Compounds > tetrahydropapaverine
Page last updated: 2024-09-20

tetrahydropapaverine

Description

tetrahydropapaverine: RN given refers to parent cpd [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline : A benzylisoquinoline alkaloid that is norlaudanosoline in which the four phenolic hydrogens have been replaced by methyl groups. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID5418
CHEMBL ID160919
CHEBI ID195380
SCHEMBL ID1076975
MeSH IDM0175006

Synonyms (39)

Synonym
13074-31-2
AC-7467
UNM000011058001
TIMTEC1_002724
OPREA1_802595
NCGC00163633-01
NCGC00163633-02
tetrahydropapaverine
HMS1541L18
AKOS003335113
rac-nor laudanosine
CHEMBL160919
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
STK664098
KUC103648N
1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
CHEBI:195380
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-tetrahydropapaverine
A828340
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;r-tetrahydropapaverine
einecs 235-968-5
1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
CCG-26031
isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-
NCGC00163633-03
SCHEMBL1076975
1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
smr001483237
MLS006011806
papaverine, 1,2,3,4-tetrahydro-
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline #
sr-01000639215
SR-01000639215-3
tetrahydropapaverin
(+/-)-n-norlaudanosine
DTXSID701018689
EN300-177753
1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy isoquinoline

Drug Classes (5)

ClassDescription
aromatic etherAny ether in which the oxygen is attached to at least one aryl substituent.
benzylisoquinoline alkaloidAny isoquinoline alkaloid based on a benzylisoquinoline skeleton.
benzyltetrahydroisoquinoline
polyetherAny ether that contains more than one ether linkage.
secondary amino compoundA compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (12)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
EWS/FLI fusion proteinHomo sapiens (human)Potency24.91780.001310.157742.8575AID1259252; AID1259253
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
microphthalmia-associated transcription factor isoform 9Homo sapiens (human)IC50 (µMol)1.46230.00481.37104.9290AID1259371; AID1259373; AID1259375
Beta-2 adrenergic receptorRattus norvegicus (Norway rat)Ki1.00000.00050.35461.6000AID41753
Alpha-1B adrenergic receptorRattus norvegicus (Norway rat)Ki10.00000.00010.949010.0000AID33138
Beta-1 adrenergic receptorRattus norvegicus (Norway rat)Ki1.00000.00000.667310.0000AID41753
Alpha-2B adrenergic receptorRattus norvegicus (Norway rat)Ki10.00000.00000.929610.0000AID33138
Alpha-2C adrenergic receptorRattus norvegicus (Norway rat)Ki10.00000.00000.970810.0000AID33138
Alpha-2A adrenergic receptorRattus norvegicus (Norway rat)Ki10.00000.00000.937510.0000AID33138
Alpha-1D adrenergic receptorRattus norvegicus (Norway rat)Ki10.00000.00000.575110.0000AID33138
Beta-3 adrenergic receptorRattus norvegicus (Norway rat)Ki1.00000.00050.33671.6000AID41753
Adenosine receptor A2aRattus norvegicus (Norway rat)Ki10.00000.00021.494010.0000AID33138
Alpha-1A adrenergic receptorRattus norvegicus (Norway rat)Ki10.00000.00000.965010.0000AID33138
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Molecular Functions (1)

Processvia Protein(s)Taxonomy
G protein-coupled adenosine receptor activityAdenosine receptor A2aRattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
Golgi membraneAdenosine receptor A2aRattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (35)

Assay IDTitleYearJournalArticle
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
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
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
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
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID697853Inhibition of horse BChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID697852Inhibition of electric eel AChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID33138Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes1980Journal of medicinal chemistry, Jun, Volume: 23, Issue:6
Mammalian alkaloids. 8. Synthesis and biological effects of tetrahydropapaveroline related 1-benzyltetrahydroisoquinolines.
AID41753Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes1980Journal of medicinal chemistry, Jun, Volume: 23, Issue:6
Mammalian alkaloids. 8. Synthesis and biological effects of tetrahydropapaveroline related 1-benzyltetrahydroisoquinolines.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (23)

TimeframeStudies, This Drug (%)All Drugs %
pre-19901 (4.35)18.7374
1990's6 (26.09)18.2507
2000's2 (8.70)29.6817
2010's7 (30.43)24.3611
2020's7 (30.43)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (4.17%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other23 (95.83%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
tetrahydropapaveroline[no description available]medium30benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol		human metabolite
(R)-norlaudanosoline[no description available]medium10norlaudanosoline
papaveroline[no description available]medium10isoquinolines
4-aminophenol[no description available]medium10aminophenolallergen;
metabolite
indoleacetic acid[no description available]medium10indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
melatonin[no description available]medium10acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
epibatidine[no description available]medium10alkaloid
aristolochic acid i[no description available]medium10aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
5-methoxypsoralen[no description available]medium105-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens		hepatoprotective agent;
plant metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone[no description available]medium101,4-benzoquinonescofactor
3,3'-diindolylmethane[no description available]medium10indolesantineoplastic agent;
P450 inhibitor
ellipticine[no description available]medium10indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
embelin[no description available]medium10dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
emodin[no description available]medium10trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
gossypol[no description available]medium10
hypericin[no description available]medium10
indole-3-carbinol[no description available]medium10indolyl alcoholantineoplastic agent;
plant metabolite
nsc 664704[no description available]medium10indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
kinetin[no description available]medium106-aminopurines;
furans		cytokinin;
geroprotector
beta-lapachone[no description available]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
lavendustin a[no description available]medium10aromatic amine
lavendustin b[no description available]medium10
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
methoxsalen[no description available]medium10aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
myristicin[no description available]medium10organic molecular entitymetabolite
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one[no description available]medium10isoquinolines
patulin[no description available]medium10furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite
phloretin[no description available]medium10dihydrochalconesantineoplastic agent;
plant metabolite
sanguinarine[no description available]medium10alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent
streptonigrin[no description available]medium10pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
theobromine[no description available]medium10dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
trioxsalen[no description available]medium10psoralensdermatologic drug;
photosensitizing agent
mitomycin[no description available]medium10mitomycinalkylating agent;
antineoplastic agent
reserpine[no description available]medium20alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
pilocarpine hydrochloride[no description available]medium10hydrochloride
cantharidin[no description available]medium10cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
physostigmine[no description available]medium10carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
veratramine[no description available]medium10piperidine alkaloid
phlorhizin[no description available]medium10aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite
papaverine hydrochloride[no description available]medium10
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
yohimbine hydrochloride[no description available]medium10
cycloheximide[no description available]medium10antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
gliotoxin[no description available]medium10dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole		antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor
tubercidin[no description available]medium10antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite
veratridine[no description available]medium10steroidsodium channel modulator
gibberellic acid[no description available]medium10C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite
visnagin[no description available]medium10aromatic ether;
furanochromone;
polyketide		anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent
rotenone[no description available]medium10organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
skimmianine[no description available]medium10alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
syrosingopine[no description available]medium10yohimban alkaloid
gramine[no description available]medium10aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
methylergonovine[no description available]medium10ergoline alkaloid
2,2'-methylenebis(4-methyl-6-tert-butylphenol)[no description available]medium10diarylmethane
indolebutyric acid[no description available]medium10indol-3-yl carboxylic acidauxin;
plant hormone;
plant metabolite
shikimic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
monocrotaline[no description available]medium10pyrrolizidine alkaloid
jervine[no description available]medium10piperidines
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
boldine[no description available]medium10aporphine alkaloid
indirubin[no description available]medium10
plumbagin[no description available]medium10hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
cepharanthine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
aloe emodin[no description available]medium10aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite
osthol[no description available]medium10botanical anti-fungal agent;
coumarins		metabolite
cytisine[no description available]medium10alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
bicuculline[no description available]medium10benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
kainic acid[no description available]medium10dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist
thymoquinone[no description available]medium101,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
oleanolic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
podophyllotoxin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
azomycin[no description available]medium10C-nitro compound;
imidazoles		antitubercular agent
Berberine chloride (TN)[no description available]medium10organic molecular entity
vincamine[no description available]medium10alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent
muscarine[no description available]medium10
ecdysone[no description available]medium1014alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid		prohormone
n-deacetyl-n-formylcolchicine[no description available]medium10cyclic ketone
camptothecin[no description available]medium10delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
tetradecanoylphorbol acetate[no description available]medium10acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
2-bromoergocryptine mesylate[no description available]medium10methanesulfonate saltantiparkinson drug
zingerone[no description available]medium10methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent
paclitaxel[no description available]medium10taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
phorbol 12,13-dibutyrate[no description available]medium10butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
quisqualic acid[no description available]medium10non-proteinogenic alpha-amino acid
colforsin[no description available]medium10acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
swainsonine[no description available]medium10indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite
castanospermine[no description available]medium10indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite
daunorubicin hydrochloride[no description available]medium10anthracycline
mevastatin[no description available]medium102-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite
ursolic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite
norharman[no description available]medium10beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
betulinic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
epigallocatechin gallate[no description available]medium10flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
baccatin iii[no description available]medium10acetate ester;
benzoate ester;
tetracyclic diterpenoid		plant metabolite
taleranol[no description available]medium10macrolide
narasin[no description available]medium10diterpene glycoside
quassin[no description available]medium10triterpenoid
tomatidine[no description available]medium103beta-hydroxy steroid;
azaspiro compound;
oxaspiro compound
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
rutecarpine[no description available]medium10beta-carbolines
bergenin[no description available]medium10trihydroxybenzoic acidmetabolite
pinocembrin[no description available]medium10(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent
isoscopoletin[no description available]medium10aromatic ether;
hydroxycoumarin		plant metabolite
vinburnine[no description available]medium10alkaloid
epicatechin[no description available]medium10catechin;
polyphenol		antioxidant
hesperetin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite
magnolol[no description available]medium10biphenyls
honokiol[no description available]medium10biphenyls
chelerythrine chloride[no description available]medium10
betulin[no description available]medium10diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
tetrahydroalstonine[no description available]medium10methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid		plant metabolite
hernandezine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
picropodophyllin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
tetrandrine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
dehydrocostus lactone[no description available]medium10gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug
madecassic acid[no description available]medium10monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite
panaxadiol[no description available]medium10triterpenoid saponin
tryptanthrine[no description available]medium10alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
homoeriodictyol[no description available]medium103'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		flavouring agent;
metabolite
4-hydroxyindole[no description available]medium10hydroxyindoles;
phenols
eriocitrin[no description available]medium103'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone		antioxidant
7,8-dihydromethysticin[no description available]medium102-pyranones;
aromatic ether
nicotine[no description available]medium103-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
cinchonine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
aucubin[no description available]medium10organic molecular entitymetabolite
lupinine[no description available]medium10quinolizidine alkaloid
matrine[no description available]medium10alkaloid
friedelin[no description available]medium10cyclic terpene ketone;
pentacyclic triterpenoid		anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite
catalpol[no description available]medium10organic molecular entitymetabolite
quinine hydrochloride[no description available]medium10
sarsasapogenin[no description available]medium10sapogenin
corynanthine[no description available]medium10yohimban alkaloid
prunin protein, prunus[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative		antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite
podocarpic acid[no description available]medium10abietane diterpenoid
harmol hydrochloride[no description available]medium10
5-Methoxyflavone[no description available]medium10ether;
flavonoids
10-hydroxycamptothecin[no description available]medium10pyranoindolizinoquinoline
corydaline[no description available]medium10isoquinoline alkaloid;
isoquinolines
demissidine[no description available]medium10alkaloid;
organic heteropolycyclic compound;
steroid
cinchonidine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
propidium iodide[no description available]medium10organic iodide salt
tryptoline[no description available]medium10beta-carbolines
deguelin[no description available]medium10aromatic 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
catechin[no description available]medium10hydrategeroprotector
daidzin[no description available]medium107-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite
cafestol[no description available]medium10diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite
parthenolide[no description available]medium10germacranolide
homoorientin[no description available]medium10flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger
asiatic acid[no description available]medium10monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite
angustmycin a[no description available]medium106-aminopurines
razadyne[no description available]medium10
phytosphingosine[no description available]medium10amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite
tetradecanoylphorbol acetate[no description available]medium10
celastrol[no description available]medium10monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
4'-demethylepipodophyllotoxin[no description available]medium10furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium10leucine derivative
e 64[no description available]medium10dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor
sinensetin[no description available]medium10pentamethoxyflavoneplant metabolite
harmalol hydrochloride[no description available]medium10
hyoscyamine[no description available]medium10tropane alkaloid
schizandrin a[no description available]medium10
schizandrin b[no description available]medium10aromatic 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
cryptotanshinone[no description available]medium10abietane diterpenoidanticoronaviral agent
isosakuranetin[no description available]medium10(2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite
isovitexin[no description available]medium10C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
sclareol[no description available]medium10labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite
tanshinone ii a[no description available]medium10abietane diterpenoid
leucodin[no description available]medium10sesquiterpene lactone
limonin[no description available]medium10epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component
maduramicin[no description available]medium10
chelidonine[no description available]medium10alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid
troleandomycin[no description available]medium10acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
santonin[no description available]medium10botanical anti-fungal agent;
santonin		plant metabolite
sitosterol, (3beta)-isomer[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
vincristine sulfate[no description available]medium10organic sulfate saltantineoplastic agent;
geroprotector
anisomycin[no description available]medium10monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
acetylstrophanthidin[no description available]medium10acetate esteranti-arrhythmia drug
Harringtonine[no description available]medium10alkaloid
acivicin[no description available]medium10isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite
ketopinic acid[no description available]medium10
wortmannin[no description available]medium10acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
gitoxigenin[no description available]medium1014beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid
graveoline[no description available]medium10quinolines
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en[no description available]medium10
naringenin[no description available]medium10(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite
ouabain[no description available]medium1011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
puromycin[no description available]medium10puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor
taxifolin[no description available]medium10taxifolinmetabolite
mimosine[no description available]medium104-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
eriodictyol[no description available]medium103'-hydroxyflavanones;
tetrahydroxyflavanone
arbutin[no description available]medium10beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
quinidine[no description available]medium10cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
conessine[no description available]medium10steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite
griseofulvin[no description available]medium101-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
hyperforin[no description available]medium10
deltaline[no description available]medium10acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound
ingenol[no description available]medium10cyclic terpene ketone;
tetracyclic diterpenoid
picrotin[no description available]medium10diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		plant metabolite
picrotoxinin[no description available]medium10epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		GABA antagonist;
plant metabolite;
serotonergic antagonist
naringin[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite
isonaringin[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite
ochratoxin a[no description available]medium10isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent
gingerol[no description available]medium10beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite
securinine[no description available]medium10indolizines
Dubinidine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
cyclopamine[no description available]medium10piperidinesglioma-associated oncogene inhibitor
doxorubicin hydrochloride[no description available]medium10anthracycline
vinpocetine[no description available]medium10alkaloidgeroprotector
dihydroergocristine monomesylate[no description available]medium10methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent
tretinoin[no description available]medium10retinoic 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
resveratrol[no description available]medium10resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
ferulic acid[no description available]medium10ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
thapsigargin[no description available]medium10butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
mycophenolic acid[no description available]medium102-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
alitretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
L-cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
12-deoxyphorbol 13-acetate[no description available]medium10phorbol estermetabolite
dactinomycin[no description available]medium10actinomycinmutagen
aphidicolin[no description available]medium10tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite
(+)-usnic acid[no description available]medium10usnic acid
beta, beta-dimethylacrylshikonin, (+)-isomer[no description available]medium10hydroxy-1,4-naphthoquinone
shikonin[no description available]medium10hydroxy-1,4-naphthoquinone
rhapontin[no description available]medium10rhaponticinangiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
hypoglycemic agent;
neuroprotective agent;
plant metabolite
piperine[no description available]medium10benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide		food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
rauwolscine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylate
amygdalin[no description available]medium10amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
hydrastine, (r-(r*,s*))-isomer[no description available]medium10isoquinolines
vasicine[no description available]medium10
3,3',4,5'-tetrahydroxystilbene[no description available]medium10catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
caffeic acid[no description available]medium10caffeic acidgeroprotector;
mouse metabolite
cotinine[no description available]medium10N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
heliotrine[no description available]medium10pyrrolizines
sclareolide[no description available]medium10naphthofuran
hypocrellin b[no description available]medium10
capsaicin[no description available]medium10capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
aurapten[no description available]medium10coumarins;
monoterpenoid		antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary
chlorogenic acid[no description available]medium10cinnamate ester;
tannin		food component;
plant metabolite
fumonisin b2[no description available]medium10diester;
diol;
fumonisin;
primary amino compound		Aspergillus metabolite;
carcinogenic agent
lincomycin[no description available]medium10carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
valinomycin[no description available]medium10cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
orlistat[no description available]medium10beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
12-deoxyphorbolphenylacetate-20-acetate[no description available]medium10
brassinin[no description available]medium10dithiocarbamic ester;
indole phytoalexin
chaetomellic acid a[no description available]medium10
hirsutine[no description available]medium10
3-deoxyvasicine, hydrochloride[no description available]medium10
emetine dihydrochloride[no description available]medium10hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor
salinomycin[no description available]medium10polyketide;
spiroketal		animal growth promotant;
potassium ionophore
silybin[no description available]medium10
5,6-dehydrokawain[no description available]medium102-pyranones;
aromatic ether
9,10-dihydrolysergol[no description available]medium10
geranylgeranic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
diterpenoid;
methyl-branched fatty acid;
trienoic fatty acid
quercetin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
dinoprostone[no description available]medium10prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
dinoprost[no description available]medium10monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
biochanin a[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
formononetin[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		phytoestrogen;
plant metabolite
prostaglandin b1[no description available]medium10prostaglandins Bhuman metabolite
sterigmatocystin[no description available]medium10sterigmatocystinsmetabolite
vitexin[no description available]medium10C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
acacetin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite
apigenin[no description available]medium10trihydroxyflavoneantineoplastic agent;
metabolite
luteolin[no description available]medium103'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
quercitrin[no description available]medium10alpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
scopoletin[no description available]medium10hydroxycoumarinplant growth regulator;
plant metabolite
hymecromone[no description available]medium10hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
alprostadil[no description available]medium10prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
quercetin 3-o-glucopyranoside[no description available]medium10beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
rutin[no description available]medium10disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
kaempferol[no description available]medium107-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
senecionine[no description available]medium10lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite
genistein[no description available]medium107-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
butein[no description available]medium10chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
sulfuretin[no description available]medium101-benzofurans
genistin[no description available]medium107-hydroxyisoflavones 7-O-beta-D-glucoside
chartreusin[no description available]medium10benzochromenone;
glycoside
methysticin[no description available]medium102-pyranones;
aromatic ether
yangonin[no description available]medium102-pyranones;
aromatic ether
zearalenone[no description available]medium10macrolide;
resorcinols		fungal metabolite;
mycoestrogen
baicalein[no description available]medium10trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
chrysin[no description available]medium107-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
datiscetin[no description available]medium107-hydroxyflavonol;
tetrahydroxyflavone
diosmetin[no description available]medium103'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent
diosmin[no description available]medium10dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
fisetin[no description available]medium203'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
galangin[no description available]medium107-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
3-methylquercetin[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
morin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent
myricetin[no description available]medium107-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
rhamnetin[no description available]medium10monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite
robinetin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		plant metabolite
tamarixetin[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite
wogonin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
coumestrol[no description available]medium10coumestans;
delta-lactone;
polyphenol		anti-inflammatory agent;
antioxidant;
plant metabolite
daidzein[no description available]medium107-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
caffeic acid phenethyl ester[no description available]medium10alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
rosmarinic acid[no description available]medium10rosmarinic acidgeroprotector;
plant metabolite
wedelolactone[no description available]medium10aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite
rottlerin[no description available]medium10aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
ellagic acid[no description available]medium10catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
7-hydroxyflavone[no description available]medium10hydroxyflavonoid
prostaglandin a1[no description available]medium10prostaglandins A
cerulenin[no description available]medium10epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor
rhoifolin[no description available]medium10dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite
vitexin rhamnoside[no description available]medium10C-glycosyl compound;
disaccharide derivative;
trihydroxyflavone		plant metabolite
domoic acid[no description available]medium10L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin
isotretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
cyclosporine[no description available]medium10homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
sirolimus[no description available]medium10antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
brefeldin a[no description available]medium10macrolide antibioticPenicillium metabolite
cytochalasin b[no description available]medium10cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
bisdemethoxycurcumin[no description available]medium10beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite
andrographolide[no description available]medium10carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
isorhamnetin 3-o-glucoside[no description available]medium10beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
6,7-dihydroxyflavone[no description available]medium10
flavokawain a[no description available]medium10chalcones
flavokawain b[no description available]medium10chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
kavain[no description available]medium10racemateglycine receptor antagonist
abscisic acid, (+,-)-isomer[no description available]medium10abscisic acidsabscisic acid receptor agonist
veratrine[no description available]medium10alkaloid
vinblastine sulfate[no description available]medium10
catharanthine[no description available]medium10alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
cytochalasin e[no description available]medium10cytochalasan alkaloidmetabolite
cytochalasin d[no description available]medium10
sinomenine[no description available]medium10morphinane alkaloid
ecdysterone[no description available]medium1014alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid		animal metabolite;
plant metabolite
bleomycin[no description available]medium10bleomycinantineoplastic agent;
metabolite
bakuchiol[no description available]medium10
zerumbone[no description available]medium10cyclic ketone;
sesquiterpenoid		anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite
solanesol[no description available]medium10nonaprenol;
primary alcohol		plant metabolite
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester[no description available]medium10yohimban alkaloid
n-caproylsphingosine[no description available]medium10N-acylsphingosine
monorden[no description available]medium10cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor
ginkgolide b[no description available]medium10
homatropine hydrobromide, (endo-(+-)-isomer)[no description available]medium10
hydrocotarnine hydrobromide[no description available]medium10
salsolinol hydrobromide[no description available]medium10
lasalocid sodium[no description available]medium10benzoates;
organic sodium salt		coccidiostat;
ionophore
sclerotiorin[no description available]medium10azaphilone
himbacine[no description available]medium10gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid		muscarinic antagonist
ebelactone b[no description available]medium10
3-o-methylbutein[no description available]medium10chalcones
thermozymocidin[no description available]medium10alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent
marein[no description available]medium10flavonoids;
glycoside
hydroxyachillin[no description available]medium10gamma-lactone
butylscopolammonium bromide[no description available]medium10
fumagillin[no description available]medium10antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide		angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor
artesunate[no description available]medium10artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
anisodamine[no description available]medium10
bufalin[no description available]medium1014beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug
alpha-solanine[no description available]medium10glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite
apigenin-7-o-rutinoside[no description available]medium10
gambogic acid[no description available]medium10pyranoxanthonesmetabolite
bn 52020[no description available]medium10
carmine[no description available]medium10C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone		animal metabolite;
histological dye
bavachinin[no description available]medium10flavanones
grayanotoxin iii[no description available]medium10
Dihydrotanshinone I[no description available]medium10abietane diterpenoidanticoronaviral agent
calcimycin[no description available]medium10benzoxazole
cinobufagin[no description available]medium10steroid lactone
atropine sulfate[no description available]medium10
cannogenin thevetoside[no description available]medium10cardenolide glycoside
eriodictyol 7-O-beta-D-glucopyranoside[no description available]medium10beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		plant metabolite;
radical scavenger
hypocrellin a[no description available]medium10
dihydrorobinetin[no description available]medium10
monensin[no description available]medium10
minocycline[no description available]medium10
dicumarol[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
citrinin[no description available]medium10
vulpinic acid[no description available]medium10butenolide
ajmaline[no description available]medium10
rifampin[no description available]medium10cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
alpha-cyclopiazonic acid[no description available]medium10alpha-cyclopiazonic acids
papaverine[no description available]medium40benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
oxazolidin-2-one[no description available]medium10carbamate ester;
oxazolidinone		metabolite
lmt-28[no description available]medium10
staurosporine[no description available]medium10ammonium ion derivative
3-hydroxyflavone[no description available]medium10flavonols;
monohydroxyflavone
reticuline[no description available]medium10reticulineEC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor
s-adenosylhomocysteine[no description available]medium10adenosines;
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
laudanosine[no description available]medium10isoquinolines
quinic acid[no description available]medium10
malondialdehyde[no description available]medium10dialdehydebiomarker
4,5-dicaffeoyl quinic acid[no description available]medium10
tryptophan[no description available]medium10erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
reticulin[no description available]medium10benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol		plant metabolite
salutaridine[no description available]medium10morphinane alkaloidanti-HBV agent;
metabolite
morphine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
thebaine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound
morphinans[no description available]medium10isoquinoline alkaloid fundamental parent;
morphinane alkaloid
dimethoxyphenylethylamine[no description available]medium20alkaloid;
aromatic ether;
phenylethylamine		allergen;
plant metabolite
1-methyl-4-phenylpyridinium[no description available]medium10pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
3,4-dihydroxyphenylacetic acid[no description available]medium10catechols;
dihydroxyphenylacetic acid		human metabolite
1,2,3,4-tetrahydroisoquinoline[no description available]medium20isoquinolines
malic acid[no description available]medium102-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental metabolite
pyruvic acid[no description available]medium102-oxo monocarboxylic acidcofactor;
fundamental metabolite
glutamic acid[no description available]medium10glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
salsolinol[no description available]medium101-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diolhuman urinary metabolite
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine[no description available]medium10methylpyridines;
phenylpyridine;
tetrahydropyridine		neurotoxin
enkephalin, leucine[no description available]medium10pentapeptide;
peptide zwitterion		analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite
scopolamine hydrobromide[no description available]medium10
chlorpromazine[no description available]medium10organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
quinacrine[no description available]low00acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
vanilmandelic acid[no description available]low002-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite
4-(2,4-dichlorophenoxy)butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound		agrochemical;
phenoxy herbicide;
synthetic auxin
win 52035[no description available]low00aromatic ether
win 52084[no description available]low00aromatic ether
5-(nonyloxy)tryptamine[no description available]low00aromatic ether;
primary amino compound;
tryptamines		serotonergic agonist
methylbufotenin[no description available]low00aromatic ether;
tertiary amino compound;
tryptamine alkaloid		hallucinogen;
plant metabolite
5-methoxytryptamine[no description available]low00aromatic 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
ro 48-8071[no description available]low00aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor
rtki cpd[no description available]low00aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
amsacrine[no description available]low00acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one[no description available]low00aromatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol		allelochemical;
plant metabolite
bufetolol[no description available]low00aromatic ether
bufexamac[no description available]low00aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bunitrolol[no description available]low00aromatic ether
bupranolol[no description available]low00aromatic ether
verapamil[no description available]low00aromatic ether;
nitrile;
polyether;
tertiary amino compound
cgp 12177[no description available]low00aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist
ciglitazone[no description available]low00aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug
cirazoline[no description available]low00aromatic ether
clofibrate[no description available]low00aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clofibric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
colchicine, (+-)-isomer[no description available]low00acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound		microtubule-destabilising agent;
plant metabolite
croconazole[no description available]low00aromatic ether;
conazole antifungal drug;
imidazole antifungal drug;
monochlorobenzenes
cypermethrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound		agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide
racemethorphan[no description available]low00aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound
dibucaine[no description available]low00aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic
dilacor xr[no description available]low00acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound
domiphen[no description available]low00aromatic ether
donepezil[no description available]low00aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
epirizole[no description available]low00aromatic ether
ethacrynic acid[no description available]low00aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
ethoxyquin[no description available]low00aromatic ether;
quinolines		antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator
ethoxzolamide[no description available]low00aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2-hexyloxybenzamide[no description available]low00aromatic ether;
benzamides		antifungal agent
carbonyl cyanide p-trifluoromethoxyphenylhydrazone[no description available]low00aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore
fenofibrate[no description available]low00aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fenvalerate[no description available]low00aromatic ether;
carboxylic ester;
monochlorobenzenes		pyrethroid ester acaricide;
pyrethroid ester insecticide
flecainide[no description available]low00aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluoxetine[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
gallamine triethiodide[no description available]low00aromatic ether
gemfibrozil[no description available]low00aromatic etherantilipemic drug
haloprogin[no description available]low00aromatic ether
indomethacin[no description available]low00aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
ipriflavone[no description available]low00aromatic ether;
isoflavones		bone density conservation agent
ly 171883[no description available]low00acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist
mephenesin[no description available]low00aromatic ether;
glycerol ether
methocarbamol[no description available]low00aromatic ether;
carbamate ester;
secondary alcohol
methoctramine[no description available]low00aromatic ether;
tetramine		muscarinic antagonist
metoprolol[no description available]low00aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
mexiletine[no description available]low00aromatic ether;
primary amino compound		anti-arrhythmia drug
midodrine[no description available]low00amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
clorgyline[no description available]low00aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
nefazodone[no description available]low00aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nimesulide[no description available]low00aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nisoxetine[no description available]low00aromatic ether;
secondary amino compound		adrenergic uptake inhibitor;
antidepressant
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide[no description available]low00aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor
omeprazole[no description available]low00aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
oxprenolol[no description available]low00aromatic ether
pantoprazole[no description available]low00aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
pd 153035[no description available]low00aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
pentamidine[no description available]low00aromatic 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
phenacetin[no description available]low00acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
pioglitazone[no description available]low00aromatic 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
piretanide[no description available]low00aromatic ether
pramoxine[no description available]low00aromatic ether;
morpholines		local anaesthetic
prazosin[no description available]low00aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine[no description available]low00aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
proglumetacin[no description available]low00aromatic 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
propoxur[no description available]low00aromatic ether;
carbamate ester		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
pyrilamine[no description available]low00aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
sulfadimethoxine[no description available]low00aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
tilorone[no description available]low00aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
ultram[no description available]low00aromatic ether;
tertiary alcohol;
tertiary amino compound
triclosan[no description available]low00aromatic 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
viloxazine[no description available]low00aromatic ether
wb 4101[no description available]low00aromatic ether;
benzodioxine;
secondary amino compound		alpha-adrenergic antagonist
3,3',5-triiodothyropropionic acid[no description available]low00aromatic ether
methacetin[no description available]low00acetamides;
aromatic ether
mestranol[no description available]low0017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
2-tert-butyl-4-hydroxyanisole[no description available]low00aromatic ether;
phenols
mecoprop[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes
phenetidine[no description available]low00aromatic ether;
substituted aniline
2-methyl-4-chlorophenoxy gamma-butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
xenobiotic
4-bromophenyl phenyl ether[no description available]low00aromatic ether;
organobromine compound
di-(4-aminophenyl)ether[no description available]low00aromatic ether
phenyl ether[no description available]low00aromatic etherplant metabolite
diglycidyl resorcinol ether[no description available]low00aromatic ether
phenetole[no description available]low00aromatic ether
scoparone[no description available]low00aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
dichlorprop[no description available]low00aromatic ether;
dichlorobenzene;
monocarboxylic acid
3-tert-butyl-4-hydroxyanisole[no description available]low00aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite
ethyl vanillin[no description available]low00aromatic ether;
benzaldehydes;
phenols		antioxidant;
flavouring agent
benzethonium chloride[no description available]low00aromatic ether;
chloride salt;
quaternary ammonium salt		antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant
peucedanin[no description available]low00aromatic ether;
furanocoumarin;
lactone		plant metabolite
phenetidine[no description available]low00aromatic ether;
primary amino compound;
substituted aniline		drug metabolite
6-methoxybenzoxazolinone[no description available]low00aromatic ether;
benzoxazole		antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite
3-anisidine[no description available]low00aromatic ether;
substituted aniline
domiphen bromide[no description available]low00aromatic ether
dibrompropamidine[no description available]low00aromatic ether
4-Ethoxyphenol[no description available]low00aromatic ether;
phenols
bulbocapnine[no description available]low00aporphine alkaloid;
aromatic ether;
oxacycle;
phenols		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite
benzydamine[no description available]low00aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug
xylocholine[no description available]low00aromatic ether
3-methoxycatechol[no description available]low00aromatic ether;
catechols		G-protein-coupled receptor agonist
2-phenoxypropanoic acid[no description available]low00aromatic ether;
carboxylic acid
6-methoxyquinoline[no description available]low00aromatic ether;
quinolines
metaxalone[no description available]low00aromatic ether
heliamine[no description available]low00aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines		plant metabolite
2,4,6-trichlorophenyl 4-nitrophenyl ether[no description available]low00aromatic ether;
C-nitro compound;
chlorobenzenes		EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
etridiazol[no description available]low00aromatic ether;
organochlorine compound;
thiadiazole antifungal agent;
thiadiazoles		antifungal agrochemical;
nitrification inhibitor
toliprolol[no description available]low00aromatic ether
5-methoxyindoleacetic acid[no description available]low00aromatic ether;
indole-3-acetic acids		antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite
iproclozide[no description available]low00aromatic ether
phenoxyacetic acid[no description available]low00aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant
nafenopin[no description available]low00aromatic ether;
monocarboxylic acid
methyl vanillate[no description available]low00aromatic ether;
benzoate ester;
phenols		antioxidant;
plant metabolite
5-methoxyindole-2-carboxylic acid[no description available]low00aromatic ether;
indolecarboxylic acid		EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite
2-isopropoxyphenol[no description available]low00aromatic ether;
phenols
dehydroemetine[no description available]low00aromatic ether;
isoquinolines;
pyridoisoquinoline		antileishmanial agent;
antimalarial;
antiprotozoal drug
1,2-epoxy-3-(p-nitrophenoxy)propane[no description available]low00aromatic ether;
C-nitro compound;
epoxide
laurolitsine[no description available]low00aporphine alkaloid;
aromatic ether;
phenols		HIV-1 integrase inhibitor;
metabolite
metocurine iodide[no description available]low00aromatic ether
ac 45594[no description available]low00aromatic ether
3-phenoxybenzylalcohol[no description available]low00aromatic ether;
benzyl alcohols		marine xenobiotic metabolite
devrinol[no description available]low00aromatic ether;
monocarboxylic acid amide;
naphthalenes
fluorodifen[no description available]low00aromatic ether
acridine half-mustard[no description available]low00aminoacridines;
aromatic ether;
organochlorine compound;
secondary amino compound		mutagen
precocene i[no description available]low00aromatic ether;
chromenes		plant metabolite;
precocenes
oxadiazon[no description available]low00aromatic ether
lofexidine[no description available]low00aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles		alpha-adrenergic agonist;
antihypertensive agent
alclofenac[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
phenylglycidyl ether[no description available]low00aromatic ether
phenoxyethanol[no description available]low00aromatic ether;
glycol ether;
primary alcohol		antiinfective agent;
central nervous system depressant
metipranolol[no description available]low00acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
silybin[no description available]low00aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite
oxamethacin[no description available]low00aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
canadine[no description available]low00aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle
7-ethoxycoumarin[no description available]low00aromatic ether;
coumarins
medifoxamine[no description available]low00aromatic ether
chlormethoxynil[no description available]low00aromatic ether
climbazole[no description available]low00aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes
4-hexyloxyaniline[no description available]low00aromatic ether;
substituted aniline
ticrynafen[no description available]low00aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid[no description available]low00aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid
bezafibrate[no description available]low00aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
oxyfluorofen[no description available]low00aromatic etherEC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
triadimefon[no description available]low00aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles
levobunolol[no description available]low00aromatic ether;
cyclic ketone;
propanolamine		antiglaucoma drug;
beta-adrenergic antagonist
dichlorfop-methyl[no description available]low00aromatic ether;
dichlorobenzene;
diether;
methyl ester
decamethrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound		agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide
triadimenol[no description available]low00aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
triclopyr[no description available]low00aromatic ether;
chloropyridine;
monocarboxylic acid		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
prenalterol[no description available]low00aromatic ether
st 1059[no description available]low00aromatic ether;
primary amino compound;
secondary alcohol		alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
paroxetine[no description available]low00aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
acifluorfen[no description available]low00aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
bopindolol[no description available]low00aromatic ether;
benzoate ester;
methylindole;
secondary amino compound
fenpropathrin, (+-)-isomer[no description available]low00aromatic ether;
cyclopropanecarboxylate ester		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
triflumuron[no description available]low00aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound
flutolanil[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
benzanilide fungicide		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
fenoxaprop ethyl[no description available]low00aromatic ether
triclabendazole[no description available]low00aromatic ether
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid[no description available]low00aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		environmental contaminant;
herbicide;
xenobiotic
fluvalinate[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
haloxyfop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines
fluazifop-butyl[no description available]low00aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines
fomesafen[no description available]low00aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
fenoxycarb[no description available]low00aromatic ether;
carbamate ester		environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic
quizalofop-ethyl[no description available]low00aromatic ether;
ethyl ester;
organochlorine compound;
quinoxaline derivative
cetamolol[no description available]low00aromatic ether
atomoxetine[no description available]low00aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
methyl bensulfuron[no description available]low00aromatic ether;
methyl ester;
N-sulfonylurea;
pyrimidines		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
itraconazole[no description available]low00aromatic 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
loxtidine[no description available]low00aromatic ether;
piperidines;
primary alcohol;
triazoles		H2-receptor antagonist
disoxaril[no description available]low00aromatic ether
chlorimuron ethyl[no description available]low00aromatic ether;
ethyl ester;
N-sulfonylurea;
organochlorine pesticide;
pyrimidines;
sulfamoylbenzoate		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide
tepoxalin[no description available]low00aromatic 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
esmolol[no description available]low00aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
pioglitazone hydrochloride[no description available]low00aromatic ether
aripiprazole[no description available]low00aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
sulfametrole[no description available]low00aromatic ether;
substituted aniline;
sulfonamide antibiotic;
thiadiazoles
propamidine[no description available]low00aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
hexamidine[no description available]low00aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
o-4-methylthymine[no description available]low00aromatic ether;
methylthymine		human metabolite
fenclofenac[no description available]low00aromatic ether
tetraiodothyroacetic acid[no description available]low002-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone
fluazuron[no description available]low00aromatic ether;
chloropyridine;
monochlorobenzenes;
N-acylurea;
organochlorine acaricide;
organofluorine acaricide;
phenylureas		acaricide;
mite growth regulator
etiroxate[no description available]low00aromatic ether
etofamide[no description available]low00aromatic ether
d 888[no description available]low00aromatic ether;
nitrile;
tertiary amino compound		anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent
esreboxetine[no description available]low00aromatic ether
guaethol[no description available]low00aromatic ether;
phenols;
volatile organic compound		flavouring agent
spiramide[no description available]low00aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
serotonergic antagonist
5'-nitro-2'-propoxyacetanilide[no description available]low00aromatic ether;
C-nitro compound
suberosin[no description available]low00aromatic ether;
coumarins		anticoagulant;
plant metabolite
4-methoxyestradiol[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols		estrogen;
human metabolite;
rat metabolite
toltrazuril[no description available]low00aromatic ether
plafibride[no description available]low00aromatic ether
cinitapride[no description available]low00aromatic ether;
C-nitro compound
ethofenprox[no description available]low00aromatic etherpyrethroid ether insecticide
uk 68798[no description available]low00aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
hp 873[no description available]low001,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
fenoxypropazine[no description available]low00aromatic ether
fluphenacur[no description available]low00aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound
amezinium[no description available]low00aromatic ether;
primary arylamine;
pyridazinium ion		adrenergic uptake inhibitor;
antihypotensive agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
sympathomimetic agent
rubrofusarin[no description available]low00aromatic ether;
benzochromenone;
phenols;
polyketide		biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite
triasulfuron[no description available]low001,3,5-triazines;
aromatic ether;
N-sulfonylurea;
organochlorine compound		agrochemical;
herbicide
dauricine[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite
uvaretin[no description available]low00aromatic ether;
dihydrochalcones;
polyketide;
resorcinol		antineoplastic agent;
plant metabolite
fangchinoline[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
prochloraz[no description available]low00amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
stictic acid[no description available]low00aromatic ether
pramoxine hydrochloride[no description available]low00aromatic ether
4-methoxybenzylamine[no description available]low00aralkylamino compound;
aromatic ether;
primary amino compound
xanthurenic acid 8-methyl ether[no description available]low00aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite
adriamycinol[no description available]low00aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones		cardiotoxic agent;
drug metabolite
difenoconazole[no description available]low00aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
a 8947[no description available]low00aromatic ether;
biaryl;
N-sulfonylurea;
pyrazole pesticide;
tetrazoles		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
thifluzamide[no description available]low001,3-thiazoles;
anilide fungicide;
aromatic amide;
aromatic ether;
dibromobenzene;
organofluorine compound		antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
ethylhydrocupreine[no description available]low00aromatic ether;
cinchona alkaloid		EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
4,5-dimethoxy-2-nitrobenzaldehyde[no description available]low00aromatic ether;
C-nitro compound
bisphenol f diglycidyl ether[no description available]low00aromatic ether;
diarylmethane;
epoxide
oryzemate[no description available]low001,2-benzisothiazole;
aromatic ether;
benzothiazole fungicide;
sulfone		antifungal agrochemical;
plant activator
bitertanol[no description available]low00aromatic ether;
biphenyls;
secondary alcohol;
triazoles
fluazifop[no description available]low00aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines
diflufenican[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide		carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic
hexafluoron[no description available]low00aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organochlorine insecticide;
organofluorine insecticide
diethofencarb[no description available]low00aromatic ether;
carbamate ester;
carbanilate fungicide		antifungal agrochemical
pyriproxyfen[no description available]low00aromatic ether;
pyridines		juvenile hormone mimic
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate[no description available]low00aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea		EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide
dpx e9636[no description available]low00aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone		environmental contaminant;
herbicide;
xenobiotic
aclonifen[no description available]low00aromatic ether;
C-nitro compound;
monochlorobenzenes;
primary amino compound;
substituted aniline		agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
cinosulfuron[no description available]low00aromatic ether
clodinafop-propargyl[no description available]low00aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines		agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide
triflusulfuron-methyl[no description available]low001,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide
vestitol[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		anti-inflammatory agent;
phytoalexin;
plant metabolite
laudanine[no description available]low00aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate
cryptopleurine[no description available]low00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor
6-hydroxymethylmexiletine[no description available]low00aromatic ether
4-hydroxymexiletine[no description available]low00aromatic ether;
phenols
cloquintocet-mexyl[no description available]low00aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines
novaluron[no description available]low00aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound
bursehernin[no description available]low00aromatic ether;
benzodioxoles;
butan-4-olide;
lignan		plant metabolite
2,2',4,4'-tetrabromodiphenyl ether[no description available]low00aromatic ether;
organobromine compound
allocryptopine[no description available]low00aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound
sporidesmin[no description available]low00aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator
syringaresinol[no description available]low00aromatic ether;
furofuran;
lignan;
polyether;
polyphenol		plant metabolite
p-methoxy-n-methylphenethylamine[no description available]low00aromatic ether;
secondary amino compound		metabolite
aflatoxin q1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human xenobiotic metabolite
u 73122[no description available]low00aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
cyfluthrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester insecticide
norverapamil[no description available]low00aromatic ether;
nitrile;
polyether;
secondary amino compound
fumitremorgin a[no description available]low00aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		mycotoxin
aristolochic acid ii[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
tephrosin[no description available]low00aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide
alpha-hydroxymetoprolol[no description available]low00aromatic ether
5-(tetradecyloxy)-2-furancarboxylic acid[no description available]low00aromatic ether;
furoic acid		antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist
tafenoquine[no description available]low00(trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound
5-hydroxymethylomeprazole[no description available]low00aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		drug metabolite
mosapride[no description available]low00aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound
ym 12617[no description available]low00aromatic ether;
secondary amino compound;
sulfonamide
gefitinib[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
cgp 28392[no description available]low00aromatic ether
sodium-binding benzofuran isophthalate[no description available]low001-benzofurans;
aromatic ether;
crown compound;
tetracarboxylic acid		fluorochrome
garenoxacin[no description available]low00aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
non-steroidal anti-inflammatory drug
ay 25545[no description available]low00acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine		antimicrobial agent;
antineoplastic agent;
bacterial metabolite
reboxetine[no description available]low00aromatic ether
b 823-08[no description available]low00aromatic ether
cyclazosin[no description available]low00aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative		adenosine A2A receptor antagonist
ivabradine[no description available]low00aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound		cardiotonic drug
febuxostat[no description available]low001,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
marsupsin[no description available]low001-benzofurans;
aromatic ether;
polyphenol		antilipemic drug;
hypoglycemic agent;
metabolite
6,6'-bieckol[no description available]low00aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger
xibenolol[no description available]low00aromatic ether
cicloprolol[no description available]low00aromatic ether
chs 828[no description available]low00aromatic ether
2-(4-methoxyphenoxy)propanoic acid[no description available]low00aromatic ether;
carboxylic acid
moxifloxacin[no description available]low00aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
rp 73401[no description available]low00aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide		anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor
2,2',4,4',5,5'-hexabrominated diphenyl ether[no description available]low00aromatic ether;
organobromine compound
varespladib[no description available]low00aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor
birb 796[no description available]low00aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
s 23121[no description available]low00aromatic ether;
dicarboximide;
monochlorobenzenes;
monofluorobenzenes;
pyrroline;
terminal acetylenic compound
acrovestone[no description available]low00acetophenones;
aromatic ether;
olefinic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
corytuberine[no description available]low00aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound		plant metabolite
actinodaphine[no description available]low00aporphine 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
isohomovanillic acid[no description available]low00aromatic ether;
phenols;
phenylacetic acids		metabolite
3,5-diiodothyropropionic acid[no description available]low00aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols
7,8-dihydro-5,6-dehydrokawain[no description available]low002-pyranones;
aromatic ether
4-amino-2-methoxypyrimidine[no description available]low00aminopyrimidine;
aromatic ether;
methylcytosine		metabolite
aristolochic acid D[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin
myricanone[no description available]low00aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite
pannarin[no description available]low00aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols		antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite
aminopotentidine[no description available]low00aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline		H2-receptor antagonist
aristolochic acid c[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
pluviatolide[no description available]low00aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols		plant metabolite
erysodine[no description available]low00aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols		antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide
erlotinib[no description available]low00aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
rubrofusarin B[no description available]low00aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide		Aspergillus metabolite
ly 293111[no description available]low00aromatic ether
enrasentan[no description available]low00aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol		antihypertensive agent;
endothelin receptor antagonist
quizalofop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative
cyhalofop-butyl[no description available]low00aromatic ether
cyperin[no description available]low00aromatic ether
aflatoxin b1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
etravirine[no description available]low00aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
5-o-methyllicoricidin[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite
pronuciferine[no description available]low00aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound		plant metabolite
dronedarone[no description available]low001-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
famoxadone[no description available]low00aromatic ether;
carbohydrazide;
oxazolidinone
cimicoxib[no description available]low00aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
sorafenib[no description available]low00(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
dabuzalgron[no description available]low00aromatic ether;
imidazoles;
monochlorobenzenes;
sulfonamide		alpha-adrenergic agonist
fonsecin[no description available]low00aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols		Aspergillus metabolite;
marine metabolite
lasofoxifene[no description available]low00aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins		antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist
(+-)-Dihydromethysticin[no description available]low002-pyranones;
aromatic ether
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline[no description available]low00aromatic ether;
substituted aniline
chondocurine (1beta)-(+-)-isomer[no description available]low00aromatic ether
1-methyl-4-prop-2-enoxy-2-pyrimidinone[no description available]low00aromatic ether;
pyrimidone
noscapine[no description available]low00aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile[no description available]low00aromatic ether;
C-nitro compound
lariciresinol[no description available]low00aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol		antifungal agent;
plant metabolite
tryptoquivaline[no description available]low00aromatic ether;
indole alkaloid;
organic heteropentacyclic compound		breast cancer resistance protein inhibitor;
mycotoxin
2-methoxyestrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols		human metabolite;
mouse metabolite
win 54954[no description available]low00aromatic ether
silychristin[no description available]low001-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger
cleomiscosin a[no description available]low00aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol		anti-inflammatory agent;
metabolite
bispyribac[no description available]low00aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines		herbicide
petunidin-3-glucoside[no description available]low00anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite
malvidin-3-glucoside[no description available]low00anthocyanin cation;
aromatic ether;
beta-D-glucoside		metabolite
dioncophylline c[no description available]low00aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols		antimalarial;
antiplasmodial drug;
metabolite
stigmatellin[no description available]low00aromatic ether;
chromones;
olefinic compound;
phenols		bacterial metabolite;
quinol oxidation site inhibitor
roflumilast[no description available]low00aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound		anti-asthmatic drug;
phosphodiesterase IV inhibitor
teniposide[no description available]low00aromatic 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
prinomastat[no description available]low00aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor
posaconazole[no description available]low00aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
gancaonin I[no description available]low001-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
plant metabolite
glycyrin[no description available]low00aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite
glyasperin D[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		plant metabolite
licoricidin[no description available]low00aromatic ether;
hydroxyisoflavans;
methoxyisoflavan		antibacterial agent;
plant metabolite
egonol[no description available]low001-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol		plant metabolite
N-ethylharmine[no description available]low00aromatic ether;
beta-carbolines;
semisynthetic derivative		anti-HIV agent
pf 1163a[no description available]low00aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol		antifungal agent;
Penicillium metabolite
pf 1163b[no description available]low00aromatic ether;
lactam;
macrolide antibiotic		antifungal agent;
Penicillium metabolite
licocoumarone[no description available]low001-benzofurans;
aromatic ether;
resorcinols		antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide[no description available]low00aromatic ether
LSM-22807[no description available]low00aromatic ether
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide[no description available]low00aromatic ether
piperlactam s[no description available]low00alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite
5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one[no description available]low00aromatic ether
antofine[no description available]low00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
xanthohumol[no description available]low00aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite
2-phenoxy-N-(2-pyridinyl)butanamide[no description available]low00aromatic ether
6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile[no description available]low00aromatic ether;
pyranopyrazole
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide[no description available]low00aromatic ether
2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole[no description available]low00aromatic ether
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide[no description available]low00aromatic ether
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol[no description available]low00aromatic ether
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine[no description available]low00aromatic ether
1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole[no description available]low00aromatic ether
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide[no description available]low00aromatic ether
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile[no description available]low00aromatic ether;
pyranopyrazole
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone[no description available]low00aromatic ether
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol[no description available]low00aromatic ether
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine[no description available]low00aromatic ether
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole[no description available]low00aromatic ether
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole[no description available]low00aromatic ether;
triazolothiadiazole
4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile[no description available]low00aromatic ether
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione[no description available]low00aromatic ether
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one[no description available]low00aromatic ether
4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile[no description available]low00aromatic ether
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester[no description available]low00aromatic ether
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide[no description available]low00aromatic ether
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide[no description available]low00aromatic ether
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide[no description available]low00aromatic ether
7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione[no description available]low00aromatic ether
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester[no description available]low00aromatic ether
2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide[no description available]low00aromatic ether
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine[no description available]low00aromatic ether
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol[no description available]low00aromatic ether;
C-nitro compound
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester[no description available]low00aromatic ether
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole[no description available]low00aromatic ether
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione[no description available]low00aromatic ether
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole[no description available]low00aromatic ether
4-(4-phenylmethoxyphenyl)thiadiazole[no description available]low00aromatic ether
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide[no description available]low00aromatic ether;
C-nitro compound
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone[no description available]low00aromatic ether
4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile[no description available]low00aromatic ether
N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide[no description available]low00aromatic ether
1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea[no description available]low00aromatic ether
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea[no description available]low00aromatic ether
1-cyclopentyl-3-(4-phenoxyphenyl)thiourea[no description available]low00aromatic ether
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide[no description available]low00aromatic ether
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide[no description available]low00aromatic ether
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide[no description available]low00aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide[no description available]low00aromatic ether
N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide[no description available]low00aromatic ether
5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole[no description available]low00aromatic ether
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole[no description available]low00aromatic ether
curcumin[no description available]low00aromatic 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
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea[no description available]low00aromatic ether;
C-nitro compound
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea[no description available]low00aromatic ether
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide[no description available]low00aromatic ether;
C-nitro compound
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine[no description available]low00aromatic ether
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea[no description available]low00aromatic ether;
C-nitro compound
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide[no description available]low00aromatic ether
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone[no description available]low00aromatic ether
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide[no description available]low00aromatic ether
1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea[no description available]low00aromatic ether
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide[no description available]low00aromatic ether
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide[no description available]low00aromatic ether
4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester[no description available]low00aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide[no description available]low00aromatic ether
1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone[no description available]low00aromatic ether
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide[no description available]low00aromatic ether
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide[no description available]low00aromatic ether
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide[no description available]low00aromatic ether
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide[no description available]low00aromatic ether
4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine[no description available]low00aromatic ether
4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester[no description available]low00aromatic ether
Src Inhibitor-1[no description available]low00aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide[no description available]low00aromatic ether
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile[no description available]low00aromatic ether
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one[no description available]low00aromatic ether
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone[no description available]low00aromatic ether
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine[no description available]low00aromatic ether
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione[no description available]low00aromatic ether
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea[no description available]low00aromatic ether
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide[no description available]low00aromatic ether
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline[no description available]low00aromatic ether
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile[no description available]low00aromatic ether
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole[no description available]low00aromatic ether
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole[no description available]low00aromatic ether
1-butyl-3-(4-phenoxyphenyl)thiourea[no description available]low00aromatic ether
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide[no description available]low00aromatic ether
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole[no description available]low00aromatic ether
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine[no description available]low00aromatic ether
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone[no description available]low00aromatic ether
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine[no description available]low00aromatic ether
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine[no description available]low00aromatic ether
5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole[no description available]low00aromatic ether
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine[no description available]low00aromatic ether
2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide[no description available]low00aromatic ether
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde[no description available]low00aromatic ether
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester[no description available]low00aromatic ether;
C-nitro compound
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione[no description available]low00aromatic ether
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine[no description available]low00aromatic ether
N-butyl-4-phenoxy-1-butanamine[no description available]low00aromatic ether
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester[no description available]low00aromatic ether
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione[no description available]low00aromatic ether;
C-nitro compound
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine[no description available]low00aromatic ether
2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester[no description available]low00aromatic ether
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester[no description available]low00aromatic ether
1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine[no description available]low00aromatic ether
N4-(2-methoxyphenyl)benzene-1,4-diamine[no description available]low00aromatic ether;
substituted aniline
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester[no description available]low00aromatic ether
2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester[no description available]low00aromatic ether
1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone[no description available]low00aromatic ether
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide[no description available]low00aromatic ether
4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine[no description available]low00aromatic ether
5-(3-fluorophenoxy)-8-nitroisoquinoline[no description available]low00aromatic ether
1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine[no description available]low00aromatic ether
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide[no description available]low00aromatic ether
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate[no description available]low00aromatic ether
N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide[no description available]low00aromatic ether
1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone[no description available]low00aromatic ether
5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one[no description available]low00aromatic ether
2-(4-aminophenoxy)isophthalonitrile[no description available]low00aromatic ether
N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine[no description available]low00aromatic ether
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide[no description available]low00aromatic ether
N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea[no description available]low00aromatic ether
6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester[no description available]low00aromatic ether
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide[no description available]low00aromatic ether;
C-nitro compound
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile[no description available]low00aromatic ether;
C-nitro compound
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide[no description available]low00aromatic ether;
C-nitro compound
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol[no description available]low00aromatic ether
1-[4-(3-ethoxyphenoxy)butyl]imidazole[no description available]low00aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide[no description available]low00aromatic ether
1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea[no description available]low00aromatic ether
N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide[no description available]low00aromatic ether
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide[no description available]low00aromatic ether;
C-nitro compound
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide[no description available]low00aromatic ether
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea[no description available]low00aromatic ether;
C-nitro compound
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide[no description available]low00aromatic ether
cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester[no description available]low00aromatic ether
toremifene[no description available]low00aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
dieckol[no description available]low00aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine[no description available]low00aromatic ether
naproxol[no description available]low00aromatic etherantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
tamoxifen n-oxide[no description available]low00aromatic ether;
tertiary amine oxide		anti-estrogen;
metabolite
diafenthiuron[no description available]low00aromatic ether;
thiourea acaricide;
thiourea insecticide		oxidative phosphorylation inhibitor;
proinsecticide
ospemifene[no description available]low00aromatic ether;
organochlorine compound;
primary alcohol		anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator
tandutinib[no description available]low00aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
zd 6474[no description available]low00aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
adefovir[no description available]low00aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol		antimalarial;
Aspergillus metabolite;
marine metabolite
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide[no description available]low00aromatic ether;
C-nitro compound
N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide[no description available]low00aromatic ether
N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide[no description available]low00aromatic ether
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide[no description available]low00aromatic ether
6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile[no description available]low00aromatic ether;
pyranopyrazole
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea[no description available]low00aromatic ether
quinoxyfen[no description available]low00aromatic ether;
monofluorobenzenes;
organochlorine compound;
quinolines		antifungal agrochemical
nafadotride[no description available]low00aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound		dopaminergic antagonist
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea[no description available]low00aromatic ether;
C-nitro compound
2-methyl-1,3-bis(phenylmethoxy)benzene[no description available]low00aromatic ether
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea[no description available]low00aromatic ether
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione[no description available]low00aromatic ether
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide[no description available]low00aromatic ether
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine[no description available]low00aromatic ether
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine[no description available]low00aromatic ether
1-[4-(2-chlorophenoxy)butyl]imidazole[no description available]low00aromatic ether;
imidazoles;
monochlorobenzenes
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide[no description available]low00aromatic ether;
C-nitro compound
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide[no description available]low00aromatic ether;
C-nitro compound
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide[no description available]low00aromatic ether
hydroxypioglitazone[no description available]low00aromatic ether;
pyridines;
thiazolidinediones		human xenobiotic metabolite
sc 560[no description available]low00aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
sc-19220[no description available]low00aromatic ether
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester[no description available]low00aromatic ether
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione[no description available]low00aromatic ether
2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester[no description available]low00aromatic ether
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide[no description available]low00aromatic ether
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile[no description available]low00aromatic ether;
substituted aniline
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide[no description available]low00aromatic ether
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol[no description available]low00aromatic ether
3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene[no description available]low00aromatic ether
fraxin[no description available]low00aromatic ether;
beta-D-glucoside;
hydroxycoumarin		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
fraxetin[no description available]low00aromatic ether;
hydroxycoumarin		anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent
jtk-303[no description available]low00aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		HIV-1 integrase inhibitor
coniferin[no description available]low00aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative		plant metabolite
daphnoretin[no description available]low00aromatic ether;
hydroxycoumarin		antineoplastic agent;
antiviral agent;
metabolite
kavain[no description available]low002-pyranones;
aromatic ether
hinokiflavone[no description available]low00aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent
gentiacaulein[no description available]low00aromatic ether;
polyphenol;
xanthones		plant metabolite
gentisin[no description available]low00aromatic ether;
polyphenol;
xanthones		plant metabolite
isogentisin[no description available]low00aromatic ether;
polyphenol;
xanthones		EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
mangostin[no description available]low00aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
1,8-dihydroxy-3,7-dimethoxyxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		plant metabolite
swerchirin[no description available]low00aromatic ether;
phenols;
xanthones		hypoglycemic agent;
metabolite
1,2,8-trihydroxy-6-methoxyxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		antioxidant;
plant metabolite
cyhalothrin[no description available]low00aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
sofalcone[no description available]low00aromatic ether;
chalcones;
monocarboxylic acid		anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite
neticonazole[no description available]low00aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
pibutidine[no description available]low00aromatic ether;
cyclobutenones;
olefinic compound;
piperidines;
primary amino compound;
pyridines;
secondary amino compound		anti-ulcer drug;
H2-receptor antagonist
purmorphamine[no description available]low00aromatic ether;
morpholines;
purines;
secondary amino compound		osteogenesis regulator;
SMO receptor agonist
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile[no description available]low00aromatic ether
ro 41-5253[no description available]low00aromatic ether;
benzoic acids;
sulfone;
thiochromane		apoptosis inducer;
retinoic acid receptor alpha antagonist
glycycoumarin[no description available]low00aromatic ether;
coumarins;
resorcinols		antispasmodic drug;
plant metabolite
isoginkgetin[no description available]low00aromatic ether;
biflavonoid		antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite
neoglycyrol[no description available]low00aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
plant metabolite
rhamnazin[no description available]low00aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite
bosutinib[no description available]low00aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
bw b70c[no description available]low00aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
lichexanthone[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
alternariol monomethyl ether[no description available]low00aromatic ether;
benzochromenone		antifungal agent;
fungal metabolite;
mycotoxin
decussatin[no description available]low00aromatic ether;
phenols;
xanthones		plant metabolite
bedaquiline[no description available]low00aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor
dimethomorph[no description available]low00aromatic ether;
enamide;
monochlorobenzenes;
morpholine fungicide;
tertiary carboxamide
benanomicin b[no description available]low00aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol
pradimicin b[no description available]low00aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol
1,7-dihydroxy-4-methoxyxanthone[no description available]low00aromatic ether;
phenols;
xanthones		metabolite;
plant metabolite
pradimicin a[no description available]low00aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol
clodinafop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide
ici 118551[no description available]low00aromatic ether;
indanes;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist
ochnaflavone[no description available]low00aromatic ether;
biflavonoid;
hydroxyflavone		anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite
3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide[no description available]low00aromatic ether
flavasperone[no description available]low00aromatic ether;
naphtho-gamma-pyrone;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite
4-hydroxycordoin[no description available]low00aromatic ether;
chalcones;
polyphenol		anti-inflammatory agent;
antibacterial agent;
plant metabolite
n-feruloylserotonin[no description available]low00aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide		plant metabolite
tyrphostin ag825[no description available]low00aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide		epidermal growth factor receptor antagonist
kresoxim-methyl[no description available]low00aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
5-methoxy-3,6-diphenyl-1,2,4-triazine[no description available]low00aromatic ether
pyrachlostrobin[no description available]low00aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
piericidin a[no description available]low00aromatic 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
metrafenone[no description available]low00aromatic ether;
aryl phenyl ketone fungicide;
benzophenones;
organobromine compound		antifungal agrochemical
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monocarboxylic acid amide;
monofluorobenzenes
b 43[no description available]low00aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
5-(4-phenylbutoxy)psoralen[no description available]low00aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker
5-ia-85380[no description available]low00aromatic ether
yunaconitine[no description available]low00acetate 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
ru 58668[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone		anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist
altenusin[no description available]low00aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol		antifungal agent;
fungal metabolite
gw 501516[no description available]low001,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist
bay 58-2667[no description available]low00aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
camostat[no description available]low00aromatic ether;
phenols
lenvatinib[no description available]low00aromatic 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
nsc 716970[no description available]low00aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound		antineoplastic agent
lobeglitazone[no description available]low00aromatic ether
noviflumuron[no description available]low00aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
organofluorine compound
etomoxir[no description available]low00aromatic ether
fr 148083[no description available]low00aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
9-methoxycanthin-6-one[no description available]low00aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite
sb 3ct compound[no description available]low00aromatic ether
varespladib methyl[no description available]low00aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug
dapagliflozin[no description available]low00aromatic ether;
C-glycosyl compound;
monochlorobenzenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
naveglitazar[no description available]low00aromatic ether
tivozanib[no description available]low00aromatic ether
zm 447439[no description available]low00aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
ustiloxin b[no description available]low00aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin
hypothemycin[no description available]low00aromatic 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
tryprostatin a[no description available]low00aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine		breast cancer resistance protein inhibitor
cediranib[no description available]low00aromatic ether
3-iodothyronamine[no description available]low00aromatic ether
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride[no description available]low00aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound		antipsychotic agent;
receptor modulator
rubraxanthone[no description available]low00aromatic ether;
polyphenol;
xanthones		antibacterial agent;
antineoplastic agent;
metabolite
7,8-Dihydroyangonin[no description available]low002-pyranones;
aromatic ether
sch 51344[no description available]low00aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound		antineoplastic agent
ancistroealaine a[no description available]low00aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes		antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug
pimavanserin[no description available]low00aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas		5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist
tolfenpyrad[no description available]low00aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide		agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor
SIS3 free base[no description available]low00aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide		Smad3 inhibitor
apixaban[no description available]low00aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
bibw 2992[no description available]low00aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
dihydrokavain[no description available]low002-pyranones;
aromatic ether
troglitazone sulfate[no description available]low00aromatic ether;
thiazolidinone
arisugacin[no description available]low00aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite
saracatinib[no description available]low00aromatic 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
fonsecinone a[no description available]low00aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol		antibacterial agent;
Aspergillus metabolite
crenolanib[no description available]low00aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
aiphanol[no description available]low00aromatic ether;
benzodioxine;
lignan;
stilbenoid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
nigerloxin[no description available]low00aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes		antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger
msdc-0160[no description available]low00aromatic ether
dihydroxanthohumol[no description available]low00aromatic ether;
dihydrochalcones;
polyphenol		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite
PB28[no description available]low00aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
7-phloroeckol[no description available]low00aromatic ether;
phlorotannin		antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside[no description available]low00aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol		antineoplastic agent;
metabolite
PDGF receptor tyrosine kinase inhibitor III[no description available]low00aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
fluoxastrobin[no description available]low00aromatic ether;
dioxazine;
monochlorobenzenes;
organofluorine compound;
oxime O-ether;
pyrimidines;
strobilurin antifungal agent		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
flumorph[no description available]low00aromatic ether;
enamide;
morpholines;
organofluorine compound;
tertiary carboxamide
regorafenib[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
erastin[no description available]low00aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor
brivanib[no description available]low00aromatic 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
fg-4592[no description available]low00aromatic ether;
isoquinolines;
N-acylglycine		EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor
picoxystrobin[no description available]low00aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
cenicriviroc[no description available]low00aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide		anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist
mandipropamid[no description available]low00aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound
glyceryl ferulate[no description available]low001-monoglyceride;
aromatic ether;
enoate ester;
phenols		antioxidant;
plant metabolite;
ultraviolet filter
ki 8751[no description available]low00aromatic ether
ceratamine a[no description available]low00alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite
azd 8931[no description available]low00aromatic 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
bay94 9172[no description available]low00(18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline		radioactive imaging agent
olodaterol[no description available]low00aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
dorsomorphin[no description available]low00aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
cj-042794[no description available]low00aromatic ether
hu 308[no description available]low00aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid		anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist
ki11502[no description available]low00aromatic ether;
benzamides;
quinolines;
thioureas		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
apremilast[no description available]low00aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone		non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
PF-00835231[no description available]low00aromatic 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
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine[no description available]low00aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate		antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
chir-265[no description available]low00aromatic ether
aminocandin[no description available]low00aromatic ether;
echinocandin;
homodetic cyclic peptide		antiinfective agent
zk 756326[no description available]low00aromatic ether
bay 60-6583[no description available]low00aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide		adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent
empagliflozin[no description available]low00aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide[no description available]low00aromatic ether
bgt226[no description available]low00aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
n-desmethylrosiglitazone[no description available]low00aromatic ether
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide[no description available]low00aromatic ether
verruculogen[no description available]low00aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide		Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker
1-O-feruloyl-beta-D-glucose[no description available]low00aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols		antioxidant;
plant metabolite
2,2',4,5'-tetrabromodiphenyl ether[no description available]low00aromatic ether;
organobromine compound
hexabromodiphenyl ether 154[no description available]low00aromatic ether;
organobromine compound
bde 183[no description available]low00aromatic ether;
organobromine compound
l-798106[no description available]low00aromatic ether;
bromobenzenes;
N-sulfonylcarboxamide		prostaglandin receptor antagonist
aflatoxin m1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite
macitentan[no description available]low00aromatic ether;
organobromine compound;
pyrimidines;
ring assembly;
sulfamides		antihypertensive agent;
endothelin receptor antagonist;
orphan drug
CDN1163[no description available]low00aromatic ether;
quinolines;
secondary carboxamide		SERCA activator
e 7050[no description available]low00aromatic ether
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide[no description available]low00aromatic ether
dafadine C[no description available]low00aromatic amide;
aromatic ether;
difluorobenzene;
isoxazoles;
N-acylpiperidine;
pyridines		P450 inhibitor
dafadine B[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
monochlorobenzenes;
monofluorobenzenes;
N-acylpiperidine;
pyridines		P450 inhibitor
3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide[no description available]low00aromatic ether
violaceol II[no description available]low00aromatic ether;
catechols;
resorcinols		mycotoxin
pamapimod[no description available]low00aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound		antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk690693[no description available]low001,2,5-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
cnf 2024[no description available]low002-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor
uk 453,061[no description available]low00aromatic ether
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one[no description available]low00aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound
zm323881[no description available]low00aromatic ether;
benzyl ether;
fluorophenol;
halophenol;
monofluorobenzenes;
organic cation;
quinazolines;
secondary amino compound;
substituted aniline		vascular endothelial growth factor receptor antagonist
compound w[no description available]low00aromatic ether
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
interiotherin b[no description available]low00aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle		anti-HIV agent;
metabolite
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one[no description available]low00aromatic ether;
homoisoflavonoid;
polyphenol		angiogenesis modulating agent;
plant metabolite
ph 797804[no description available]low00aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
diorcinol[no description available]low00aromatic ether;
phenols		fungal metabolite;
marine metabolite;
metabolite
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00aromatic ether
mk 5108[no description available]low00aromatic ether
lde225[no description available]low00aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone[no description available]low00aromatic ether
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines		geroprotector;
P450 inhibitor
dafadine D[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
organofluorine compound;
pyridines		P450 inhibitor
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide[no description available]low00aromatic ether
dafadine O[no description available]low00aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines;
ring assembly		P450 inhibitor
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide[no description available]low00aromatic ether
pci 32765[no description available]low00acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
florbetapir f 18[no description available]low00(18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline		radioactive imaging agent
AMG-208[no description available]low00aromatic ether;
quinolines;
triazolopyridazine		antineoplastic agent;
c-Met tyrosine kinase inhibitor
6-methoxyspirotryprostatin b[no description available]low00aromatic ether;
azaspiro compound;
indole alkaloid;
indolones		antineoplastic agent;
Aspergillus metabolite
lucitanib[no description available]low00aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines		antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist
act-132577[no description available]low00aromatic ether;
organobromine compound;
pyrimidines;
sulfamides		antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite
cabozantinib[no description available]low00aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
poziotinib[no description available]low00acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
gsk 2126458[no description available]low00aromatic 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
gsk 1363089[no description available]low00aromatic ether
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[no description available]low00aromatic ether
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[no description available]low00aromatic ether
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[no description available]low00aromatic ether
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[no description available]low00aromatic ether
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[no description available]low00aromatic ether
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[no description available]low00aromatic ether
monepantel[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide		anthelminthic drug;
nematicide
an2728[no description available]low00aromatic ether;
benzoxaborole;
nitrile		antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
grazoprevir[no description available]low00aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative		antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent
hordatine a[no description available]low00aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols		adrenergic antagonist;
metabolite
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone[no description available]low00aromatic ether
tak-632[no description available]low00(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
lrrk2-in1[no description available]low00aromatic 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
quinolobactin[no description available]low00aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid		bacterial metabolite;
siderophore
AZD1979[no description available]low00aromatic ether;
azaspiro compound;
carboxamide;
N-acylazetidine;
oxadiazole;
oxaspiro compound;
oxetanes		melanin-concentrating hormone receptor antagonist
ML240[no description available]low00aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent
aripiprazole lauroxil[no description available]low00aromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist
abt-199[no description available]low00aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
xl765[no description available]low00aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
DMH1[no description available]low00aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide[no description available]low00aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes
pf 4800567[no description available]low00aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
propenylphosphonic acid[no description available]low00aromatic ether
abt-333[no description available]low00aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide		antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor
naloxegol[no description available]low00aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol		cathartic;
mu-opioid receptor antagonist
ceritinib[no description available]low00aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
MK-8353[no description available]low00aromatic 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
HG-10-102-01[no description available]low00aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide[no description available]low00aromatic ether
saroglitazar[no description available]low00aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles		hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist
fertaric acid[no description available]low00aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles
pf-06463922[no description available]low00aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
DDR1-IN-1[no description available]low00(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
N-alkylpiperazine;
oxindoles;
secondary carboxamide		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ldc4297[no description available]low00aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
MLI-2[no description available]low00aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ap20187[no description available]low00aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound		ligand
methysticin[no description available]low002-pyranones;
aromatic ether
biliatresone[no description available]low00aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols		plant metabolite;
toxin
tak 491[no description available]low001,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane		angiotensin receptor antagonist;
antihypertensive agent;
prodrug
azilsartan[no description available]low001,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent
hydrazinocurcumin[no description available]low00aromatic 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
mirodenafil[no description available]low00aromatic ether;
N-alkylpiperazine;
primary alcohol;
pyrrolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
cerulomycin[no description available]low00aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid		antineoplastic agent;
bacterial metabolite;
marine metabolite
undecylprodigiosin[no description available]low00alkaloid;
aromatic ether;
tripyrrole		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent
sb-590885[no description available]low00aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound
2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one[no description available]low00aromatic ether
PF-07304814[no description available]low00aromatic 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
1,2,3,4-tetrahydro-1-(phenylmethyl)isoquinoline[no description available]low00benzyltetrahydroisoquinoline
diglyme[no description available]low00polyetherenvironmental contaminant;
solvent;
xenobiotic
triglyme[no description available]low00polyethersolvent
tetraglyme[no description available]low00polyether
glaucine[no description available]low00aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound		antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite
er-086526[no description available]low00cyclic ketal;
cyclic ketone;
macrocycle;
polycyclic ether;
polyether;
primary amino compound		antineoplastic agent;
microtubule-destabilising agent
benzoylaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite
deoxyaconitine[no description available]low00acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound		plant metabolite
benzoylmesaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		analgesic;
antiinfective agent;
plant metabolite
bupropion[no description available]low00aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
sk&f-38393[no description available]low00benzazepine;
catechols;
secondary amino compound
monomethylpropion[no description available]low00aromatic ketone;
secondary amino compound
acebutolol[no description available]low00aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
albuterol[no description available]low00phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alminoprofen[no description available]low00amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
alprenolol[no description available]low00secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
amodiaquine[no description available]low00aminoquinoline;
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
benzylhydrochlorothiazide[no description available]low00benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide
betahistine[no description available]low00aminoalkylpyridine;
secondary amino compound		H1-receptor agonist;
vasodilator agent
carvedilol[no description available]low00carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
chloroquine[no description available]low00aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
clenbuterol[no description available]low00amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
clorprenaline[no description available]low00ethanolamines;
monochlorobenzenes;
secondary amino compound
desipramine[no description available]low00dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
diclofenac[no description available]low00amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
fenfluramine[no description available]low00(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
berotek[no description available]low00resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
formoterol fumarate[no description available]low00formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
glafenine[no description available]low00aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
guazatine[no description available]low00aliphatic nitrogen antifungal agent;
guanidines;
secondary amino compound		antifungal agrochemical
guvacine[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine		GABA reuptake inhibitor;
plant metabolite
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide[no description available]low00bromobenzenes;
isoquinolines;
olefinic compound;
secondary amino compound;
sulfonamide		EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
hydroxychloroquine[no description available]low00aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
isoproterenol[no description available]low00catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
ketamine[no description available]low00cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
labetalol[no description available]low00benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
meclofenamic acid[no description available]low00aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
mefenamic acid[no description available]low00aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
metaproterenol[no description available]low00aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
n(1), n(12)-diethylspermine[no description available]low00polyazaalkane;
secondary amino compound;
substituted spermine;
tetramine		antineoplastic agent
fenamic acid[no description available]low00aminobenzoic acid;
secondary amino compound		membrane transport modulator
nemonapride[no description available]low00benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline
oxamniquine[no description available]low00aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
pd 158780[no description available]low00aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
practolol[no description available]low00acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist
propafenone[no description available]low00aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
salmeterol xinafoate[no description available]low00ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
sotalol[no description available]low00ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
xylazine[no description available]low001,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
phenylephrine[no description available]low00phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
n,n'-diphenyl-4-phenylenediamine[no description available]low00N-substituted diamine;
secondary amino compound		antioxidant
methyl n-methylanthranilate[no description available]low00benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline		animal metabolite;
fungal metabolite;
plant metabolite
pseudoephedrine[no description available]low00phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
dyrene[no description available]low00monochlorobenzenes;
organochlorine pesticide;
secondary amino compound;
triazines		antifungal agrochemical
propylhexedrine[no description available]low00secondary amino compound
4-aminodiphenylamine[no description available]low00aromatic amine;
secondary amino compound		allergen
cyclopentamine[no description available]low00secondary amino compound
benzonatate[no description available]low00benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive
diisopropanolamine[no description available]low00aminodiol;
secondary alcohol;
secondary amino compound		buffer;
emulsifier;
surfactant
meglumine[no description available]low00hexosamine;
secondary amino compound
octamylamine[no description available]low00secondary amino compound
noramidopyrine[no description available]low00pyrazoles;
secondary amino compound		antipyretic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
opioid analgesic;
peripheral nervous system drug
diphenylamine[no description available]low00aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
spectinomycin[no description available]low00cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
isometheptene[no description available]low00secondary amino compound
n-methylaspartate[no description available]low00amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent
colterol[no description available]low00catechols;
ethanolamines;
secondary alcohol;
secondary amino compound;
triol		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent
du-21220[no description available]low00benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
amoscanate[no description available]low00C-nitro compound;
isothiocyanate;
secondary amino compound		schistosomicide drug
norflurazone[no description available]low00(trifluoromethyl)benzenes;
organochlorine compound;
pyridazinone;
secondary amino compound		agrochemical;
carotenoid biosynthesis inhibitor;
herbicide
amineptin[no description available]low00amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
bitolterol[no description available]low00carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug
pendimethalin[no description available]low00C-nitro compound;
secondary amino compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide
bupirimate[no description available]low00aminopyrimidine;
pyrimidine fungicide;
secondary amino compound;
sulfamate ester		androgen antagonist;
antifungal agrochemical
torsemide[no description available]low00aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
ractopamine[no description available]low00benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
temafloxacin[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
plerixafor[no description available]low00azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
sertraline[no description available]low00dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
nebivolol[no description available]low00chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
aceclofenac[no description available]low00amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
tubulosine[no description available]low00beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound
2-(methylamino)isobutyric acid[no description available]low00alanine derivative;
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
secondary amino compound		human urinary metabolite
caldopentamine[no description available]low00polyazaalkane;
primary amino compound;
secondary amino compound		marine metabolite
mepanipyrim[no description available]low00acetylenic compound;
aminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
hepatotoxic agent
cyprodinil[no description available]low00aminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
pyrimethanil[no description available]low00aminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
fluazinam[no description available]low00(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound		allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic
2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile[no description available]low00dimethoxybenzene;
nitrile;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite
phenylisopropyladenosine[no description available]low00aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent
3,4-methylenedioxyethamphetamine[no description available]low00benzodioxoles;
secondary amino compound
beta-n-methylamino-l-alanine[no description available]low00diamino acid;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound		bacterial metabolite;
neurotoxin
nopaline[no description available]low00amino acid opine;
D-glutamic acid derivative;
guanidines;
L-arginine derivative;
secondary amino compound;
tricarboxylic acid
octopine[no description available]low00amino acid opine;
amino dicarboxylic acid;
D-alpha-amino acid zwitterion;
D-arginine derivative;
guanidines;
secondary amino compound		animal metabolite;
xenobiotic metabolite
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
mannopine[no description available]low00amino acid opine;
dicarboxylic acid monoamide;
hexitol derivative;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound		plant metabolite
ezogabine[no description available]low00carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline		anticonvulsant;
potassium channel modulator
aj 76[no description available]low00secondary amino compound;
tetralins		dopaminergic antagonist
nsc 224070[no description available]low001,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound		alkylating agent;
antineoplastic agent
als 8123[no description available]low00carboxylic acid;
ethanolamines;
secondary amino compound
7-nitrobenzoxadiazole-6-aminohexanoic acid[no description available]low00benzoxadiazole;
C-nitro compound;
epsilon-amino acid;
secondary amino compound		fluorochrome
5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane[no description available]low00secondary amino compound
cox 189[no description available]low00amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
vatalanib[no description available]low00monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
cinacalcet[no description available]low00(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound		calcimimetic;
P450 inhibitor
guvacoline[no description available]low00alpha,beta-unsaturated carboxylic ester;
beta-amino acid ester;
enoate ester;
methyl ester;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine		muscarinic agonist;
plant metabolite
baeocystin[no description available]low00organic phosphate;
secondary amino compound;
tryptamine alkaloid		fungal metabolite;
hallucinogen
dizocilpine[no description available]low00secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
melagatran[no description available]low00azetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
alpha-putrescinylthymine[no description available]low00N-substituted putrescine;
pyrimidine nucleobase;
pyrimidone;
secondary amino compound;
tertiary amino compound
2-(4-morpholinoanilino)-6-cyclohexylaminopurine[no description available]low00morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
demecolcine[no description available]low00alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent
nsc 23766[no description available]low00aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound		antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
norbelladine[no description available]low00catechols;
phenethylamine alkaloid;
polyphenol;
secondary amino compound		plant metabolite
e 3040[no description available]low00benzothiazoles;
organic hydroxy compound;
pyridines;
secondary amino compound		anti-inflammatory drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
uricosuric drug
E3040 glucuronide[no description available]low00benzothiazoles;
beta-D-glucosiduronic acid;
pyridines;
secondary amino compound		xenobiotic metabolite
validamycin a[no description available]low00antibiotic fungicide;
polyol;
secondary amino compound;
validamycins		antifungal agrochemical;
EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor;
EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor;
EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
ergonovine[no description available]low00ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		diagnostic agent;
fungal metabolite;
oxytocic;
toxin
1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one[no description available]low00benzoic acids;
primary alcohol;
pyrrolidin-2-ones;
secondary amino compound
tolfenamic acid[no description available]low00aminobenzoic acid;
organochlorine compound;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
N-benzylquinazolin-4-amine[no description available]low00benzenes;
quinazolines;
secondary amino compound
s 1033[no description available]low00(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine[no description available]low00aromatic amine;
monofluorobenzenes;
pyridines;
quinazolines;
secondary amino compound;
substituted aniline
loline[no description available]low00loline alkaloid;
secondary amino compound
SMER 28[no description available]low00organobromine compound;
quinazolines;
secondary amino compound		autophagy inducer
amn082[no description available]low00benzenes;
diamine;
diarylmethane;
secondary amino compound		metabotropic glutamate receptor agonist;
neuroprotective agent
N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide[no description available]low00acetamide;
aromatic amine;
quinazolines;
secondary amino compound;
substituted aniline
spiraprilat[no description available]low00azaspiro compound;
dicarboxylic acid;
dipeptide;
dithioketal;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
dasatinib[no description available]low001,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
noribogaine[no description available]low00monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
secondary amino compound;
tertiary amino compound		kappa-opioid receptor agonist;
NMDA receptor antagonist;
psychotropic drug;
serotonin uptake inhibitor
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline[no description available]low00organic heterotricyclic compound;
organofluorine compound;
pyridines;
secondary amino compound
n,o-didesmethylvenlafaxine[no description available]low00cyclohexanols;
phenols;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite
n-desmethylvenlafaxine[no description available]low00cyclohexanols;
monomethoxybenzene;
secondary amino compound		drug metabolite;
marine xenobiotic metabolite
sb 415286[no description available]low00C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide[no description available]low00acetamide;
aromatic amine;
monofluorobenzenes;
quinazolines;
secondary amino compound;
substituted aniline
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine[no description available]low00aromatic amine;
piperidines;
pyridines;
quinazolines;
secondary amino compound;
tertiary amino compound
chanoclavine[no description available]low00benzoindole;
ergot alkaloid;
organic heterotricyclic compound;
primary alcohol;
secondary amino compound
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound		Hsp90 inhibitor
spirapril[no description available]low00azaspiro compound;
dicarboxylic acid monoester;
dipeptide;
dithioketal;
ethyl ester;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
palbociclib[no description available]low00aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
trandolaprilat[no description available]low00dicarboxylic acid;
dipeptide;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
human xenobiotic metabolite
amocarzine[no description available]low00C-nitro compound;
N-methylpiperazine;
secondary amino compound;
thioureas		antinematodal drug
imidapril[no description available]low00dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
imidaprilat[no description available]low00dicarboxylic acid;
dipeptide;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ximelagatran[no description available]low00amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
trandolapril[no description available]low00dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
GSK3-XIII[no description available]low00aromatic amine;
pyrazoles;
quinazolines;
secondary amino compound		EC 2.7.11.26 (tau-protein kinase) inhibitor
robenacoxib[no description available]low00aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
tanespimycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
indacaterol[no description available]low00indanes;
monohydroxyquinoline;
quinolone;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
panobinostat[no description available]low00cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound		angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
bis(7)-tacrine[no description available]low00secondary amino compoundapoptosis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent
r 115866[no description available]low00aromatic amine;
benzothiazoles;
secondary amino compound;
triazoles
pd 0325901[no description available]low00difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound		antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
dysiherbaine[no description available]low00amino dicarboxylic acid;
furopyran;
hydroxy carboxylic acid;
secondary amino compound		animal metabolite;
excitatory amino acid agonist;
marine metabolite;
neurotoxin
cangrelor[no description available]low00adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound		P2Y12 receptor antagonist;
platelet aggregation inhibitor
mocetinostat[no description available]low00aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
ticagrelor[no description available]low00aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor
solabegron[no description available]low00carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline		beta-adrenergic agonist
rucaparib[no description available]low00azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
chir 99021[no description available]low00aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound		EC 2.7.11.26 (tau-protein kinase) inhibitor
azd 6244[no description available]low00benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vilanterol[no description available]low00benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent
binimetinib[no description available]low00benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
3-epi-fagomine[no description available]low00amino monosaccharide;
hydroxypiperidine;
primary alcohol;
secondary alcohol;
secondary amino compound;
triol		EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor;
EC 3.2.1.23 (beta-galactosidase) inhibitor;
plant metabolite
ethaboxam[no description available]low001,3-thiazoles;
aromatic amide;
aromatic amine;
nitrile;
secondary amino compound;
thiophenes
abt-737[no description available]low00aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
validoxylamine a[no description available]low00amino cyclitol;
secondary amino compound		animal metabolite;
antibiotic insecticide;
bacterial metabolite;
EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
azd 1152[no description available]low00anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug
pf 00299804[no description available]low00enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
idelalisib[no description available]low00aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
sarpagine[no description available]low00indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound
vizamyl[no description available]low00(18)F radiopharmaceutical;
aromatic amine;
benzothiazoles;
secondary amino compound		radioactive imaging agent
azd 1152-hqpa[no description available]low00anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor
gdc-0973[no description available]low00aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pevonedistat[no description available]low00cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer
tg101209[no description available]low00N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
WAY-316606[no description available]low00(trifluoromethyl)benzenes;
piperidines;
secondary amino compound;
sulfonamide;
sulfone		secreted frizzled-related protein 1 inhibitor
navitoclax[no description available]low00aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide[no description available]low00aminopyrimidine;
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
asp3026[no description available]low00aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinib[no description available]low00benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pexidartinib[no description available]low00aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
(R)-DRF053[no description available]low002,6-diaminopurines;
phenylpyridine;
primary alcohol;
secondary amino compound		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
GDC-0623[no description available]low00hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
cblc137[no description available]low00aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator
mephedrone[no description available]low00amphetamines;
aromatic ketone;
secondary amino compound		environmental contaminant;
xenobiotic
ml228 probe[no description available]low001,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound		hypoxia-inducible factor pathway activator
gilteritinib[no description available]low00aromatic 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
chir 98014[no description available]low00aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator
AZD3463[no description available]low00aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
gsk2879552[no description available]low00benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
ML355[no description available]low00benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor
osimertinib[no description available]low00acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
ly3009120[no description available]low00aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor
as 1842856[no description available]low00organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent
hg-9-91-01[no description available]low00aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound		antineoplastic agent;
salt-inducible kinase 2 inhibitor
praliciguat[no description available]low00aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol		anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
chrysopine[no description available]low00amino acid opine;
carboxamide;
delta-lactone;
secondary amino compound;
spiroketal;
triol		plant metabolite
enasidenib[no description available]low001,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
BDA-366[no description available]low00anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer
THZ531[no description available]low00aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
indolmycin[no description available]low001,3-oxazoles;
indoles;
secondary amino compound		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
ethirimol[no description available]low00aminopyrimidine;
pyrimidine fungicide;
pyrimidone;
secondary amino compound		antifungal agrochemical
liproxstatin-1[no description available]low00azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound		antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger
ConditionIndicatedRelationship StrengthStudiesTrials
Adjuvant Arthritis0low10
Alcohol Drinking0low10
Arthritis, Adjuvant0low10
Arthritis, Adjuvant-Induced0low10
Arthritis, Collagen-Induced0low10
Arthritis, Experimental0low10
Arthritis, Rheumatoid0low10
Atherosclerotic Parkinsonism0low10
Benign Neoplasms, Brain0low10
Brain Cancer0low10
Brain Metastases0low10
Brain Neoplasm, Primary0low10
Brain Neoplasms0low10
Brain Neoplasms, Benign0low10
Brain Neoplasms, Malignant0low10
Brain Neoplasms, Malignant, Primary0low10
Brain Neoplasms, Primary Malignant0low10
Brain Tumor, Primary0low10
Brain Tumor, Recurrent0low10
Brain Tumors0low10
Cancer of Brain0low10
Cancer of the Brain0low10
Collagen Arthritis0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Disease Models, Animal0low10
Encephalitis, Polio0low10
Epidemic Acute Poliomyelitis0low10
Fever, Zika0low10
Glial Cell Tumors0low10
Glioma0low10
Idiopathic Parkinson Disease0low10
Idiopathic Parkinson's Disease0low10
Infantile Paralysis0low10
Intracranial Neoplasms0low10
Lewy Body Parkinson Disease0low10
Lewy Body Parkinson's Disease0low10
Malignant Glioma0low10
Malignant Neoplasms, Brain0low10
Malignant Primary Brain Neoplasms0low10
Malignant Primary Brain Tumors0low10
Mixed Glioma0low10
Neoplasms, Brain0low10
Neoplasms, Brain, Benign0low10
Neoplasms, Brain, Malignant0low10
Neoplasms, Brain, Primary0low10
Neoplasms, Intracranial0low10
Paralysis Agitans0low10
Parkinson Disease0low10
Parkinson Disease, Idiopathic0low10
Parkinson Disease, Secondary0low10
Parkinson Disease, Secondary Vascular0low10
Parkinson Disease, Symptomatic0low10
Parkinson's Disease0low10
Parkinson's Disease, Idiopathic0low10
Parkinson's Disease, Lewy Body0low10
Parkinsonism, Secondary0low10
Parkinsonism, Symptomatic0low10
Polio0low10
Polio Encephalitis0low10
Poliomyelitis0low10
Poliomyelitis Infection0low10
Poliomyelitis, Acute0low10
Poliomyelitis, Nonpoliovirus0low10
Poliomyelitis, Preparalytic0low10
Primary Brain Neoplasms0low10
Primary Malignant Brain Neoplasms0low10
Primary Malignant Brain Tumors0low10
Primary Parkinsonism0low10
Rheumatoid Arthritis0low10
Secondary Parkinsonism0low10
Secondary Vascular Parkinson Disease0low10
Symptomatic Parkinson Disease0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (1)

ArticleYear
Neurotoxic effects of papaverine, tetrahydropapaverine and dimethoxyphenylethylamine on dopaminergic neurons in ventral mesencephalic-striatal co-culture.
Brain research, Apr-18, Volume: 754, Issue: 1-2		1997
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]