer
0
aromatic ether;
cyclopropanecarboxylate ester		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide		00low000000
triflumuron
0
aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound		00low000000
flutolanil
0
(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
benzanilide fungicide		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor		00low000000
fenoxaprop ethyl
0
aromatic ether00low000000
triclabendazole
0
aromatic ether00low000000
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid
0
aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		environmental contaminant;
herbicide;
xenobiotic		00low000000
haloxyfop
0
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		00low000000
fluazifop-butyl
0
aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines		00low000000
fenoxycarb
0
aromatic ether;
carbamate ester		environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic		00low000000
quizalofop-ethyl
0
aromatic ether;
ethyl ester;
organochlorine compound;
quinoxaline derivative		00low000000
cetamolol
0
aromatic ether00low000000
atomoxetine
0
aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic		00low000000
methyl bensulfuron
0
aromatic ether;
methyl ester;
N-sulfonylurea;
pyrimidines		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide		00low000000
itraconazole
0
aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles		EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor		00low000000
loxtidine
0
aromatic ether;
piperidines;
primary alcohol;
triazoles		H2-receptor antagonist00low000000
disoxaril
0
aromatic ether00low000000
chlorimuron ethyl
0
aromatic ether;
ethyl ester;
N-sulfonylurea;
organochlorine pesticide;
pyrimidines;
sulfamoylbenzoate		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide		00low000000
tepoxalin
0
aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles		antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
esmolol
0
aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound		00low000000
pioglitazone hydrochloride
0
aromatic ether00low000000
aripiprazole
0
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist		00low000000
sulfametrole
0
aromatic ether;
substituted aniline;
sulfonamide antibiotic;
thiadiazoles		00low000000
propamidine
0
aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug		00low000000
hexamidine
0
aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug		00low000000
o-4-methylthymine
0
aromatic ether;
methylthymine		human metabolite00low000000
fenclofenac
0
aromatic ether00low000000
tetraiodothyroacetic acid
0
2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone		00low000000
fluazuron
0
aromatic ether;
chloropyridine;
monochlorobenzenes;
N-acylurea;
organochlorine acaricide;
organofluorine acaricide;
phenylureas		acaricide;
mite growth regulator		00low000000
etiroxate
0
aromatic ether00low000000
etofamide
0
aromatic ether00low000000
esreboxetine
0
aromatic ether00low000000
spiramide
0
aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
serotonergic antagonist		00low000000
5'-nitro-2'-propoxyacetanilide
0
aromatic ether;
C-nitro compound		00low000000
suberosin
0
aromatic ether;
coumarins		anticoagulant;
plant metabolite		00low000000
toltrazuril
0
aromatic ether00low000000
plafibride
0
aromatic ether00low000000
cinitapride
0
aromatic ether;
C-nitro compound		00low000000
isoscopoletin
0
aromatic ether;
hydroxycoumarin		plant metabolite00low000000
ethofenprox
0
aromatic etherpyrethroid ether insecticide00low000000
uk 68798
0
aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker		00low000000
hp 873
0
1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist		00low000000
fenoxypropazine
0
aromatic ether00low000000
fluphenacur
0
aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound		00low000000
amezinium
0
aromatic ether;
primary arylamine;
pyridazinium ion		adrenergic uptake inhibitor;
antihypotensive agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
sympathomimetic agent		00low000000
triasulfuron
0
1,3,5-triazines;
aromatic ether;
N-sulfonylurea;
organochlorine compound		agrochemical;
herbicide		00low000000
uvaretin
0
aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite		00low000000
fangchinoline
0
aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite		00low000000
prochloraz
0
amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
stictic acid
0
aromatic ether00low000000
pramoxine hydrochloride
0
aromatic ether00low000000
4-methoxybenzylamine
0
aralkylamino compound;
aromatic ether;
primary amino compound		00low000000
xanthurenic acid 8-methyl ether
0
aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite		00low000000
difenoconazole
0
aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
a 8947
0
aromatic ether;
biaryl;
N-sulfonylurea;
pyrazole pesticide;
tetrazoles		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide		00low000000
thifluzamide
0
1,3-thiazoles;
anilide fungicide;
aromatic amide;
aromatic ether;
dibromobenzene;
organofluorine compound		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor		00low000000
ethylhydrocupreine
0
aromatic ether;
cinchona alkaloid		EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor00low000000
7,8-dihydromethysticin
0
2-pyranones;
aromatic ether		00low000000
4,5-dimethoxy-2-nitrobenzaldehyde
0
aromatic ether;
C-nitro compound		00low000000
bisphenol f diglycidyl ether
0
aromatic ether;
diarylmethane;
epoxide		00low000000
oryzemate
0
1,2-benzisothiazole;
aromatic ether;
benzothiazole fungicide;
sulfone		antifungal agrochemical;
plant activator		00low000000
bitertanol
0
aromatic ether;
biphenyls;
secondary alcohol;
triazoles		00low000000
fluazifop
0
aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines		00low000000
diflufenican
0
(trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide		carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic		00low000000
hexafluoron
0
aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organochlorine insecticide;
organofluorine insecticide		00low000000
diethofencarb
0
aromatic ether;
carbamate ester;
carbanilate fungicide		antifungal agrochemical00low000000
pyriproxyfen
0
aromatic ether;
pyridines		juvenile hormone mimic00low000000
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate
0
aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide		00low000000
dpx e9636
0
aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone		environmental contaminant;
herbicide;
xenobiotic		00low000000
aclonifen
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
primary amino compound;
substituted aniline		agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
cinosulfuron
0
aromatic ether00low000000
clodinafop-propargyl
0
aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines		agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide		00low000000
triflusulfuron-methyl
0
1,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide		00low000000
vestitol
0
aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		anti-inflammatory agent;
phytoalexin;
plant metabolite		00low000000
cryptopleurine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor		00low000000
6-hydroxymethylmexiletine
0
aromatic ether00low000000
cloquintocet-mexyl
0
aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines		00low000000
novaluron
0
aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound		00low000000
bursehernin
0
aromatic ether;
benzodioxoles;
butan-4-olide;
lignan		plant metabolite00low000000
2,2',4,4'-tetrabromodiphenyl ether
0
aromatic ether;
organobromine compound		00low000000
allocryptopine
0
aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		00low000000
sporidesmin
0
aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator		00low000000
syringaresinol
0
aromatic ether;
furofuran;
lignan;
polyether;
polyphenol		plant metabolite00low000000
p-methoxy-n-methylphenethylamine
0
aromatic ether;
secondary amino compound		metabolite00low000000
aflatoxin q1
0
aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human xenobiotic metabolite		00low000000
u 73122
0
aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor00low000000
fumitremorgin a
0
aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		mycotoxin00low000000
deguelin
0
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite		00low000000
aristolochic acid ii
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
tephrosin
0
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide		00low000000
alpha-hydroxymetoprolol
0
aromatic ether00low000000
5-(tetradecyloxy)-2-furancarboxylic acid
0
aromatic ether;
furoic acid		antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist		00low000000
tafenoquine
0
(trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound		00low000000
5-hydroxymethylomeprazole
0
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		drug metabolite00low000000
mosapride
0
aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound		00low000000
ym 12617
0
aromatic ether;
secondary amino compound;
sulfonamide		00low000000
gefitinib
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
cgp 28392
0
aromatic ether00low000000
sodium-binding benzofuran isophthalate
0
1-benzofurans;
aromatic ether;
crown compound;
tetracarboxylic acid		fluorochrome00low000000
garenoxacin
0
aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
non-steroidal anti-inflammatory drug		00low000000
reboxetine
0
aromatic ether00low000000
b 823-08
0
aromatic ether00low000000
cyclazosin
0
aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative		adenosine A2A receptor antagonist00low000000
ivabradine
0
aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound		cardiotonic drug00low000000
marsupsin
0
1-benzofurans;
aromatic ether;
polyphenol		antilipemic drug;
hypoglycemic agent;
metabolite		00low000000
6,6'-bieckol
0
aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger		00low000000
xibenolol
0
aromatic ether00low000000
cicloprolol
0
aromatic ether00low000000
chs 828
0
aromatic ether00low000000
2-(4-methoxyphenoxy)propanoic acid
0
aromatic ether;
carboxylic acid		00low000000
moxifloxacin
0
aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug00low000000
rp 73401
0
aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide		anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor		00low000000
2,2',4,4',5,5'-hexabrominated diphenyl ether
0
aromatic ether;
organobromine compound		00low000000
varespladib
0
aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor		00low000000
birb 796
0
aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator		00low000000
schizandrin b
0
aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin		anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite		00low000000
s 23121
0
aromatic ether;
dicarboximide;
monochlorobenzenes;
monofluorobenzenes;
pyrroline;
terminal acetylenic compound		00low000000
acrovestone
0
acetophenones;
aromatic ether;
olefinic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite		00low000000
corytuberine
0
aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound		plant metabolite00low000000
7,8-dihydro-5,6-dehydrokawain
0
2-pyranones;
aromatic ether		00low000000
4-amino-2-methoxypyrimidine
0
aminopyrimidine;
aromatic ether;
methylcytosine		metabolite00low000000
aristolochic acid D
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin		00low000000
aristolochic acid c
0
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		00low000000
erlotinib
0
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		00low000000
ly 293111
0
aromatic ether00low000000
enrasentan
0
aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol		antihypertensive agent;
endothelin receptor antagonist		00low000000
quizalofop
0
aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative		00low000000
cyhalofop-butyl
0
aromatic ether00low000000
cyperin
0
aromatic ether00low000000
aflatoxin b1
0
aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite		00low000000
etravirine
0
aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor		00low000000
5-o-methyllicoricidin
0
aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite		00low000000
pronuciferine
0
aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound		plant metabolite00low000000
dronedarone
0
1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic		00low000000
famoxadone
0
aromatic ether;
carbohydrazide;
oxazolidinone		00low000000
cimicoxib
0
aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
sorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor		00low000000
dabuzalgron
0
aromatic ether;
imidazoles;
monochlorobenzenes;
sulfonamide		alpha-adrenergic agonist00low000000
lasofoxifene
0
aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins		antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist		00low000000
(+-)-Dihydromethysticin
0
2-pyranones;
aromatic ether		00low000000
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline
0
aromatic ether;
substituted aniline		00low000000
chondocurine (1beta)-(+-)-isomer
0
aromatic ether00low000000
1-methyl-4-prop-2-enoxy-2-pyrimidinone
0
aromatic ether;
pyrimidone		00low000000
noscapine
0
aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite		00low000000
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile
0
aromatic ether;
C-nitro compound		00low000000
tryptoquivaline
0
aromatic ether;
indole alkaloid;
organic heteropentacyclic compound		breast cancer resistance protein inhibitor;
mycotoxin		00low000000
win 54954
0
aromatic ether00low000000
silychristin
0
1-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger		00low000000
bispyribac
0
aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines		herbicide00low000000
petunidin-3-glucoside
0
anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite		00low000000
malvidin-3-glucoside
0
anthocyanin cation;
aromatic ether;
beta-D-glucoside		metabolite00low000000
dioncophylline c
0
aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols		antimalarial;
antiplasmodial drug;
metabolite		00low000000
roflumilast
0
aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound		anti-asthmatic drug;
phosphodiesterase IV inhibitor		00low000000
prinomastat
0
aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor		00low000000
posaconazole
0
aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug00low000000
gancaonin I
0
1-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
plant metabolite		00low000000
glycyrin
0
aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite		00low000000
glyasperin D
0
aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		plant metabolite00low000000
licoricidin
0
aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite		00low000000
egonol
0
1-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol		plant metabolite00low000000
N-ethylharmine
0
aromatic ether;
beta-carbolines;
semisynthetic derivative		anti-HIV agent00low000000
pf 1163a
0
aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol		antifungal agent;
Penicillium metabolite		00low000000
pf 1163b
0
aromatic ether;
lactam;
macrolide antibiotic		antifungal agent;
Penicillium metabolite		00low000000
licocoumarone
0
1-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite		00low000000
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide
0
aromatic ether00low000000
LSM-22807
0
aromatic ether00low000000
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
0
aromatic ether00low000000
5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
0
aromatic ether00low000000
antofine
0
alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite		00low000000
xanthohumol
0
aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite		00low000000
2-phenoxy-N-(2-pyridinyl)butanamide
0
aromatic ether00low000000
6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
0
aromatic ether;
pyranopyrazole		00low000000
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide
0
aromatic ether00low000000
2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
0
aromatic ether00low000000
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide
0
aromatic ether00low000000
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
0
aromatic ether00low000000
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine
0
aromatic ether00low000000
1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole
0
aromatic ether00low000000
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
0
aromatic ether00low000000
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
0
aromatic ether;
pyranopyrazole		00low000000
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone
0
aromatic ether00low000000
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol
0
aromatic ether00low000000
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine
0
aromatic ether00low000000
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
0
aromatic ether00low000000
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
0
aromatic ether;
triazolothiadiazole		00low000000
4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile
0
aromatic ether00low000000
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
0
aromatic ether00low000000
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
0
aromatic ether00low000000
4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile
0
aromatic ether00low000000
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester
0
aromatic ether00low000000
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
0
aromatic ether00low000000
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
0
aromatic ether00low000000
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
0
aromatic ether00low000000
7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione
0
aromatic ether00low000000
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester
0
aromatic ether00low000000
2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide
0
aromatic ether00low000000
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine
0
aromatic ether00low000000
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol
0
aromatic ether;
C-nitro compound		00low000000
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester
0
aromatic ether00low000000
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole
0
aromatic ether00low000000
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione
0
aromatic ether00low000000
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
0
aromatic ether00low000000
4-(4-phenylmethoxyphenyl)thiadiazole
0
aromatic ether00low000000
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide
0
aromatic ether;
C-nitro compound		00low000000
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone
0
aromatic ether00low000000
4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile
0
aromatic ether00low000000
N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide
0
aromatic ether00low000000
1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea
0
aromatic ether00low000000
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea
0
aromatic ether00low000000
1-cyclopentyl-3-(4-phenoxyphenyl)thiourea
0
aromatic ether00low000000
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide
0
aromatic ether00low000000
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide
0
aromatic ether00low000000
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide
0
aromatic ether00low000000
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
0
aromatic ether00low000000
N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide
0
aromatic ether00low000000
5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole
0
aromatic ether00low000000
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole
0
aromatic ether00low000000
curcumin
0
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		00low000000
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea
0
aromatic ether;
C-nitro compound		00low000000
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea
0
aromatic ether00low000000
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide
0
aromatic ether;
C-nitro compound		00low000000
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine
0
aromatic ether00low000000
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea
0
aromatic ether;
C-nitro compound		00low000000
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
0
aromatic ether00low000000
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone
0
aromatic ether00low000000
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide
0
aromatic ether00low000000
1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea
0
aromatic ether00low000000
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide
0
aromatic ether00low000000
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide
0
aromatic ether00low000000
4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
0
aromatic ether00low000000
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
0
aromatic ether00low000000
1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone
0
aromatic ether00low000000
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide
0
aromatic ether00low000000
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide
0
aromatic ether00low000000
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
0
aromatic ether00low000000
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide
0
aromatic ether00low000000
4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine
0
aromatic ether00low000000
4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester
0
aromatic ether00low000000
Src Inhibitor-1
0
aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor00low000000
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide
0
aromatic ether00low000000
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile
0
aromatic ether00low000000
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one
0
aromatic ether00low000000
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone
0
aromatic ether00low000000
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
0
aromatic ether00low000000
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
0
aromatic ether00low000000
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea
0
aromatic ether00low000000
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
0
aromatic ether00low000000
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline
0
aromatic ether00low000000
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile
0
aromatic ether00low000000
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole
0
aromatic ether00low000000
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole
0
aromatic ether00low000000
1-butyl-3-(4-phenoxyphenyl)thiourea
0
aromatic ether00low000000
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
0
aromatic ether00low000000
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
0
aromatic ether00low000000
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
0
aromatic ether00low000000
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone
0
aromatic ether00low000000
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
0
aromatic ether00low000000
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine
0
aromatic ether00low000000
5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
0
aromatic ether00low000000
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine
0
aromatic ether00low000000
2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide
0
aromatic ether00low000000
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde
0
aromatic ether00low000000
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester
0
aromatic ether;
C-nitro compound		00low000000
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
0
aromatic ether00low000000
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine
0
aromatic ether00low000000
N-butyl-4-phenoxy-1-butanamine
0
aromatic ether00low000000
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester
0
aromatic ether00low000000
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
0
aromatic ether;
C-nitro compound		00low000000
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine
0
aromatic ether00low000000
2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester
0
aromatic ether00low000000
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester
0
aromatic ether00low000000
1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine
0
aromatic ether00low000000
N4-(2-methoxyphenyl)benzene-1,4-diamine
0
aromatic ether;
substituted aniline		00low000000
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
0
aromatic ether00low000000
2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
0
aromatic ether00low000000
1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
0
aromatic ether00low000000
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide
0
aromatic ether00low000000
4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine
0
aromatic ether00low000000
5-(3-fluorophenoxy)-8-nitroisoquinoline
0
aromatic ether00low000000
1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine
0
aromatic ether00low000000
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide
0
aromatic ether00low000000
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate
0
aromatic ether00low000000
N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide
0
aromatic ether00low000000
1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone
0
aromatic ether00low000000
5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one
0
aromatic ether00low000000
2-(4-aminophenoxy)isophthalonitrile
0
aromatic ether00low000000
N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
0
aromatic ether00low000000
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide
0
aromatic ether00low000000
N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea
0
aromatic ether00low000000
6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester
0
aromatic ether00low000000
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide
0
aromatic ether;
C-nitro compound		00low000000
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
0
aromatic ether;
C-nitro compound		00low000000
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide
0
aromatic ether;
C-nitro compound		00low000000
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol
0
aromatic ether00low000000
1-[4-(3-ethoxyphenoxy)butyl]imidazole
0
aromatic ether00low000000
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide
0
aromatic ether00low000000
1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea
0
aromatic ether00low000000
N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide
0
aromatic ether00low000000
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
0
aromatic ether;
C-nitro compound		00low000000
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide
0
aromatic ether00low000000
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea
0
aromatic ether;
C-nitro compound		00low000000
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
0
aromatic ether00low000000
cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
0
aromatic ether00low000000
toremifene
0
aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		00low000000
dieckol
0
aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger		00low000000
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine
0
aromatic ether00low000000
naproxol
0
aromatic etherantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
tamoxifen n-oxide
0
aromatic ether;
tertiary amine oxide		anti-estrogen;
metabolite		00low000000
diafenthiuron
0
aromatic ether;
thiourea acaricide;
thiourea insecticide		oxidative phosphorylation inhibitor;
proinsecticide		00low000000
ospemifene
0
aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator		00low000000
tandutinib
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
zd 6474
0
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
adefovir
0
aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol		antimalarial;
Aspergillus metabolite;
marine metabolite		00low000000
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide
0
aromatic ether;
C-nitro compound		00low000000
N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
0
aromatic ether00low000000
N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide
0
aromatic ether00low000000
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide
0
aromatic ether00low000000
6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
0
aromatic ether;
pyranopyrazole		00low000000
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea
0
aromatic ether00low000000
quinoxyfen
0
aromatic ether;
monofluorobenzenes;
organochlorine compound;
quinolines		antifungal agrochemical00low000000
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea
0
aromatic ether;
C-nitro compound		00low000000
2-methyl-1,3-bis(phenylmethoxy)benzene
0
aromatic ether00low000000
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea
0
aromatic ether00low000000
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione
0
aromatic ether00low000000
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
0
aromatic ether00low000000
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
0
aromatic ether00low000000
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
0
aromatic ether00low000000
1-[4-(2-chlorophenoxy)butyl]imidazole
0
aromatic ether;
imidazoles;
monochlorobenzenes		00low000000
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide
0
aromatic ether;
C-nitro compound		00low000000
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
0
aromatic ether;
C-nitro compound		00low000000
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide
0
aromatic ether00low000000
hydroxypioglitazone
0
aromatic ether;
pyridines;
thiazolidinediones		human xenobiotic metabolite00low000000
sc 560
0
aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug		00low000000
sc-19220
0
aromatic ether00low000000
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester
0
aromatic ether00low000000
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione
0
aromatic ether00low000000
2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester
0
aromatic ether00low000000
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide
0
aromatic ether00low000000
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
0
aromatic ether;
substituted aniline		00low000000
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
0
aromatic ether00low000000
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol
0
aromatic ether00low000000
3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene
0
aromatic ether00low000000
fraxin
0
aromatic ether;
beta-D-glucoside;
hydroxycoumarin		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite		00low000000
fraxetin
0
aromatic ether;
hydroxycoumarin		anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent		00low000000
5,6-dehydrokawain
0
2-pyranones;
aromatic ether		00low000000
jtk-303
0
aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		HIV-1 integrase inhibitor00low000000
coniferin
0
aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative		plant metabolite00low000000
daphnoretin
0
aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite		00low000000
kavain
0
2-pyranones;
aromatic ether		00low000000
methysticin
0
2-pyranones;
aromatic ether		00low000000
yangonin
0
2-pyranones;
aromatic ether		00low000000
hinokiflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent		00low000000
gentiacaulein
0
aromatic ether;
polyphenol;
xanthones		plant metabolite00low000000
gentisin
0
aromatic ether;
polyphenol;
xanthones		plant metabolite00low000000
isogentisin
0
aromatic ether;
polyphenol;
xanthones		EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite		00low000000
1,8-dihydroxy-3,7-dimethoxyxanthone
0
aromatic ether;
polyphenol;
xanthones		plant metabolite00low000000
1,2,8-trihydroxy-6-methoxyxanthone
0
aromatic ether;
polyphenol;
xanthones		antioxidant;
plant metabolite		00low000000
wedelolactone
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite		00low000000
sofalcone
0
aromatic ether;
chalcones;
monocarboxylic acid		anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite		00low000000
neticonazole
0
aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor		00low000000
pibutidine
0
aromatic ether;
cyclobutenones;
olefinic compound;
piperidines;
primary amino compound;
pyridines;
secondary amino compound		anti-ulcer drug;
H2-receptor antagonist		00low000000
purmorphamine
0
aromatic ether;
morpholines;
purines;
secondary amino compound		osteogenesis regulator;
SMO receptor agonist		00low000000
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
0
aromatic ether00low000000
ro 41-5253
0
aromatic ether;
benzoic acids;
sulfone;
thiochromane		apoptosis inducer;
retinoic acid receptor alpha antagonist		00low000000
glycycoumarin
0
aromatic ether;
coumarins;
resorcinols		antispasmodic drug;
plant metabolite		00low000000
isoginkgetin
0
aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite		00low000000
neoglycyrol
0
aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite		00low000000
bw b70c
0
aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor00low000000
alternariol monomethyl ether
0
aromatic ether;
benzochromenone		antifungal agent;
fungal metabolite;
mycotoxin		00low000000
bedaquiline
0
aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor		00low000000
benanomicin b
0
aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol		00low000000
pradimicin b
0
aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol		00low000000
pradimicin a
0
aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol		00low000000
clodinafop
0
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide		00low000000
ici 118551
0
aromatic ether;
indanes;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist00low000000
ochnaflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite		00low000000
3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide
0
aromatic ether00low000000
4-hydroxycordoin
0
aromatic ether;
chalcones;
polyphenol		anti-inflammatory agent;
antibacterial agent;
plant metabolite		00low000000
kresoxim-methyl
0
aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic		00low000000
5-methoxy-3,6-diphenyl-1,2,4-triazine
0
aromatic ether00low000000
pyrachlostrobin
0
aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic		00low000000
piericidin a
0
aromatic ether;
methylpyridines;
monohydroxypyridine;
secondary allylic alcohol		antimicrobial agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor;
mitochondrial respiratory-chain inhibitor		00low000000
metrafenone
0
aromatic ether;
aryl phenyl ketone fungicide;
benzophenones;
organobromine compound		antifungal agrochemical00low000000
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide
0
(trifluoromethyl)benzenes;
aromatic ether;
monocarboxylic acid amide;
monofluorobenzenes		00low000000
b 43
0
aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		00low000000
5-(4-phenylbutoxy)psoralen
0
aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker		00low000000
5-ia-85380
0
aromatic ether00low000000
yunaconitine
0
acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic		00low000000
ru 58668
0
17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist		00low000000
altenusin
0
aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol		antifungal agent;
fungal metabolite		00low000000
gw 501516
0
1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist		00low000000
bay 58-2667
0
aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
lenvatinib
0
aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist		00low000000
nsc 716970
0
aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent00low000000
lobeglitazone
0
aromatic ether00low000000
noviflumuron
0
aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
organofluorine compound		00low000000
etomoxir
0
aromatic ether00low000000
9-methoxycanthin-6-one
0
aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite		00low000000
sb 3ct compound
0
aromatic ether00low000000
varespladib methyl
0
aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug		00low000000
dapagliflozin
0
aromatic ether;
C-glycosyl compound;
monochlorobenzenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor		00low000000
naveglitazar
0
aromatic ether00low000000
tivozanib
0
aromatic ether00low000000
zm 447439
0
aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor		00low000000
tryprostatin a
0
aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine		breast cancer resistance protein inhibitor00low000000
cediranib
0
aromatic ether00low000000
3-iodothyronamine
0
aromatic ether00low000000
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride
0
aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound		antipsychotic agent;
receptor modulator		00low000000
rubraxanthone
0
aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite		00low000000
7,8-Dihydroyangonin
0
2-pyranones;
aromatic ether		00low000000
sch 51344
0
aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound		antineoplastic agent00low000000
ancistroealaine a
0
aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes		antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug		00low000000
pimavanserin
0
aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas		5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist		00low000000
tolfenpyrad
0
aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide		agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor		00low000000
apixaban
0
aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		00low000000
dihydrokavain
0
2-pyranones;
aromatic ether		00low000000
troglitazone sulfate
0
aromatic ether;
thiazolidinone		00low000000
arisugacin
0
aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite		00low000000
saracatinib
0
aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent		00low000000
fonsecinone a
0
aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol		antibacterial agent;
Aspergillus metabolite		00low000000
crenolanib
0
aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
aiphanol
0
aromatic ether;
benzodioxine;
lignan;
stilbenoid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor00low000000
msdc-0160
0
aromatic ether00low000000
dihydroxanthohumol
0
aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite		00low000000
PB28
0
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		00low000000
7-phloroeckol
0
aromatic ether;
phlorotannin		antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite		00low000000
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
0
aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite		00low000000
PDGF receptor tyrosine kinase inhibitor III
0
aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor00low000000
fluoxastrobin
0
aromatic ether;
dioxazine;
monochlorobenzenes;
organofluorine compound;
oxime O-ether;
pyrimidines;
strobilurin antifungal agent		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
regorafenib
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		00low000000
erastin
0
aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor		00low000000
brivanib
0
aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		00low000000
fg-4592
0
aromatic ether;
isoquinolines;
N-acylglycine		EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor		00low000000
picoxystrobin
0
aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
cenicriviroc
0
aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide		anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist		00low000000
mandipropamid
0
aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound		00low000000
ki 8751
0
aromatic ether00low000000
ceratamine a
0
alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite		00low000000
azd 8931
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
bay94 9172
0
(18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline		radioactive imaging agent00low000000
dorsomorphin
0
aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor		00low000000
cj-042794
0
aromatic ether00low000000
hu 308
0
aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid		anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist		00low000000
ki11502
0
aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
apremilast
0
aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone		non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor		00low000000
PF-00835231
0
aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor		00low000000
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
0
aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
chir-265
0
aromatic ether00low000000
aminocandin
0
aromatic ether;
echinocandin;
homodetic cyclic peptide		antiinfective agent00low000000
zk 756326
0
aromatic ether00low000000
bay 60-6583
0
aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide		adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent		00low000000
empagliflozin
0
aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor		00low000000
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
0
aromatic ether00low000000
bgt226
0
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
n-desmethylrosiglitazone
0
aromatic ether00low000000
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
0
aromatic ether00low000000
verruculogen
0
aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		00low000000
2,2',4,5'-tetrabromodiphenyl ether
0
aromatic ether;
organobromine compound		00low000000
hexabromodiphenyl ether 154
0
aromatic ether;
organobromine compound		00low000000
bde 183
0
aromatic ether;
organobromine compound		00low000000
l-798106
0
aromatic ether;
bromobenzenes;
N-sulfonylcarboxamide		prostaglandin receptor antagonist00low000000
aflatoxin m1
0
aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite		00low000000
macitentan
0
aromatic ether;
organobromine compound;
pyrimidines;
ring assembly;
sulfamides		antihypertensive agent;
endothelin receptor antagonist;
orphan drug		00low000000
CDN1163
0
aromatic ether;
quinolines;
secondary carboxamide		SERCA activator00low000000
e 7050
0
aromatic ether00low000000
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide
0
aromatic ether00low000000
dafadine C
0
aromatic amide;
aromatic ether;
difluorobenzene;
isoxazoles;
N-acylpiperidine;
pyridines		P450 inhibitor00low000000
dafadine B
0
aromatic amide;
aromatic ether;
isoxazoles;
monochlorobenzenes;
monofluorobenzenes;
N-acylpiperidine;
pyridines		P450 inhibitor00low000000
3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide
0
aromatic ether00low000000
violaceol II
0
aromatic ether;
catechols;
resorcinols		mycotoxin00low000000
pamapimod
0
aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound		antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
gsk690693
0
1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
cnf 2024
0
2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor		00low000000
uk 453,061
0
aromatic ether00low000000
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one
0
aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound		00low000000
zm323881
0
aromatic ether;
benzyl ether;
fluorophenol;
halophenol;
monofluorobenzenes;
organic cation;
quinazolines;
secondary amino compound;
substituted aniline		vascular endothelial growth factor receptor antagonist00low000000
compound w
0
aromatic ether00low000000
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
interiotherin b
0
aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle		anti-HIV agent;
metabolite		00low000000
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one
0
aromatic ether;
homoisoflavonoid;
polyphenol		angiogenesis modulating agent;
plant metabolite		00low000000
ph 797804
0
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
aromatic ether00low000000
mk 5108
0
aromatic ether00low000000
lde225
0
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		00low000000
1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone
0
aromatic ether00low000000
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine
0
aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines		geroprotector;
P450 inhibitor		00low000000
dafadine D
0
aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
organofluorine compound;
pyridines		P450 inhibitor00low000000
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide
0
aromatic ether00low000000
dafadine O
0
aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines;
ring assembly		P450 inhibitor00low000000
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide
0
aromatic ether00low000000
pci 32765
0
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		00low000000
florbetapir f 18
0
(18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline		radioactive imaging agent00low000000
AMG-208
0
aromatic ether;
quinolines;
triazolopyridazine		antineoplastic agent;
c-Met tyrosine kinase inhibitor		00low000000
6-methoxyspirotryprostatin b
0
aromatic ether;
azaspiro compound;
indole alkaloid;
indolones		antineoplastic agent;
Aspergillus metabolite		00low000000
lucitanib
0
aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines		antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist		00low000000
act-132577
0
aromatic ether;
organobromine compound;
pyrimidines;
sulfamides		antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite		00low000000
cabozantinib
0
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		00low000000
poziotinib
0
acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist		00low000000
gsk 2126458
0
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent		00low000000
gsk 1363089
0
aromatic ether00low000000
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
0
aromatic ether00low000000
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
0
aromatic ether00low000000
3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
0
aromatic ether00low000000
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
0
aromatic ether00low000000
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
0
aromatic ether00low000000
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
0
aromatic ether00low000000
grazoprevir
0
aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative		antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent		00low000000
kavain
0
2-pyranones;
aromatic ether		00low000000
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone
0
aromatic ether00low000000
lrrk2-in1
0
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
AZD1979
0
aromatic ether;
azaspiro compound;
carboxamide;
N-acylazetidine;
oxadiazole;
oxaspiro compound;
oxetanes		melanin-concentrating hormone receptor antagonist00low000000
ML240
0
aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent00low000000
aripiprazole lauroxil
0
aromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist		00low000000
abt-199
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		00low000000
xl765
0
aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		00low000000
DMH1
0
aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor		00low000000
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide
0
aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes		00low000000
pf 4800567
0
aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor00low000000
propenylphosphonic acid
0
aromatic ether00low000000
abt-333
0
aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide		antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor		00low000000
ceritinib
0
aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
MK-8353
0
aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
HG-10-102-01
0
aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor00low000000
N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide
0
aromatic ether00low000000
saroglitazar
0
aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles		hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist		00low000000
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
DDR1-IN-1
0
(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
N-alkylpiperazine;
oxindoles;
secondary carboxamide		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor00low000000
ldc4297
0
aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
MLI-2
0
aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor00low000000
ap20187
0
aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound		ligand00low000000
methysticin
0
2-pyranones;
aromatic ether		00low000000
tak 491
0
1,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane		angiotensin receptor antagonist;
antihypertensive agent;
prodrug		00low000000
azilsartan
0
1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent		00low000000
hydrazinocurcumin
0
aromatic ether;
olefinic compound;
polyphenol;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
mirodenafil
0
aromatic ether;
N-alkylpiperazine;
primary alcohol;
pyrrolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		00low000000
cerulomycin
0
aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid		antineoplastic agent;
bacterial metabolite;
marine metabolite		00low000000
undecylprodigiosin
0
alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent		00low000000
sb-590885
0
aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound		00low000000
2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
0
aromatic ether00low000000
PF-07304814
0
aromatic ether;
indolecarboxamide;
L-leucine derivative;
phosphate monoester;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
prodrug		00low000000
riluzole
0
benzothiazoles00low000000
tiaramide
0
benzothiazoles00low000000
ticlatone
0
benzothiazoles00low000000
benzothiazole
0
benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic		00low000000
dibenzothiazyl disulfide
0
benzothiazoles;
organic disulfide		allergen00low000000
2-aminobenzothiazole
0
benzothiazoles00low000000
diamthazole
0
benzothiazoles00low000000
dithiazanine
0
benzothiazoles;
benzothiazolium ion		anthelminthic drug;
fluorochrome		00low000000
2-(methylthio)benzothiazole
0
benzothiazoles;
methyl sulfide		aryl hydrocarbon receptor agonist;
xenobiotic metabolite		00low000000
methabenzthiazuron
0
benzothiazoles00low000000
sabeluzole
0
benzothiazoles00low000000
lubeluzole
0
benzothiazoles00low000000
2-benzothiazolesulfonamide
0
benzothiazoles;
sulfonamide		00low000000
tioxidazole
0
benzothiazoles00low000000
2-(4-Morpholinyl)benzothiazole
0
benzothiazoles00low000000
mefenacet
0
benzothiazoles;
tertiary carboxamide		antimitotic;
herbicide		00low000000
firefly luciferin
0
1,3-thiazolemonocarboxylic acid;
benzothiazoles;
imidothioate		luciferin00low000000
pramipexole
0
benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger		00low000000
N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
0
benzothiazoles00low000000
2-pyridin-4-yl-1,3-benzothiazole
0
benzothiazoles00low000000
6-methoxy-3-methyl-1,3-benzothiazol-2-imine
0
benzothiazoles00low000000
6-Fluoro-1,3-benzothiazol-2-amine
0
benzothiazoles00low000000
N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester
0
benzothiazoles00low000000
e 3040
0
benzothiazoles;
organic hydroxy compound;
pyridines;
secondary amino compound		anti-inflammatory drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
uricosuric drug		00low000000
E3040 glucuronide
0
benzothiazoles;
beta-D-glucosiduronic acid;
pyridines;
secondary amino compound		xenobiotic metabolite00low000000
3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide
0
benzothiazoles00low000000
6-ethoxy-2-[(4-fluorophenyl)methylthio]-1,3-benzothiazole
0
benzothiazoles00low000000
6-propan-2-yl-1,3-benzothiazol-2-amine
0
benzothiazoles00low000000
3-(2-phenoxyethyl)-1,3-benzothiazol-2-one
0
benzothiazoles00low000000
3-[3-(2-methoxyphenoxy)propyl]-1,3-benzothiazol-2-one
0
benzothiazoles00low000000
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
0
benzothiazoles00low000000
N-(1,3-benzothiazol-2-yl)-N-methylbenzamide
0
benzothiazoles00low000000
2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
0
benzothiazoles00low000000
2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile
0
benzothiazoles00low000000
5-[(4-chloro-1-pyrazolyl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-furancarboxamide
0
benzothiazoles00low000000
N-(2-furanylmethyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
0
benzothiazoles00low000000
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide
0
benzothiazoles00low000000
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
0
benzothiazoles00low000000
2-(4,5-dihydrothiazol-2-ylthio)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
0
benzothiazoles00low000000
2-(beta-D-glucosyl)benzothiazole
0
benzothiazoles;
C-glycosyl compound		00low000000
1-[(1,3-benzothiazol-2-ylthio)methyl]-2-azepanone
0
benzothiazoles00low000000
2-[[3-[4-(dimethylamino)phenyl]-4,5-dihydroisoxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
5-[(1,3-benzothiazol-2-ylthio)methyl]-2-furancarboxylic acid methyl ester
0
benzothiazoles00low000000
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine
0
benzothiazoles00low000000
captax
0
aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite		00low000000
1,3-benzothiazol-2-yl(thiomorpholin-4-yl)methanone
0
benzothiazoles00low000000
N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-thiophenecarboxamide
0
benzothiazoles00low000000
2-(1,3-benzothiazol-2-ylmethoxy)phenol
0
benzothiazoles00low000000
N-[2-(1-cyclohexenyl)ethyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
0
benzothiazoles00low000000
N-(4-methyl-2-thiazolyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
0
benzothiazoles00low000000
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
0
benzothiazoles00low000000
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide
0
benzothiazoles00low000000
N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
0
benzothiazoles00low000000
N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
0
benzothiazoles00low000000
N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide
0
benzothiazoles00low000000
2-[(2-chlorophenyl)methylthio]-6-nitro-1,3-benzothiazole
0
benzothiazoles00low000000
N-(1,3-benzothiazol-2-yl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
0
benzothiazoles00low000000
N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine
0
benzothiazoles00low000000
2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester
0
benzothiazoles00low000000
N-(2-methyl-1,3-benzothiazol-6-yl)-2-furancarboxamide
0
benzothiazoles00low000000
2-(2,4,5-trimethoxyphenyl)-1,3-benzothiazole
0
benzothiazoles00low000000
3-[2-(3-methylphenoxy)ethyl]-1,3-benzothiazol-2-one
0
benzothiazoles00low000000
3-[2-(4-methylphenoxy)ethyl]-1,3-benzothiazol-2-one
0
benzothiazoles00low000000
3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
0
benzothiazoles00low000000
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dimethyl-2-oxo-5-benzimidazolesulfonamide
0
benzothiazoles00low000000
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamide
0
benzothiazoles00low000000
2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzothiazole
0
benzothiazoles00low000000
N-(6-chloro-1,3-benzothiazol-2-yl)-2-diphenylphosphorylacetamide
0
benzothiazoles00low000000
3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
0
benzothiazoles00low000000
6-fluoro-2-phenyl-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-phenylthiourea
0
benzothiazoles00low000000
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-4-triazolecarboxylic acid methyl ester
0
benzothiazoles00low000000
[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
0
benzothiazoles00low000000
[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
0
benzothiazoles00low000000
(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine
0
benzothiazoles00low000000
3,4,5-trimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
0
benzothiazoles00low000000
4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester
0
benzothiazoles00low000000
N-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide
0
benzothiazoles00low000000
3-(1,3-benzothiazol-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
0
benzothiazoles00low000000
1-(1,3-benzothiazol-2-yl)-3-propylurea
0
benzothiazoles00low000000
5-bromo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-2-furancarboxamide
0
benzothiazoles00low000000
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
0
benzothiazoles00low000000
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
0
benzothiazoles00low000000
5-bromo-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
0
benzothiazoles00low000000
N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-furancarboxamide
0
benzothiazoles00low000000
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
0
benzothiazoles00low000000
5-bromo-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
0
benzothiazoles00low000000
2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolamine
0
benzothiazoles00low000000
2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxo)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
0
benzothiazoles00low000000
N-(2-phenylethyl)-1,3-benzothiazol-2-amine
0
benzothiazoles00low000000
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide
0
benzothiazoles00low000000
4-[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]-1-piperazinecarboxaldehyde
0
benzothiazoles00low000000
1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester
0
benzothiazoles00low000000
1,3-benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester
0
benzothiazoles00low000000
1,3-benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] ester
0
benzothiazoles00low000000
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)-4-piperidinecarboxamide
0
benzothiazoles00low000000
N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
0
benzothiazoles00low000000
2-(2-chloro-3-pyridinyl)-1,3-benzothiazole
0
benzothiazoles00low000000
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide
0
benzothiazoles00low000000
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamide
0
benzothiazoles00low000000
1,3-benzothiazole-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
0
benzothiazoles00low000000
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-pyrazinecarboxamide
0
benzothiazoles00low000000
2-(6-imidazo[2,1-b]thiazolyl)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester
0
benzothiazoles00low000000
N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamide
0
benzothiazoles00low000000
1-(2-furanylmethyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-oxo-3-pyrrolidinecarboxamide
0
benzothiazoles00low000000
1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
0
benzothiazoles00low000000
N-(1,3-benzothiazol-2-yl)-2-methoxy-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]benzamide
0
benzothiazoles00low000000
4-[[2-(4-methyl-1-piperidinyl)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
0
benzothiazoles00low000000
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester
0
benzothiazoles00low000000
4-(4,6-difluoro-1,3-benzothiazol-2-yl)morpholine
0
benzothiazoles00low000000
5-bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
0
benzothiazoles00low000000
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
0
benzothiazoles00low000000
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophenecarboxamide
0
benzothiazoles00low000000
2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
0
benzothiazoles00low000000
2-(1,3-benzothiazol-2-ylmethylthio)-1-butyl-5-benzimidazolesulfonamide
0
benzothiazoles00low000000
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide
0
benzothiazoles00low000000
3-methoxy-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
0
benzothiazoles00low000000
[4-(butan-2-ylamino)-6-chloro-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
0
benzothiazoles00low000000
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide
0
benzothiazoles00low000000
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)benzohydrazide
0
benzothiazoles00low000000
3-chloro-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide
0
benzothiazoles00low000000
N-(7-methyl-2-thiazolo[4,5-g][1,3]benzothiazolyl)propanamide
0
benzothiazoles00low000000
N-[3-(2-methylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
0
benzothiazoles00low000000
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-oxolanecarboxamide
0
benzothiazoles00low000000
N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
0
benzothiazoles00low000000
4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
0
benzothiazoles00low000000
2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide
0
benzothiazoles00low000000
N-(2-oxolanylmethyl)-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide
0
benzothiazoles00low000000
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
0
benzothiazoles00low000000
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-pyrrolyl)acetamide
0
benzothiazoles00low000000
dithiazanine iodide
0
benzothiazoles;
organic iodide salt		anthelminthic drug;
fluorochrome		00low000000
3,3'-diethylthiacarbocyanine iodide
0
benzothiazoles;
cyanine dye		fluorochrome00low000000
2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)-3-pyridazinone
0
benzothiazoles00low000000
5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester
0
benzothiazoles00low000000
6-bromo-2-(1-pyrrolidinyl)-1,3-benzothiazole
0
benzothiazoles00low000000
6-fluoro-N-phenyl-1,3-benzothiazol-2-amine
0
benzothiazoles00low000000
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
0
benzothiazoles00low000000
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
0
benzothiazoles00low000000
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)propanehydrazide
0
benzothiazoles00low000000
4-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
0
benzothiazoles00low000000
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
0
benzothiazoles00low000000
2-(3,5-dimethyl-1H-pyrrol-2-yl)-1,3-benzothiazole
0
benzothiazoles00low000000
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide
0
benzothiazoles00low000000
r 115866
0
aromatic amine;
benzothiazoles;
secondary amino compound;
triazoles		00low000000
as 601245
0
benzothiazoles00low000000
2-(4-methoxyphenyl)-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
2-(4-chlorophenyl)-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
tozadenant
0
benzothiazoles00low000000
3-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
0
benzothiazoles00low000000
2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole
0
benzothiazoles00low000000
2-(3-chlorophenyl)-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
vizamyl
0
(18)F radiopharmaceutical;
aromatic amine;
benzothiazoles;
secondary amino compound		radioactive imaging agent00low000000
picogreen
0
benzothiazoles;
cyanine dye;
quinolines;
tertiary amine		fluorescent dye00low000000
3,3'-diethylthiacarbocyanine iodide
0
benzothiazoles;
cyanine dye		fluorochrome00low000000
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide
0
benzothiazoles00low000000
5-fluoro-2-phenyl-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
2-(2-fluorophenyl)-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
2-(4-fluorophenyl)-1,2-benzothiazol-3-one
0
benzothiazoles00low000000
INDY
0
benzothiazoles;
enone;
organic hydroxy compound		antineoplastic agent;
drug metabolite;
EC 2.7.12.1 (dual-specificity kinase) inhibitor		00low000000
2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamide
0
benzothiazoles00low000000
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide
0
benzothiazoles00low000000
nizatidine
0
1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist		00low000000
sulconazole
0
dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide		00low000000
temefos
0
organic sulfide;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
ectoparasiticide		00low000000
allyl sulfide
0
organic sulfide00low000000
carbophenothion
0
organic sulfide00low000000
metribuzin
0
1,2,4-triazines;
cyclic ketone;
organic sulfide		agrochemical;
environmental contaminant;
herbicide;
xenobiotic		00low000000
albendazole sulfone
0
organic sulfide00low000000
allyl methyl sulfide
0
organic sulfide00low000000
ljc 10627
0
carbapenems;
organic sulfide;
pyrazolotriazole		antibacterial drug00low000000
3-methylthiopropylamine
0
organic sulfide;
primary amino compound		00low000000
albendazole-2-aminosulfone
0
organic sulfide00low000000
s-(4-nitrobenzyl)glutathione
0
C-nitro compound;
organic sulfide;
S-substituted glutathione		00low000000
lanthionine
0
alanine derivative;
non-proteinogenic alpha-amino acid;
organic sulfide		bacterial metabolite00low000000
s-benzyl-n-acetyl-l-cysteine
0
organic sulfide;
S-substituted N-acetyl-L-cysteine		human urinary metabolite;
rat metabolite		00low000000
ecteinascidin 743
0
acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite		00low000000
s-propylcysteine
0
cysteine derivative;
organic sulfide		00low000000
s-adenosyl-3-thiopropylamine
0
organic sulfide;
primary amino compound;
thioadenosine		00low000000
s-adenosylhomocysteine
0
adenosines;
amino acid zwitterion;
homocysteine derivative;
homocysteines;
organic sulfide		cofactor;
EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor;
EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor;
epitope;
fundamental metabolite		00low000000
meropenem
0
alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen		00low000000
tiamulin
0
carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid		antibacterial drug00low000000
2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine
0
1,3,5-triazines;
organic sulfide		00low000000
yoda 1
0
aromatic compound;
dichlorobenzene;
organic sulfide;
pyrazines;
thiadiazoles		glycine transporter 2 inhibitor;
piezo1 agonist		00low000000
ranitidine
0
C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic		00low000000
bms 387032
0
1,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		00low000000
2-(dichloromethyl)-4-(4-methylphenyl)-6-(methylthio)-1,3,5-triazine
0
methylthio-1,3,5-triazine;
organic sulfide		00low000000
leukotriene d4
0
dipeptide;
leukotriene;
organic sulfide		bronchoconstrictor agent;
human metabolite;
mouse metabolite		00low000000
leukotriene f-4
0
dipeptide;
leukotriene;
organic sulfide		human metabolite00low000000
bay u9773
0
benzoic acids;
dicarboxylic acid;
organic sulfide;
polyunsaturated fatty acid;
secondary alcohol		leukotriene antagonist00low000000
batimastat
0
hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor		00low000000
cilastatin
0
carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic		00low000000
glucoerucin
0
organic sulfide;
thia-alkylglucosinolic acid		00low000000
ki16425
0
carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide		00low000000
fenamidone
0
carbohydrazide;
imidazole fungicide;
imidazolone;
organic sulfide		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor		00low000000
benzobicyclon
0
aromatic ketone;
carbobicyclic compound;
cyclic ketone;
monochlorobenzenes;
organic sulfide;
sulfone		00low000000
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine
0
1,3-thiazoles;
C-nitro compound;
organic sulfide;
primary amino compound;
thiadiazoles		antibacterial agent;
c-Jun N-terminal kinase inhibitor		00low000000
2-(methylthio)-4-phenyl-6-propan-2-yl-1,3,5-triazine
0
methylthio-1,3,5-triazine;
organic sulfide		00low000000
MMP-9-IN-1
0
aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor		00low000000
acrylamide
0
acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin		00low000000
methacrylamide
0
acrylamides;
primary carboxamide		00low000000
naphthaleneacetamide
0
naphthalenes;
primary carboxamide		synthetic auxin00low000000
caproamide
0
primary carboxamide;
primary fatty amide		00low000000
ribavirin
0
1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		00low000000
vindesine
0
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent00low000000
1,2,4-triazole-3-carboxamide
0
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
triazoles		drug metabolite;
human urinary metabolite		00low000000
n-acetyltryptophanamide
0
acetamides;
L-tryptophan derivative;
primary carboxamide;
secondary carboxamide		00low000000
ribavirin 5'-diphosphate
0
1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose monophosphate		antiviral agent;
drug metabolite;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
human blood serum metabolite		00low000000
ribavirin 5'-triphosphate
0
1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose triphosphate		antiviral agent;
drug metabolite;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
eukaryotic initiation factor 4F inhibitor;
human blood serum metabolite		00low000000
ribavirin 5'-diphosphate
0
1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose diphosphate		antiviral agent;
drug metabolite		00low000000
2-cyano-2-cyclohexylideneacetamide
0
primary carboxamide00low000000
favipiravir
0
hydroxypyrazine;
organofluorine compound;
primary carboxamide		anticoronaviral agent;
antiviral drug;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor		00low000000
cefsulodin
0
cephalosporin;
organosulfonic acid;
primary carboxamide		antibacterial drug00low000000
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide
0
primary carboxamide;
pyrazines;
secondary carboxamide		00low000000
CHIC-35
0
aromatic compound;
organic heterotricyclic compound;
organochlorine compound;
primary carboxamide		EC 3.5.1.98 (histone deacetylase) inhibitor00low000000
furylfuramide
0
acrylamides;
C-nitro compound;
nitrofuran antibiotic;
primary carboxamide		00low000000
niraparib
0
benzenes;
indazoles;
piperidines;
primary carboxamide		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		00low000000
gilteritinib
0
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
pelabresib
0
monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
rtki cpd
0
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		00low000000
cl 387785
0
bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
pd 153035
0
aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
pd168393
0
acrylamides;
bromobenzenes;
quinazolines;
secondary carboxamide;
substituted aniline		epidermal growth factor receptor antagonist00low000000
gefitinib
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
erlotinib
0
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		00low000000
aee 788
0
6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug		00low000000
zm 252868
0
hydrochlorideEC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
azd 8931
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
pf 00299804
0
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
poziotinib
0
acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist		00low000000
osimertinib
0
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
rtki cpd
0
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		00low000000
pd 153035
0
aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
gefitinib
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
erlotinib
0
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		00low000000
azd 8931
0
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		00low000000
pf 00299804
0
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
poziotinib
0
acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
tyrphostin 25
1
benzenetriol1993199331.0low001000
ag 538
1
2003200321.0low000100
ag 99
1
2003200321.0low000100
tyrphostin ag 555
1
2003200321.0low000100
tyrphostin ag-494
1
2003200321.0low000100
ag 556
1
2003200321.0low000100
ag-490
1
catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor		2003200321.0low000100
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
chlorine
1
halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite		201520159.0low000010
pd 173074
1
aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist		2008200816.0low000100
pyrithione
1
monohydroxypyridine;
pyridinethione		ionophore201520159.0low000010
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
1
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		2010201014.0low000100
pd 98059
2
aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2009201014.5low000200
pinacidil
1
pyridines2007200717.0low000100
zinc chloride
1
inorganic chloride;
zinc molecular entity		astringent;
disinfectant;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
Lewis acid		201520159.0low000010
decalin
1
ortho-fused bicyclic hydrocarbonsolvent2014201410.0low000010
allylamine
1
alkylamine2001200123.0low000100
quinazolines
11
azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines		2001201516.5medium000830
deoxycytidine
1
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2009200915.0low000100
amiloride
1
aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker		2010201014.0low000100
manganese
1
elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient		201820186.0low000010
paclitaxel
1
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2001200123.0low000100
gemcitabine
1
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic		2009200915.0low000100
gefitinib
1
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		2009200915.0low000100
lapatinib
3
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		2009201512.3low000120
metribolone
1
17beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid		androgen2011201113.0low000010
o-iodoxybenzoic acid
1
benziodoxoleEC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
oxidising agent		2006200618.0low000100
leupeptins
1
201520159.0low000010
acetylleucyl-leucyl-norleucinal
1
aldehyde;
tripeptide		cysteine protease inhibitor201520159.0low000010
tretinoin
1
retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule		2003200321.0low000100
afimoxifene
1
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		2008200816.0low000100
tamoxifen
1
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		2008200816.0low000100
u 0126
1
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		2010201014.0low000100
rtki cpd
8
2001201516.6medium000620
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2005200519.0low000100
rg 14620
1
2003200321.0medium000100
geldanamycin
1
2001200123.0low000100
zm 252868
1
hydrochlorideEC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		2003200321.0low000100
epidermal growth factor
5
2001201315.6low000320
charybdotoxin
1
2006200618.0low000100
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone
1
201520159.0low000010
transforming growth factor alpha
3
1999201020.7low001200
as 1411
1
201820186.0low000010
ag-879
1
2003200321.0low000100
trypan blue
1
2011201113.0low000010
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Acoustic Neuroma0
1
2011201113.0low000010
Acute Confusional Senile Dementia0
1
201820186.0low000010
Adenocarcinoma0
1
2003200321.0low000100
Adenocarcinoma, Basal Cell0
1
2003200321.0low000100
Alloxan Diabetes0
1
2005200519.0low000100
Alzheimer Disease0
1
201820186.0low000010
Angiogenesis, Pathologic0
1
2001200123.0low000100
Astrocytoma, Grade IV0
1
2005200519.0low000100
Bacterial Pneumonia0
1
201920195.0low000010
Benign Neoplasms, Brain0
1
2005200519.0low000100
Bile Duct Cancer0
1
2010201014.0low000100
Bile Duct Neoplasms0
1
2010201014.0low000100
Bladder Cancer0
1
2007200717.0low000100
Blast Crisis0
1
2012201212.0low000010
Blast Phase0
1
2012201212.0low000010
Blood Pressure, High0
1
2013201311.0low000010
Body Weight0
1
2005200519.0low000100
Brain Neoplasms0
1
2005200519.0low000100
Breast Cancer0
4
2001202211.5low000211
Breast Neoplasms0
4
2001202211.5low000211
Cancer of Lung0
3
1996200125.3low002100
Cancer of Ovary0
2
2003201316.0low000110
Cancer of Prostate0
3
2001201117.0low000210
Cancer of Skin0
1
2006200618.0low000100
Carcinoma0
1
2001200123.0low000100
Carcinoma, Anaplastic0
1
2001200123.0low000100
Carcinoma, Non-Small Cell Lung0
2
1996200125.5low001100
Carcinoma, Non-Small-Cell Lung0
2
1996200125.5low001100
Cell Transformation, Neoplastic0
1
2007200717.0low000100
Cholangiocarcinoma0
1
2010201014.0low000100
Cholangiocellular Carcinoma0
1
2010201014.0low000100
Congenital Zika Syndrome0
1
202020204.0low000010
Dermatitis, Radiation-Induced0
1
2006200618.0low000100
Disease Models, Animal0
3
201820205.0low000030
Encephalitis, Polio0
1
2011201113.0low000010
Experimental Mammary Neoplasms0
1
2009200915.0low000100
Glioblastoma0
1
2005200519.0low000100
Hormone-Dependent Neoplasms0
1
2001200123.0low000100
Hypertension0
1
2013201311.0low000010
Infections, Pseudomonas0
1
201920195.0low000010
Inflammation0
1
201920195.0low000010
Innate Inflammatory Response0
1
201920195.0low000010
Invasiveness, Neoplasm0
3
2009201313.3low000210
Leucocythaemia0
1
2012201212.0low000010
Leukemia0
1
2012201212.0low000010
Lung Neoplasms0
3
1996200125.3low002100
Manganese Poisoning0
1
201820186.0low000010
Metastase0
1
2009200915.0low000100
Neoplasm Metastasis0
1
2009200915.0low000100
Ovarian Neoplasms0
2
2003201316.0low000110
Pneumonia, Bacterial0
1
201920195.0low000010
Poliomyelitis0
1
2011201113.0low000010
Prostatic Neoplasms0
3
2001201117.0low000210
Pseudomonas Infections0
1
201920195.0low000010
Radiodermatitis0
1
2006200618.0low000100
Skin Neoplasms0
1
2006200618.0low000100
Urinary Bladder Neoplasms0
1
2007200717.0low000100
Zika Virus Infection0
1
202020204.0low000010

Safety/Toxicity (1)

ArticleYear
Enhancement of paclitaxel-mediated cytotoxicity in lung cancer cells by 17-allylamino geldanamycin: in vitro and in vivo analysis.
The Annals of thoracic surgery, , Volume: 72, Issue:2		2001

Long-term Use (1)

ArticleYear
The role of tyrosine kinase-mediated pathways in diabetes-induced alterations in responsiveness of rat carotid artery.
Autonomic & autacoid pharmacology, , Volume: 25, Issue:2		2005

Bioavailability (1)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019