Compounds > ferrostatin-1
Page last updated: 2024-08-01 03:30:26

ferrostatin-1

Description

ferrostatin-1: inhibits ferroptosis, an iron-dependent form of nonapoptotic cell death; structure in first source [MeSH]

ferrostatin-1 : An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals. [CHeBI]

Cross-References

ID SourceID
PubMed CID4068248
CHEMBL ID3633556
SCHEMBL ID2032512
SCHEMBL ID18137149
CHEBI ID173086
MeSH IDM0575784

Synonyms (38)

Synonym
CHEBI:173086
fer-1
ferrostatin-1
ferrrostatin 1
347174-05-4
3-amino-4-cyclohexylaminobenzoic acid ethyl ester
AKOS003388952
ethyl 3-amino-4-(cyclohexylamino)benzoate
S7243
ethyl 3-amino-4-cyclohexylaminobenzoate
UJHBVMHOBZBWMX-UHFFFAOYSA-N
3-amino-4-cyclohexylaminobenzoic acid, ethyl ester
3-amino-4-cyclohexylamino-benzoic acid ethyl ester
SCHEMBL2032512
ferrostatin-1 (fer-1)
ferrostatin 1
CHEMBL3633556
SCHEMBL18137149
mfcd08072959
benzoic acid, 3-amino-4-(cyclohexylamino)-, ethyl ester
HMS3653M21
C74788
J-019728
NCGC00370951-06
SW219400-1
BCP17366
CS-0019733
HY-100579
SB19587
CCG-267075
EX-A4243
3-amino-4-(cyclohexylamino)-benzoic acid, ethyl ester
SY270013
F1302
A903830
AS-57497
ethyl3-amino-4-(cyclohexylamino)benzoate
AC-36537

Roles (6)

RoleDescription
ferroptosis inhibitorAny substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
radiation protective agentAny compound that is able to protect normal cells from the damage caused by radiation therapy.
antioxidantA substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
radical scavengerA role played by a substance that can react readily with, and thereby eliminate, radicals.
antifungal agentAn antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
neuroprotective agentAny compound that can be used for the treatment of neurodegenerative disorders.

Drug Classes (3)

ClassDescription
substituted aniline
ethyl esterAny carboxylic ester resulting from the formal condensation of the carboxy group of a carboxylic acid with ethanol.
primary arylamineA primary amine formally derived from ammonia by replacing one hydrogen atom by an aryl group. R-NH2 where R is an aryl group.

Protein Targets (7)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency18.9991AID1645841
GVesicular stomatitis virusPotency5.3547AID1645842
cytochrome P450 2D6Homo sapiens (human)Potency9.5221AID1645840
Interferon betaHomo sapiens (human)Potency5.3547AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency5.3547AID1645842
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency5.3547AID1645842
cytochrome P450 2C9, partialHomo sapiens (human)Potency5.3547AID1645842

Bioassays (49)

Assay IDTitleYearJournalArticle
AID1363752Kinetic solubility in PBS at pH 7.4 after 2 hrs by turbidimetric method2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1742825Induction of ferroptosis in human T-24 cells assessed as increase in intracellular iron level at 0.2 uM by ICP-MS analysis (Rvb = 860.2 +/- 62.3 pg)2020European journal of medicinal chemistry, Nov-01, Volume: 205ISSN: 1768-3254Synthesis and in vitro anti-bladder cancer activity evaluation of quinazolinyl-arylurea derivatives.
AID1511937Inhibition of PMA-induced NETosis in human neutrophils assessed as inhibition of ROS production at 25 uM pretreated for 25 mins followed by PMA stimulation and measured after 20 mins by DCFH-DA based flow cytometry2019ACS medicinal chemistry letters, Sep-12, Volume: 10, Issue:9
ISSN: 1948-5875		Development of a Water-Soluble Indolylmaleimide Derivative IM-93 Showing Dual Inhibition of Ferroptosis and NETosis.
AID1727548Protection against TNFalpha/Smac-mimetic/Z-VAD-FMK-induced necroptosis in human HT-29 cells assessed as cell viability at 10 uM2021European journal of medicinal chemistry, Jan-01, Volume: 209ISSN: 1768-3254Structure-activity relationship studies of phenothiazine derivatives as a new class of ferroptosis inhibitors together with the therapeutic effect in an ischemic stroke model.
AID1255576Antileishmanial activity against promastigote stage of Leishmania major Friedlin clone V1 assessed as parasite survival after 72 hrs by luciferase reporter gene assay2015Bioorganic & medicinal chemistry letters, Nov-15, Volume: 25, Issue:22
ISSN: 1464-3405		Novel arylalkylamine compounds exhibits potent selective antiparasitic activity against Leishmania major.
AID1901979Antioxidant activity assessed as free radical scavenging activity incubated for 30 mins under dark condition by DPPH assay2022European journal of medicinal chemistry, Mar-05, Volume: 231ISSN: 1768-3254Discovery of novel diphenylbutene derivative ferroptosis inhibitors as neuroprotective agents.
AID1286195Antiferroptotic activity in human IMR32 neuroblastoma cells assessed as inhibition of erastin-induced cell death preincubated for 1 hr before erastin stimulation and measured after 13 hrs by fluorescence plate reader method2016Journal of medicinal chemistry, Mar-10, Volume: 59, Issue:5
ISSN: 1520-4804		Novel Ferroptosis Inhibitors with Improved Potency and ADME Properties.
AID1727570Inhibition of rotenone-induced oxidative cell death in human HT-1080 cells at 10 uM incubated for 24 hrs2021European journal of medicinal chemistry, Jan-01, Volume: 209ISSN: 1768-3254Structure-activity relationship studies of phenothiazine derivatives as a new class of ferroptosis inhibitors together with the therapeutic effect in an ischemic stroke model.
AID1901969Anti-ferroptotic activity against siRNA-mediated GPX4 knockdown induced ferroptosis in human HT-1080 cells at 1 uM preincubated for 12 hrs in Opti-MEM medium followed by compound addition and measured after 36 hrs2022European journal of medicinal chemistry, Mar-05, Volume: 231ISSN: 1768-3254Discovery of novel diphenylbutene derivative ferroptosis inhibitors as neuroprotective agents.
AID1725773Inhibition of erastin-induced cell death in FRDA patient-derived fibroblast assessed as depletion of cellular ATP incubated for 12 hrs followed by erastin stimulation and measured after by luciferase-linked ATPase enzymatic assay2020ACS medicinal chemistry letters, Nov-12, Volume: 11, Issue:11
ISSN: 1948-5875		Antiferroptotic Activity of Phenothiazine Analogues: A Novel Therapeutic Strategy for Oxidative Stress Related Disease.
AID1511931Inhibition of TBHP-induced ferroptosis in mouse NIH/3T3 cells after 12 hrs by WST-8 assay2019ACS medicinal chemistry letters, Sep-12, Volume: 10, Issue:9
ISSN: 1948-5875		Development of a Water-Soluble Indolylmaleimide Derivative IM-93 Showing Dual Inhibition of Ferroptosis and NETosis.
AID1286201Antiferroptotic activity in human HT1080 cells assessed as inhibition of erastin-induced cell death by Alamar blue assay2016Journal of medicinal chemistry, Mar-10, Volume: 59, Issue:5
ISSN: 1520-4804		Novel Ferroptosis Inhibitors with Improved Potency and ADME Properties.
AID1363755Half life in mouse liver microsomes at 10 uM in presence of NADPH regenerating system by LC/MS/MS analysis2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1363757Metabolic stability in rat plasma assessed as compound recovery at 50 uM after 6 hrs by LC/MS/MS analysis2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1827456Lipophilicity, log P of the compound2022ACS medicinal chemistry letters, Mar-10, Volume: 13, Issue:3
ISSN: 1948-5875		Synthesis and Optimization of Nitroxide-Based Inhibitors of Ferroptotic Cell Death in Cancer Cells and Macrophages.
AID1286197Half life in human liver microsomes by LC/MS/MS analysis2016Journal of medicinal chemistry, Mar-10, Volume: 59, Issue:5
ISSN: 1520-4804		Novel Ferroptosis Inhibitors with Improved Potency and ADME Properties.
AID1363754Half life in rat liver microsomes at 10 uM in presence of NADPH regenerating system by LC/MS/MS analysis2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1827452Anti-ferroptotic activity against Erastin-induced ferroptosis in human HT-1080 cells assessed as cell activity measured after 24 hrs by Cell Titer-Glo luminescent assay2022ACS medicinal chemistry letters, Mar-10, Volume: 13, Issue:3
ISSN: 1948-5875		Synthesis and Optimization of Nitroxide-Based Inhibitors of Ferroptotic Cell Death in Cancer Cells and Macrophages.
AID1727571Inhibition of H2O2-induced oxidative cell death in human HT-1080 cells at 10 uM incubated for 24 hrs2021European journal of medicinal chemistry, Jan-01, Volume: 209ISSN: 1768-3254Structure-activity relationship studies of phenothiazine derivatives as a new class of ferroptosis inhibitors together with the therapeutic effect in an ischemic stroke model.
AID1286199Stability in human plasma assessed as percentage recovery after 6 hrs by LC/MS/MS analysis2016Journal of medicinal chemistry, Mar-10, Volume: 59, Issue:5
ISSN: 1520-4804		Novel Ferroptosis Inhibitors with Improved Potency and ADME Properties.
AID1511930Inhibition of erastin-induced ferroptosis in mouse NIH/3T3 cells after 24 hrs by WST-8 assay2019ACS medicinal chemistry letters, Sep-12, Volume: 10, Issue:9
ISSN: 1948-5875		Development of a Water-Soluble Indolylmaleimide Derivative IM-93 Showing Dual Inhibition of Ferroptosis and NETosis.
AID1363763In vivo inhibition of iron sulphate-induced ferroptosis in C57BL/6N mouse assessed as LDH levels in plasma at 20 umol/kg, iv administered 15 mins prior to acute iron poisoning and measured after 2 hrs (Rvb = 3572 +/- 185 U/L)2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1901973Reduction in ROS accumulation in RSL-3 treated human HT-22 cells assessed as reduction in fluorescence intensity at 1 uM incubated for 4 hrs by C11-BODIPY staining based confocal laser scanning microscopic analysis2022European journal of medicinal chemistry, Mar-05, Volume: 231ISSN: 1768-3254Discovery of novel diphenylbutene derivative ferroptosis inhibitors as neuroprotective agents.
AID1511934Inhibition of PMA-induced NETosis in human neutrophils at 2.5 uM preincubated for 30 mins followed by PMA stimulation and measured after 3 hrs by Hoechst 33242 staining based fluorescence microscopic analysis2019ACS medicinal chemistry letters, Sep-12, Volume: 10, Issue:9
ISSN: 1948-5875		Development of a Water-Soluble Indolylmaleimide Derivative IM-93 Showing Dual Inhibition of Ferroptosis and NETosis.
AID1511936Inhibition of PMA-induced superoxide production in C57BL6 mouse neutrophils at 2.5 uM preincubated for 30 mins followed by PMA stimulation and measured after 30 mins by luminol-lucignenin based luminescence assay2019ACS medicinal chemistry letters, Sep-12, Volume: 10, Issue:9
ISSN: 1948-5875		Development of a Water-Soluble Indolylmaleimide Derivative IM-93 Showing Dual Inhibition of Ferroptosis and NETosis.
AID1286196Kinetic solubility of the compound in PBS buffer at pH 7.4 after 2 hrs at 37 deg C by turbidimetric analysis2016Journal of medicinal chemistry, Mar-10, Volume: 59, Issue:5
ISSN: 1520-4804		Novel Ferroptosis Inhibitors with Improved Potency and ADME Properties.
AID1286198Half life in mouse liver microsomes by LC/MS/MS analysis2016Journal of medicinal chemistry, Mar-10, Volume: 59, Issue:5
ISSN: 1520-4804		Novel Ferroptosis Inhibitors with Improved Potency and ADME Properties.
AID1725772Anti-ferroptotic activity in FRDA patient-derived Lymphocyte assessed as reduction in RSL3-induced lipid peroxidation incubated for overnight followed by RSL3 stimulation and measured after 90 mins by FACS analysis2020ACS medicinal chemistry letters, Nov-12, Volume: 11, Issue:11
ISSN: 1948-5875		Antiferroptotic Activity of Phenothiazine Analogues: A Novel Therapeutic Strategy for Oxidative Stress Related Disease.
AID1363762Inhibition of ferrous ammonium sulphate-induced ferroptosis in human IMR32 cells preincubated for 1 hr followed by erastin stimulation and measured after 13 hrs by sytox green-based fluorescence assay2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1869776Anti-ferroptotic activity against RSL3-induced ferroptosis in human HT-22 cells assessed as cell viability measured after 24 hrs by MTT assay2022Journal of natural products, 07-22, Volume: 85, Issue:7
ISSN: 1520-6025		Ferroptosis Inhibitory Aromatic Abietane Diterpenoids from
AID1286200Stability in mouse plasma assessed as percentage recovery after 6 hrs by LC/MS/MS analysis2016Journal of medicinal chemistry, Mar-10, Volume: 59, Issue:5
ISSN: 1520-4804		Novel Ferroptosis Inhibitors with Improved Potency and ADME Properties.
AID1727546Inhibition of erastin-induced ferroptosis in human HT-1080 cells assessed as cell viability incubated for 48 hrs by MTT assay2021European journal of medicinal chemistry, Jan-01, Volume: 209ISSN: 1768-3254Structure-activity relationship studies of phenothiazine derivatives as a new class of ferroptosis inhibitors together with the therapeutic effect in an ischemic stroke model.
AID1363758Metabolic stability in mouse plasma assessed as compound recovery at 50 uM after 6 hrs by LC/MS/MS analysis2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1511941Inhibition of PMA-induced NETosis in human neutrophils assessed as reduction in lipid peroxidation at 2.5 uM preincubated for 30 mins followed by PMA stimulation measured after 30 mins by C11-Bodipy fluorescent dye based flow cytometry2019ACS medicinal chemistry letters, Sep-12, Volume: 10, Issue:9
ISSN: 1948-5875		Development of a Water-Soluble Indolylmaleimide Derivative IM-93 Showing Dual Inhibition of Ferroptosis and NETosis.
AID1255578Cytotoxicity against monkey LLC-MK2 cells after 96 hrs by Alamar Blue assay2015Bioorganic & medicinal chemistry letters, Nov-15, Volume: 25, Issue:22
ISSN: 1464-3405		Novel arylalkylamine compounds exhibits potent selective antiparasitic activity against Leishmania major.
AID1511932Inhibition of PMA-induced NETosis in human neutrophils at 25 uM preincubated for 30 mins followed by PMA stimulation and measured after 3 hrs by Hoechst 33242 staining based fluorescence microscopic analysis2019ACS medicinal chemistry letters, Sep-12, Volume: 10, Issue:9
ISSN: 1948-5875		Development of a Water-Soluble Indolylmaleimide Derivative IM-93 Showing Dual Inhibition of Ferroptosis and NETosis.
AID1827453Anti-ferroptotic activity against RSL-3 induced ferroptosis in mouse RAW264.7 cells assessed as cell activity measured after 24 hrs by Cell Titer-Glo luminescent assay2022ACS medicinal chemistry letters, Mar-10, Volume: 13, Issue:3
ISSN: 1948-5875		Synthesis and Optimization of Nitroxide-Based Inhibitors of Ferroptotic Cell Death in Cancer Cells and Macrophages.
AID1363756Metabolic stability in human plasma assessed as compound recovery at 50 uM after 6 hrs by LC/MS/MS analysis2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1901970Anti-ferroptotic activity against RSL-3-induced morphological changes in human HT-22 cells assessed as retention of cell morphology at 1 uM measured after 24 hrs2022European journal of medicinal chemistry, Mar-05, Volume: 231ISSN: 1768-3254Discovery of novel diphenylbutene derivative ferroptosis inhibitors as neuroprotective agents.
AID1363753Half life in human liver microsomes at 10 uM in presence of NADPH regenerating system by LC/MS/MS analysis2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1363751Inhibition of erastin-induced ferroptosis in human IMR32 cells preincubated for 1 hr followed by erastin stimulation and measured after 13 hrs by sytox green-based fluorescence assay2018Journal of medicinal chemistry, 11-21, Volume: 61, Issue:22
ISSN: 1520-4804		Discovery of Novel, Drug-Like Ferroptosis Inhibitors with in Vivo Efficacy.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560		Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508612NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling2017Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3
ISSN: 1464-3391		Highly predictive and interpretable models for PAMPA permeability.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1645848NCATS Kinetic Aqueous Solubility Profiling2019Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14
ISSN: 1464-3391		Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1508591NCATS Rat Liver Microsome Stability Profiling2020Scientific reports, 11-26, Volume: 10, Issue:1
ISSN: 2045-2322		Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.

Research

Studies (175)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's49 (28.00)24.3611
2020's126 (72.00)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews10 (5.68%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other166 (94.32%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
kynurenine
0
aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline		human metabolite00low000000
3-aminobenzamide
0
benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor00low000000
alminoprofen
0
amino 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		00low000000
amfenac
0
amino acid;
benzophenones;
oxo monocarboxylic acid;
primary amino compound;
substituted aniline		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
aminoglutethimide
0
dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		00low000000
benefin
0
C-nitro compound;
organofluorine compound;
substituted aniline;
tertiary amino compound		agrochemical;
herbicide		00low000000
benzocaine
0
benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic		00low000000
bromhexine
0
organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic00low000000
butamben
0
amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic00low000000
ci 994
0
acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
clenbuterol
0
amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		00low000000
dapsone
0
substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug		00low000000
metoclopramide
0
benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic		00low000000
entinostat
0
benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		00low000000
nemonapride
0
benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline		00low000000
benoxinate
0
amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound		drug allergen;
local anaesthetic;
topical anaesthetic		00low000000
pd168393
0
acrylamides;
bromobenzenes;
quinazolines;
secondary carboxamide;
substituted aniline		epidermal growth factor receptor antagonist00low000000
procaine
0
benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug		00low000000
sulfadiazine
0
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
sulfacetamide
0
N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		00low000000
sulfadimethoxine
0
aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic		00low000000
sulfamethoxazole
0
isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic		00low000000
sulfanilamide
0
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		00low000000
sulfaphenazole
0
primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor		00low000000
sulfapyridine
0
pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic		00low000000
sulfathiazole
0
1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic		00low000000
trifluralin
0
(trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide;
xenobiotic		00low000000
phentolamine
0
imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent		00low000000
methyl n-methylanthranilate
0
benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline		animal metabolite;
fungal metabolite;
plant metabolite		00low000000
2,4,6-trimethylaniline
0
substituted aniline00low000000
anthranilamide
0
substituted aniline00low000000
2-anisidine
0
monomethoxybenzene;
primary amino compound;
substituted aniline		genotoxin;
reagent		00low000000
3,3'-diaminobenzidine
0
biphenyls;
substituted aniline		histological dye00low000000
benzidine
0
biphenyls;
substituted aniline		carcinogenic agent00low000000
phenetidine
0
aromatic ether;
substituted aniline		00low000000
5-nitro-2-methoxyaniline
0
4-nitroanisoles;
substituted aniline		00low000000
dimethyl-4-phenylenediamine
0
diamine;
substituted aniline		00low000000
4-(dimethylamino)benzaldehyde
0
benzaldehydes;
substituted aniline;
tertiary amino compound		chromogenic compound00low000000
3-hydroxydiphenylamine
0
substituted aniline00low000000
benzonatate
0
benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive		00low000000
4-anisidine
0
methoxybenzenes;
primary amino compound;
substituted aniline		genotoxin;
reagent		00low000000
2-aminothiophenol
0
aryl thiol;
substituted aniline		plant metabolite00low000000
2,4,5-trimethylaniline
0
substituted aniline00low000000
4,4'-thiodianiline
0
substituted aniline00low000000
anileridine
0
ethyl ester;
piperidinecarboxylate ester;
substituted aniline		opioid analgesic;
opioid receptor agonist		00low000000
phenetidine
0
aromatic ether;
primary amino compound;
substituted aniline		drug metabolite00low000000
4-trifluoromethylaniline
0
(trifluoromethyl)benzenes;
substituted aniline		metabolite00low000000
3-anisidine
0
aromatic ether;
substituted aniline		00low000000
oxophenarsine
0
substituted aniline00low000000
c.i. solvent yellow 56
0
azobenzenes;
substituted aniline;
tertiary amino compound		dye;
mutagen		00low000000
asulam
0
carbamate ester;
primary amino compound;
substituted aniline;
sulfonamide		agrochemical;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic		00low000000
st 91
0
substituted aniline00low000000
4-hexyloxyaniline
0
aromatic ether;
substituted aniline		00low000000
pendimethalin
0
C-nitro compound;
secondary amino compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide		00low000000
bromfenac
0
aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
sulfametrole
0
aromatic ether;
substituted aniline;
sulfonamide antibiotic;
thiadiazoles		00low000000
sulfaperine
0
pyrimidines;
substituted aniline;
sulfonamide antibiotic		antibacterial drug00low000000
2-(1H-benzimidazol-2-yl)aniline
0
benzimidazoles;
primary arylamine;
substituted aniline		geroprotector00low000000
aclonifen
0
aromatic ether;
C-nitro compound;
monochlorobenzenes;
primary amino compound;
substituted aniline		agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		00low000000
mosapride
0
aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound		00low000000
ezogabine
0
carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline		anticonvulsant;
potassium channel modulator		00low000000
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine
0
(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline		geroprotector;
serotonergic agonist		00low000000
4-aminophenyl alpha-d-mannopyranoside
0
alpha-D-mannoside;
substituted aniline		00low000000
aminopotentidine
0
aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline		H2-receptor antagonist00low000000
4-aminobenzoylglutamic acid
0
dicarboxylic acid;
dipeptide;
N-acyl-L-alpha-amino acid;
substituted aniline		00low000000
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline
0
aromatic ether;
substituted aniline		00low000000
6-(2-chloroanilino)-4-oxo-2-(4-pyridyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
0
substituted aniline00low000000
N2-phenyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
0
substituted aniline00low000000
gant 61
0
aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor		00low000000
3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone
0
substituted aniline00low000000
cgp 60474
0
substituted aniline00low000000
4,4-dimethyl-N2-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine
0
substituted aniline00low000000
brd32048
0
methoxybenzenes;
substituted aniline		00low000000
stf 62247
0
substituted aniline00low000000
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine
0
aromatic amine;
monofluorobenzenes;
pyridines;
quinazolines;
secondary amino compound;
substituted aniline		00low000000
4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazolimine
0
methoxybenzenes;
substituted aniline		00low000000
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
0
methoxybenzenes;
substituted aniline		00low000000
6-anilino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
0
substituted aniline00low000000
3-(2-Methyl-1,3-thiazol-4-yl)aniline
0
substituted aniline00low000000
N-phenyl-4-pyridin-4-yl-2-thiazolamine
0
substituted aniline00low000000
4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenol
0
substituted aniline00low000000
1-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea
0
methoxybenzenes;
substituted aniline		00low000000
1-(4-methoxyphenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea
0
methoxybenzenes;
substituted aniline		00low000000
N2,N4-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
0
methoxybenzenes;
substituted aniline		00low000000
N4-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
0
methoxybenzenes;
substituted aniline		00low000000
4-mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
0
methoxybenzenes;
substituted aniline		00low000000
4-[2-(3-methoxyanilino)-4-thiazolyl]phenol
0
methoxybenzenes;
substituted aniline		00low000000
2-(4-methylanilino)-4-pyrido[3,2-e][1,3]thiazinone
0
substituted aniline00low000000
N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
0
methoxybenzenes;
substituted aniline		00low000000
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
0
methoxybenzenes;
substituted aniline		00low000000
N-(4-fluorophenyl)-4-(3-pyridinyl)-2-thiazolamine
0
substituted aniline00low000000
3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
0
methoxybenzenes;
substituted aniline		00low000000
3-(4-methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one
0
methoxybenzenes;
substituted aniline		00low000000
7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile
0
substituted aniline00low000000
4,6-bis(1-imidazolyl)-N,N-diphenyl-1,3,5-triazin-2-amine
0
substituted aniline00low000000
1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea
0
methoxybenzenes;
substituted aniline		00low000000
N-(5-chloro-2-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
0
methoxybenzenes;
substituted aniline		00low000000
1-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea
0
methoxybenzenes;
substituted aniline		00low000000
N-(4-chlorophenyl)-4-methyl-2-thiazolamine
0
substituted aniline00low000000
N4-(2-methoxyphenyl)benzene-1,4-diamine
0
aromatic ether;
substituted aniline		00low000000
N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide
0
acetamide;
aromatic amine;
quinazolines;
secondary amino compound;
substituted aniline		00low000000
1-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone
0
methoxybenzenes;
substituted aniline		00low000000
5-anilino-3-oxo-4-isothiazolecarbonitrile
0
substituted aniline00low000000
5-(4-chloroanilino)-3-oxo-4-isothiazolecarbonitrile
0
substituted aniline00low000000
5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile
0
substituted aniline00low000000
N-(2-chlorophenyl)-4-(1-pyrrolyl)-1,3,5-triazin-2-amine
0
substituted aniline00low000000
1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea
0
methoxybenzenes;
substituted aniline		00low000000
5-(4-methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile
0
methoxybenzenes;
substituted aniline		00low000000
sulfathiourea
0
substituted aniline;
sulfonamide antibiotic;
thioureas		antibacterial drug;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		00low000000
u 0126
0
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		00low000000
2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
0
methoxybenzenes;
substituted aniline		00low000000
N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
0
methoxybenzenes;
substituted aniline		00low000000
1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea
0
methoxybenzenes;
substituted aniline		00low000000
sb 415286
0
C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol
0
methoxybenzenes;
substituted aniline		00low000000
N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide
0
acetamide;
aromatic amine;
monofluorobenzenes;
quinazolines;
secondary amino compound;
substituted aniline		00low000000
1-amino-3-(4-chloro-2-methoxy-5-methylphenyl)thiourea
0
methoxybenzenes;
substituted aniline		00low000000
5-(3-chloroanilino)-3H-1,3,4-thiadiazole-2-thione
0
substituted aniline00low000000
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
0
aromatic ether;
substituted aniline		00low000000
1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone
0
methoxybenzenes;
substituted aniline		00low000000
bibx 1382bs
0
substituted aniline00low000000
mocetinostat
0
aminopyrimidine;
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		00low000000
solabegron
0
carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline		beta-adrenergic agonist00low000000
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
0
methoxybenzenes;
substituted aniline		00low000000
cardiogenol c
0
methoxybenzenes;
substituted aniline		00low000000
bay94 9172
0
(18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline		radioactive imaging agent00low000000
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
0
methoxybenzenes;
substituted aniline		00low000000
N-[5-[2-(5-chloro-2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]hexanamide
0
methoxybenzenes;
substituted aniline		00low000000
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide
0
methoxybenzenes;
substituted aniline		00low000000
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
0
methoxybenzenes;
substituted aniline		00low000000
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]pentanamide
0
methoxybenzenes;
substituted aniline		00low000000
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
0
methoxybenzenes;
substituted aniline		00low000000
zm323881
0
aromatic ether;
benzyl ether;
fluorophenol;
halophenol;
monofluorobenzenes;
organic cation;
quinazolines;
secondary amino compound;
substituted aniline		vascular endothelial growth factor receptor antagonist00low000000
jsh 23
0
diamine;
substituted aniline		NF-kappaB inhibitor00low000000
2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
methoxybenzenes;
substituted aniline		00low000000
2-[[4-(2-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
methoxybenzenes;
substituted aniline		00low000000
2-[[4-(3-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
methoxybenzenes;
substituted aniline		00low000000
2-[[4-(4-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
0
methoxybenzenes;
substituted aniline		00low000000
4-[[4-(2-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]-1-butanol
0
methoxybenzenes;
substituted aniline		00low000000
florbetapir f 18
0
(18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline		radioactive imaging agent00low000000
(5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
0
substituted aniline00low000000
SL-327
0
(trifluoromethyl)benzenes;
enamine;
nitrile;
organic sulfide;
primary amino compound;
substituted aniline		EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor;
neuroprotective agent		00low000000
GRL-0617
0
benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline		anticoronaviral agent;
protease inhibitor		00low000000
poziotinib
0
acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline		antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist		00low000000
GDC-0623
0
hydroxamic 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		00low000000
ML355
0
benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor		00low000000
osimertinib
0
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		00low000000
((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one)
0
benzodioxoles;
imidazolone;
substituted aniline		autophagy inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.12.1 (dual-specificity kinase) inhibitor;
neuroprotective agent;
nootropic agent		00low000000
1-(3-methoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine
0
methoxybenzenes;
substituted aniline		00low000000
2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one
0
substituted aniline00low000000
amlodipine
0
dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent		00low000000
clofibrate
0
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		00low000000
etazolate
0
ethyl ester;
hydrazone;
pyrazolopyridine		alpha-secretase activator;
antidepressant;
antipsychotic agent;
anxiolytic drug;
GABA agent;
neuroprotective agent;
phosphodiesterase IV inhibitor		00low000000
felodipine
0
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		00low000000
flumazenil
0
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		00low000000
loratadine
0
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		00low000000
malathion
0
diester;
ethyl ester;
organic thiophosphate		00low000000
meperidine
0
ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic		00low000000
molsidomine
0
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		00low000000
nitrendipine
0
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		00low000000
tazarotene
0
acetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane		keratolytic drug;
prodrug;
teratogenic agent		00low000000
diethyl phthalate
0
diester;
ethyl ester;
phthalate ester		neurotoxin;
plasticiser;
teratogenic agent		00low000000
ethyl benzoate
0
benzoate ester;
ethyl ester		flavouring agent;
fragrance;
volatile oil component		00low000000
ethyl lactate
0
ethyl ester;
lactate ester;
secondary alcohol		metabolite00low000000
ethyl formate
0
ethyl ester;
formate ester		fumigant;
plant metabolite		00low000000
ethyl-p-hydroxybenzoate
0
ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite		00low000000
ethyl acetate
0
acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite		00low000000
ethyl acetoacetate
0
ethyl esterantibacterial agent;
flavouring agent;
plant metabolite		00low000000
ethyl propiolate
0
ethyl ester;
terminal acetylenic compound;
ynoate ester		00low000000
dicarbethoxydihydrocollidine
0
dihydropyridine;
ethyl ester		hepatic steatosis inducing agent00low000000
ethyl mandelate
0
ethyl ester;
secondary alcohol		00low000000
ethyl n-alpha-acetyl-tyrosinate
0
acetamides;
ethyl ester;
L-tyrosine derivative;
phenols		00low000000
diphenoxylate
0
ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine		antidiarrhoeal drug00low000000
malaoxon
0
diester;
ethyl ester;
organic thiophosphate		00low000000
phenthoate, (+-)-isomer
0
ethyl ester;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		00low000000
ethyl 4-dimethylaminobenzoate
0
benzoate ester;
ethyl ester;
tertiary amino compound		00low000000
pyrazophos
0
ethyl ester;
organic thiophosphate;
pyrazolopyrimidine		antifungal agrochemical;
insecticide;
phospholipid biosynthesis inhibitor;
profungicide		00low000000
dichlozolinate
0
dicarboximide;
dichlorobenzene;
ethyl ester;
oxazolidinone		00low000000
quizalofop-ethyl
0
aromatic ether;
ethyl ester;
organochlorine compound;
quinoxaline derivative		00low000000
benfuracarb
0
1-benzofurans;
carbamate ester;
ethyl ester		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		00low000000
quinapril
0
dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
chlorimuron ethyl
0
aromatic ether;
ethyl ester;
N-sulfonylurea;
organochlorine pesticide;
pyrimidines;
sulfamoylbenzoate		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide		00low000000
cilazapril, anhydrous
0
dicarboxylic acid monoester;
ethyl ester;
pyridazinodiazepine		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
3-carbethoxypsoralen
0
ethyl ester;
psoralens		00low000000
aloxistatin
0
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		00low000000
ethyl tyrosine ester
0
ethyl ester;
L-tyrosyl ester		00low000000
coumarin 314
0
7-aminocoumarins;
ethyl ester		fluorochrome00low000000
monoethyl phthalate
0
ethyl ester;
phthalic acid monoester		metabolite00low000000
benzoyltyrosine ethyl ester
0
benzamides;
ethyl ester;
L-tyrosine derivative;
phenols		chromogenic compound00low000000
ethyl protocatechuate
0
catechols;
ethyl ester		antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite		00low000000
carfentrazone-ethyl
0
ethyl esterproherbicide00low000000
ethyl-3-(n-n-butyl-n-acetyl)aminopropionate
0
acetamides;
ethyl ester;
tertiary carboxamide		00low000000
perindopril
0
alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		00low000000
erythromycin ethylsuccinate
0
cyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester		00low000000
ethyl cinnamate
0
alkyl cinnamate;
ethyl ester		00low000000
etomidate
0
ethyl ester;
imidazoles		intravenous anaesthetic;
sedative		00low000000
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
0
ethyl ester;
monochlorobenzenes;
organofluorine compound;
pyrazoles;
sulfonamide		00low000000
nemadipine-a
0
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
pentafluorobenzenes		calcium channel blocker00low000000
monastrol
0
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor		00low000000
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
0
ethyl ester;
pyrroles;
tertiary carboxamide		00low000000
diethyl maleate
0
ethyl ester;
maleate ester		glutathione depleting agent00low000000
etretinate
0
enoate ester;
ethyl ester;
retinoid		keratolytic drug00low000000
spirapril
0
azaspiro 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		00low000000
ethyl caffeate
0
alkyl caffeate ester;
ethyl ester;
hydroxycinnamic acid		anti-inflammatory agent;
antineoplastic agent;
metabolite		00low000000
molsidomine
0
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		00low000000
benazepril
0
benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
ramipril
0
azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug		00low000000
zr-512
0
ethyl ester;
farnesane sesquiterpenoid		juvenile hormone mimic00low000000
imidapril
0
dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		00low000000
ximelagatran
0
amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor		00low000000
trandolapril
0
dicarboxylic 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		00low000000
cinidon-ethyl
0
ethyl ester;
isoindoles;
monochlorobenzenes		herbicide00low000000
lamotrigine
0
1,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic		00low000000
aniline
0
anilines;
primary arylamine		00low000000
2,6-xylidine
0
dimethylaniline;
primary arylamine		carcinogenic agent;
drug metabolite		00low000000
3,4-xylidine
0
dimethylaniline;
primary arylamine		00low000000
2,4-xylidine
0
dimethylaniline;
primary arylamine		00low000000
2,5-xylidene
0
dimethylaniline;
primary arylamine		00low000000
2-fluoroaniline
0
fluoroaniline;
primary arylamine		00low000000
4-fluoroaniline
0
fluoroaniline;
primary arylamine		00low000000
3-fluoroaniline
0
fluoroaniline;
primary arylamine		00low000000
disperse orange 3
0
azobenzenes;
primary arylamine		allergen;
dye		00low000000
amezinium
0
aromatic ether;
primary arylamine;
pyridazinium ion		adrenergic uptake inhibitor;
antihypotensive agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
sympathomimetic agent		00low000000
pd 166866
0
biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
2,2'-dipyridyl
0
bipyridinechelator;
ferroptosis inhibitor		00low000000
aa 861
0
1,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor		00low000000
deferoxamine
0
acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore		00low000000
ebselen
0
benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger		00low000000
idebenone
0
1,4-benzoquinones;
primary alcohol		antioxidant;
ferroptosis inhibitor		00low000000
masoprocol
0
catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite		00low000000
pioglitazone
0
aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic		00low000000
troglitazone
0
chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
cycloheximide
0
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		00low000000
phenothiazine
0
phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger		00low000000
diphenylamine
0
aromatic 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		00low000000
acetylcysteine
0
acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary		00low000000
ammonium chloride
0
ammonium salt;
inorganic chloride		ferroptosis inhibitor00low000000
butylated hydroxytoluene
0
phenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector		00low000000
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
0
chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor		00low000000
zileuton
0
1-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug		00low000000
desferrioxamine b mesylate
0
methanesulfonate saltantidote;
ferroptosis inhibitor;
iron chelator		00low000000
baicalin
0
dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug		00low000000
phenoxazine
0
phenoxazineferroptosis inhibitor;
radical scavenger		00low000000
rosiglitazone
0
aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug		00low000000
pd 146176
0
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		antiatherogenic agent;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
ferroptosis inhibitor		00low000000
tempo
0
aminoxyls;
piperidines		catalyst;
ferroptosis inhibitor;
radical scavenger		00low000000
beta carotene
0
carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A		00low000000
baicalein
0
trihydroxyflavoneangiogenesis 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		00low000000
coenzyme q10
0
ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite		00low000000
tocotrienol, alpha
0
tocotrienol;
vitamin E		ferroptosis inhibitor;
human metabolite;
neuroprotective agent;
plant metabolite		00low000000
bafilomycin a1
0
cyclic hemiketal;
macrolide antibiotic;
oxanes		apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin		00low000000
liproxstatin-1
0
azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound		antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger		00low000000
succinic acid
0
alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid		anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent		00low000000
5-methoxytryptamine
0
aromatic ether;
primary amino compound;
tryptamines		5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist		00low000000
amifostine anhydrous
0
diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent		00low000000
cysteamine
0
amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent		00low000000
androstenediol
0
17beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid		androgen;
human metabolite;
mouse metabolite;
radiation protective agent		00low000000
zingerone
0
methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent		00low000000
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
0
gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger		00low000000
wr 1065
0
alkanethiol;
diamine		antioxidant;
drug metabolite;
radiation protective agent		00low000000
estramustine
0
17beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent		00low000000
tempace
0
aminoxyls;
piperidinecarboxamide;
secondary carboxamide		radiation protective agent;
radical scavenger		00low000000
gamma-tocotrienol
0
tocotrienol;
vitamin E		antineoplastic agent;
antioxidant;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
radiation protective agent		00low000000
tocotrienol, delta
0
tocotrienol;
vitamin E		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
NF-kappaB inhibitor;
plant metabolite;
radiation protective agent;
Saccharomyces cerevisiae metabolite		00low000000
16,16-dimethylprostaglandin e2
0
cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent		00low000000
benzyl alcohol
0
benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent		00low000000
gallic acid
0
trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite		00low000000
dihydrolipoic acid
0
thio-fatty acidantioxidant;
human metabolite;
neuroprotective agent		00low000000
hydrogen
0
elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite		00low000000
hydroquinone
0
benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent		00low000000
n-acetylserotonin
0
acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist		00low000000
niacinamide
0
pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor		00low000000
pqq cofactor
0
orthoquinones;
pyrroloquinoline cofactor;
tricarboxylic acid		anti-inflammatory agent;
antioxidant;
cofactor;
water-soluble vitamin (role)		00low000000
putrescine
0
alkane-alpha,omega-diamineantioxidant;
fundamental metabolite		00low000000
spermine
0
polyazaalkane;
tetramine		antioxidant;
fundamental metabolite;
immunosuppressive agent		00low000000
taurine
0
amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite		00low000000
vanillin
0
benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite		00low000000
isopentenyl pyrophosphate
0
prenol phosphateantigen;
antioxidant;
epitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen		00low000000
7,8-dihydroxyflavone
0
dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist		00low000000
benphothiamine
0
aminopyrimidine;
formamides;
organic phosphate;
thioester		antioxidant;
immunological adjuvant;
nutraceutical;
protective agent;
provitamin B1		00low000000
berberine
0
alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound		antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker		00low000000
caffeic acid
0
catechols;
hydroxycinnamic acid		antioxidant;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite		00low000000
carcinine
0
beta-alanine derivative;
imidazoles;
monocarboxylic acid amide;
organonitrogen compound;
organooxygen compound		antioxidant;
crustacean metabolite		00low000000
edaravone
0
pyrazoloneantioxidant;
radical scavenger		00low000000
molsidomine
0
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		00low000000
probucol
0
dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug		00low000000
resveratrol
0
polyphenol;
resorcinols;
stilbenol		antioxidant;
geroprotector;
glioma-associated oncogene inhibitor;
phytoalexin		00low000000
sulforaphane
0
isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite		00low000000
2,2'-thiodiethanol
0
aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent		00low000000
zonisamide
0
1,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker		00low000000
phlorhizin
0
aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite		00low000000
methylene blue
0
organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer		00low000000
medroxyprogesterone acetate
0
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive		00low000000
n,n'-diphenyl-4-phenylenediamine
0
N-substituted diamine;
secondary amino compound		antioxidant00low000000
2,4-di-tert-butylphenol
0
alkylbenzene;
phenols		antioxidant;
bacterial metabolite;
marine metabolite		00low000000
lactobionic acid
0
disaccharideantioxidant00low000000
methyl gallate
0
gallate esteranti-inflammatory agent;
antioxidant;
plant metabolite		00low000000
gamma-terpinene
0
cyclohexadiene;
monoterpene		antioxidant;
human xenobiotic metabolite;
plant metabolite;
volatile oil component		00low000000
n-isopropyl-n-phenyl-4-phenylenediamine
0
N-substituted diamineallergen;
antioxidant		00low000000
3-tert-butyl-4-hydroxyanisole
0
aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite		00low000000
ethyl vanillin
0
aromatic ether;
benzaldehydes;
phenols		antioxidant;
flavouring agent		00low000000
catechin
0
catechinantioxidant;
plant metabolite		00low000000
triethylenediamine
0
bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound		antioxidant;
catalyst;
reagent		00low000000
thiazolidine-4-carboxylic acid
0
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
sulfur-containing amino acid;
thiazolidinemonocarboxylic acid		antidote;
antioxidant;
hepatoprotective agent		00low000000
4-methylcatechol
0
methylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite		00low000000
thymoquinone
0
1,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite		00low000000
4-hydroxyphenylethanol
0
phenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent		00low000000
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
0
terpineol;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component		00low000000
dihydroferulic acid
0
guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite		00low000000
d-alpha tocopherol
0
alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite		00low000000
diallyl trisulfide
0
organic trisulfideanti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent		00low000000
methyl vanillate
0
aromatic ether;
benzoate ester;
phenols		antioxidant;
plant metabolite		00low000000
2,6-di-tert-butylphenol
0
alkylbenzene;
phenols		antioxidant00low000000
silybin
0
aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite		00low000000
oltipraz
0
1,2-dithiole;
pyrazines		angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug		00low000000
epigallocatechin gallate
0
flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite		00low000000
n-acetylaspartic acid
0
N-acetyl-L-amino acid;
N-acyl-L-aspartic acid		antioxidant;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite		00low000000
gallocatechol
0
gallocatechinantioxidant;
metabolite;
radical scavenger		00low000000
salvin
0
abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite		00low000000
7-hydroxydehydroepiandrosterone
0
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid;
androstanoid		anti-inflammatory agent;
antioxidant;
estrogen;
human xenobiotic metabolite;
rat metabolite		00low000000
pinocembrin
0
(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent		00low000000
epicatechin
0
catechin;
polyphenol		antioxidant00low000000
gallocatechol
0
catechin;
flavan-3,3',4',5,5',7-hexol		antioxidant;
food component;
plant metabolite		00low000000
hesperetin
0
3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite		00low000000
vexibinol
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
tetrahydroxyflavanone		antimalarial;
antimicrobial agent;
antioxidant;
plant metabolite		00low000000
pinobanksin
0
secondary alpha-hydroxy ketone;
trihydroxyflavanone		antimutagen;
antioxidant;
metabolite		00low000000
brazilin
0
catechols;
organic heterotetracyclic compound;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite		00low000000
madecassic acid
0
monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite		00low000000
fangchinoline
0
aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite		00low000000
corilagin
0
ellagitannin;
gallate ester		antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
arjunolic acid
0
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		antibacterial agent;
antifungal agent;
antioxidant;
metabolite		00low000000
maslinic acid
0
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite		00low000000
ethyl protocatechuate
0
catechols;
ethyl ester		antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite		00low000000
decane-1,2-diol
0
glycol;
volatile organic compound		anti-inflammatory agent;
antioxidant;
human metabolite		00low000000
3,4-dihydroxyphenylethanol
0
catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite		00low000000
eriocitrin
0
3'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone		antioxidant00low000000
3,4-dihydroxymandelic acid
0
2-hydroxy monocarboxylic acid;
catechols		antioxidant;
drug metabolite;
human metabolite;
mouse metabolite		00low000000
sugiol
0
abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols		antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger		00low000000
sesaminol
0
benzodioxoles;
furofuran;
organic hydroxy compound		antioxidant;
plant metabolite		00low000000
cafestol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite		00low000000
kahweol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite		00low000000
celastrol
0
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		00low000000
procyanidin b2
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		antioxidant;
metabolite		00low000000
proanthocyanidin a2
0
hydroxyflavan;
proanthocyanidin		angiogenesis modulating agent;
anti-HIV agent;
antioxidant;
metabolite		00low000000
swertisin
0
dihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone;
monosaccharide derivative;
polyphenol		adenosine A1 receptor antagonist;
anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite		00low000000
rubiadin
0
dihydroxyanthraquinoneantibacterial agent;
antioxidant;
hepatoprotective agent;
plant metabolite		00low000000
cyanidin
0
5-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent		00low000000
ovothiol c
0
aryl thiol;
L-alpha-amino acid zwitterion;
L-histidine derivative		antioxidant;
marine metabolite;
radical scavenger		00low000000
ovothiol a
0
aryl thiol;
L-alpha-amino acid zwitterion;
L-histidine derivative;
non-proteinogenic L-alpha-amino acid		antioxidant;
marine metabolite;
radical scavenger		00low000000
2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman
0
benzopyranantioxidant00low000000
eckol
0
phlorotanninantioxidant;
metabolite		00low000000
procyanidin b3
0
biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
metabolite		00low000000
schizandrin b
0
aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin		anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite		00low000000
acrovestone
0
acetophenones;
aromatic ether;
olefinic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite		00low000000
4'-demethyldesoxypodophyllotoxin
0
furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols		antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite		00low000000
ampelopsin
0
dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite		00low000000
secoxyloganin
0
beta-D-glucoside;
dicarboxylic acid monoester;
enoate ester;
methyl ester;
monosaccharide derivative;
pyrans;
secoiridoid glycoside		anti-allergic agent;
antioxidant;
plant metabolite		00low000000
pectolinarin
0
dimethoxyflavone;
disaccharide derivative;
glycosyloxyflavone;
monohydroxyflavanone;
rutinoside		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite		00low000000
procyanidin C1
0
hydroxyflavan;
polyphenol;
proanthocyanidin		anti-inflammatory agent;
antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
lipoxygenase inhibitor;
metabolite		00low000000
2,5-dihydroxybenzyl alcohol
0
aromatic primary alcohol;
phenols		antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite		00low000000
sitosterol, (3beta)-isomer
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor		00low000000
erythritol
0
butane-1,2,3,4-tetrolantioxidant;
human metabolite;
plant metabolite		00low000000
methyl 3,4-dihydroxybenzoate
0
catechols;
methyl ester		antioxidant;
neuroprotective agent;
plant metabolite		00low000000
sorbinil
0
azaspiro compound;
chromanes;
imidazolidinone;
organofluorine compound;
oxaspiro compound		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor		00low000000
3,4-dihydroxyphenylpropionic acid
0
(dihydroxyphenyl)propanoic acidantioxidant;
human xenobiotic metabolite		00low000000
n-acetylneuraminic acid
0
N-acetylneuraminic acidsantioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite		00low000000
carnosine
0
amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent		00low000000
allose
0
allopyranose;
D-allose		antioxidant00low000000
peonidin
0
5-hydroxyanthocyanidinantineoplastic agent;
antioxidant;
apoptosis inducer;
metabolite		00low000000
ginsenoside re
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
nephroprotective agent;
neuroprotective agent;
plant metabolite		00low000000
notoginsenoside r1
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antioxidant;
apoptosis inducer;
neuroprotective agent;
phytoestrogen;
plant metabolite		00low000000
stevioside
0
beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent		00low000000
davidigenin
0
dihydrochalcones;
polyphenol		anti-allergic agent;
anti-asthmatic agent;
antioxidant;
metabolite		00low000000
genipin
0
iridoid monoterpenoidanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cross-linking reagent;
hepatotoxic agent;
uncoupling protein inhibitor		00low000000
isonaringin
0
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite		00low000000
knipholone
0
aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols		antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite		00low000000
alpha bitter acid
0
aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol		antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite		00low000000
solasodine
0
alkaloid antibiotic;
azaspiro compound;
hemiaminal ether;
oxaspiro compound;
sapogenin;
steroid alkaloid		anticonvulsant;
antifungal agent;
antiinfective agent;
antioxidant;
antipyretic;
antispermatogenic agent;
apoptosis inducer;
cardiotonic drug;
central nervous system depressant;
diuretic;
immunomodulator;
plant metabolite;
teratogenic agent		00low000000
petunidin-3-glucoside
0
anthocyanin cation;
aromatic ether;
beta-D-glucoside		antioxidant;
metabolite		00low000000
tretinoin
0
retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule		00low000000
equilenin
0
17-oxo steroid;
3-hydroxy steroid		antioxidant;
mammalian metabolite		00low000000
resveratrol
0
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		00low000000
oleic acid
0
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent		00low000000
ferulic acid
0
ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite		00low000000
lycopene
0
acyclic caroteneantioxidant;
plant metabolite		00low000000
pallidol
0
carbopolycyclic compound;
polyphenol;
stilbenoid		antifungal agent;
antioxidant;
plant metabolite		00low000000
riboflavin
0
flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite		00low000000
piperlactam s
0
alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite		00low000000
2-hydroxycinnamic acid
0
2-coumaric acid;
phenols		antioxidant;
metabolite		00low000000
beta-ionone
0
iononeantioxidant;
fragrance		00low000000
propylthiouracil
0
pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist		00low000000
isoferulic acid
0
ferulic acidsantioxidant;
biomarker;
metabolite		00low000000
aurapten
0
coumarins;
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		00low000000
thiourea
0
one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore		00low000000
u 0126
0
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		00low000000
sb 415286
0
C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
fraxetin
0
aromatic ether;
hydroxycoumarin		anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent		00low000000
quercetin 3-o-glucuronide
0
beta-D-glucosiduronic acid;
quercetin O-glycoside		antidepressant;
antioxidant;
metabolite		00low000000
quercetin
0
7-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger		00low000000
bilirubin
0
biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite		00low000000
sinapine
0
acylcholineantioxidant;
photosynthetic electron-transport chain inhibitor;
plant metabolite		00low000000
7,3'-dihydroxy-4'-methoxyisoflavone
0
4'-methoxyisoflavones;
7-hydroxyisoflavones		antioxidant;
metabolite		00low000000
quercitrin
0
alpha-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		00low000000
ubiquinone 9
0
ubiquinonesantioxidant;
human metabolite		00low000000
retinol palmitate
0
all-trans-retinyl ester;
retinyl palmitate		antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite		00low000000
luteolin-7-glucoside
0
beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite		00low000000
chrysoeriol
0
monomethoxyflavone;
trihydroxyflavone		antineoplastic agent;
antioxidant;
metabolite		00low000000
quercetin 3-o-glucopyranoside
0
beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite		00low000000
rutin
0
disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
zeaxanthin
0
carotenolantioxidant;
bacterial metabolite;
cofactor		00low000000
butein
0
chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor		00low000000
astaxanthine
0
carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite		00low000000
gardenia yellow
0
diester;
disaccharide derivative;
diterpenoid		antioxidant;
food colouring;
histological dye;
plant metabolite		00low000000
cryptoxanthins
0
carotenolantioxidant;
biomarker;
plant metabolite;
provitamin A		00low000000
esculetin
0
hydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter		00low000000
esculin
0
beta-D-glucoside;
hydroxycoumarin		antioxidant;
metabolite		00low000000
oleuropein
0
beta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside		anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger		00low000000
chrysin
0
7-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite		00low000000
diosmetin
0
3'-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		00low000000
diosmin
0
dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant		00low000000
fisetin
0
3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite		00low000000
demethylbellidifolin
0
tetrol;
xanthones		antioxidant;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
mutagen;
radical scavenger		00low000000
hispidulin
0
monomethoxyflavone;
trihydroxyflavone		anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite		00low000000
mangiferin
0
C-glycosyl compound;
xanthones		anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite		00low000000
mangostin
0
aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite		00low000000
1,2,8-trihydroxy-6-methoxyxanthone
0
aromatic ether;
polyphenol;
xanthones		antioxidant;
plant metabolite		00low000000
morin
0
7-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		00low000000
myricetin
0
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		00low000000
norwogonin
0
trihydroxyflavoneantioxidant;
metabolite		00low000000
orientin
0
3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
patuletin
0
flavonols;
monomethoxyflavone;
pentahydroxyflavone		analgesic;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
metabolite		00low000000
quercetagetin
0
flavonols;
hexahydroxyflavone		antioxidant;
antiviral agent;
plant metabolite		00low000000
rhamnetin
0
monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite		00low000000
robustaflavone
0
biflavonoid;
hydroxyflavone;
ring assembly		anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite		00low000000
tamarixetin
0
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
coumestrol
0
coumestans;
delta-lactone;
polyphenol		anti-inflammatory agent;
antioxidant;
plant metabolite		00low000000
astringin
0
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
metabolite		00low000000
polydatin
0
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator		00low000000
pterostilbene
0
diether;
methoxybenzenes;
stilbenol		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger		00low000000
caffeic acid phenethyl ester
0
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		00low000000
ellagic acid
0
catechols;
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		00low000000
quercimeritrin
0
beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antioxidant;
metabolite		00low000000
quercetin-3-o-sophoroside
0
sophoroside;
tetrahydroxyflavone		antioxidant;
plant metabolite		00low000000
menatetrenone
0
menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent		00low000000
nk 104
0
calcium salt;
statin (synthetic)		antioxidant00low000000
pitavastatin
0
cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant00low000000
fenretinide
0
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		00low000000
rosmarinic acid
0
carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor		00low000000
cannabigerol
0
phytocannabinoid;
resorcinols		anti-inflammatory agent;
antibacterial agent;
antioxidant;
appetite enhancer;
cannabinoid receptor agonist;
neuroprotective agent;
plant metabolite		00low000000
quadrangularin a
0
indanes;
polyphenol;
stilbenoid		antioxidant;
plant metabolite		00low000000
isosalipurposide
0
beta-D-glucoside;
chalcones;
monosaccharide derivative;
resorcinols		antioxidant;
plant metabolite		00low000000
icariin
0
flavonols;
glycosyloxyflavone		antioxidant;
bone density conservation agent;
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
phytoestrogen		00low000000
sappanchalcone
0
catechols;
chalcones;
monomethoxybenzene		anti-allergic agent;
anti-inflammatory agent;
antioxidant;
metabolite		00low000000
4-methylesculetin
0
hydroxycoumarinanti-inflammatory agent;
antioxidant;
hyaluronan synthesis inhibitor		00low000000
spiraeoside
0
beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
plant metabolite		00low000000
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside
0
beta-D-glucoside;
resorcinols;
stilbenoid		anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor		00low000000
ag-490
0
catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor		00low000000
ergothioneine
0
1,3-dihydroimidazole-2-thiones;
amino-acid betaine;
L-histidine derivative;
sulfur-containing amino acid		antioxidant;
chelator;
fungal metabolite;
plant metabolite;
xenobiotic metabolite		00low000000
molsidomine
0
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		00low000000
monomethyl fumarate
0
dicarboxylic acid monoester;
enoate ester;
methyl ester		antioxidant;
drug metabolite;
immunomodulator		00low000000
5,4'-dihydroxy-7,3'-dimethoxyflavone
0
dihydroxyflavone;
dimethoxyflavone		anti-allergic agent;
anti-inflammatory agent;
antibacterial agent;
antioxidant;
melanin synthesis inhibitor;
plant metabolite		00low000000
quercetin 3-sambubioside
0
disaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antioxidant;
plant metabolite		00low000000
germacrone
0
germacrane sesquiterpenoid;
olefinic compound		androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component		00low000000
meso-zeaxanthin
0
carotenolanti-inflammatory agent;
antioxidant;
human xenobiotic metabolite;
marine metabolite		00low000000
salvianolic acid B
0
1-benzofurans;
catechols;
dicarboxylic acid;
enoate ester;
polyphenol		anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
autophagy inhibitor;
cardioprotective agent;
hepatoprotective agent;
hypoglycemic agent;
neuroprotective agent;
osteogenesis regulator;
plant metabolite		00low000000
trilobatin
0
aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		anti-inflammatory agent;
antioxidant;
plant metabolite;
sweetening agent		00low000000
capsiate
0
carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite		00low000000
tln 4601
0
dibenzodiazepine;
farnesane sesquiterpenoid;
olefinic compound;
secondary amine;
triol		antineoplastic agent;
antioxidant;
cathepsin L (EC 3.4.22.15) inhibitor		00low000000
arachidonoylserotonin
0
N-acylserotonin;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
capsaicin receptor antagonist;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
human metabolite;
signalling molecule		00low000000
nigerloxin
0
aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes		antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger		00low000000
7-phloroeckol
0
aromatic ether;
phlorotannin		antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite		00low000000
aspalathin
0
C-glycosyl compound;
catechols;
dihydrochalcones;
polyketide;
polyphenol		antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
hypoglycemic agent;
plant metabolite		00low000000
glyceryl ferulate
0
1-monoglyceride;
aromatic ether;
enoate ester;
phenols		antioxidant;
plant metabolite;
ultraviolet filter		00low000000
(+)-dehydrodiconiferyl alcohol
0
dehydrodiconiferyl alcoholantioxidant;
plant metabolite		00low000000
ginsenoside rb3
0
12beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		antidepressant;
antioxidant;
cardioprotective agent;
neuroprotective agent;
NMDA receptor antagonist;
plant metabolite		00low000000
astragaloside IV
0
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
antioxidant;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
neuroprotective agent;
plant metabolite;
pro-angiogenic agent		00low000000
1-O-feruloyl-beta-D-glucose
0
aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols		antioxidant;
plant metabolite		00low000000
alx-0600
0
polypeptideantioxidant;
glucagon-like peptide-2 receptor agonist;
metabolite;
protective agent		00low000000
pyranonigrin a
0
cyclic ketone;
enol;
gamma-lactam;
pyranopyrrole;
secondary alcohol		antioxidant;
Aspergillus metabolite;
marine metabolite		00low000000
madecassoside
0
carboxylic ester;
pentacyclic triterpenoid;
trisaccharide derivative;
triterpenoid saponin		anti-inflammatory agent;
antioxidant;
antirheumatic drug;
plant metabolite;
vulnerary		00low000000
bacillithiol
0
glycoside;
monosaccharide derivative;
thiol		antioxidant;
bacterial metabolite;
cofactor		00low000000
kurarinol
0
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		anti-inflammatory agent;
antioxidant;
plant metabolite		00low000000
(20R)-ginsenoside Rg3
0
ginsenoside;
glycoside;
tetracyclic triterpenoid		antioxidant;
plant metabolite		00low000000
hispidin
0
2-pyranones;
catechols		antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite		00low000000
oleuropein aglycone
0
catechols;
diester;
lactol;
methyl ester;
pyrans;
secoiridoid		anti-inflammatory agent;
antioxidant;
mTOR inhibitor;
neuroprotective agent;
plant metabolite;
TRPA1 channel agonist		00low000000
staphyloxanthin
0
apo carotenoid triterpenoid;
D-aldohexose derivative;
fatty acid ester;
triol;
xanthophyll		antioxidant;
biological pigment;
metabolite;
virulence factor		00low000000
6-hydroxy-2,4,5-triaminopyrimidine
0
aminopyrimidine;
hydroxypyrimidine		antioxidant;
chromophore		00low000000
dimethyl sulfoxide
0
sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger		00low000000
melatonin
0
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		00low000000
bendazac
0
indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger		00low000000
gliclazide
0
N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger		00low000000
hydroxyurea
0
one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent		00low000000
ibuprofen
0
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		00low000000
potassium iodide
0
potassium saltexpectorant;
radical scavenger		00low000000
propofol
0
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		00low000000
anthrone
0
anthracenoneradical scavenger00low000000
deanol
0
ethanolamines;
tertiary amine		curing agent;
radical scavenger		00low000000
2-naphthol
0
naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger		00low000000
pyrrolidine dithiocarbamate
0
dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger		00low000000
sigmoidin a
0
4'-hydroxyflavanones;
tetrahydroxyflavanone		anti-inflammatory agent;
anti-obesity agent;
antibacterial agent;
metabolite;
radical scavenger		00low000000
proxyl nitroxide
0
aminoxyls;
pyrrolidines		radical scavenger00low000000
homoorientin
0
flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger		00low000000
astilbin
0
3'-hydroxyflavanones;
4'-hydroxyflavanones;
alpha-L-rhamnoside;
flavanone glycoside;
monosaccharide derivative;
tetrahydroxyflavanone		anti-inflammatory agent;
plant metabolite;
radical scavenger		00low000000
pramipexole
0
benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger		00low000000
6,6'-bieckol
0
aromatic ether;
oxacycle;
phlorotannin		anti-HIV-1 agent;
metabolite;
radical scavenger		00low000000
tempol
0
aminoxyls;
hydroxypiperidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger		00low000000
matteucinol
0
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite;
radical scavenger		00low000000
2',6'-dihydroxy-4'-methoxydihydrochalcone
0
dihydrochalcones;
monomethoxybenzene;
polyphenol		antiplasmodial drug;
radical scavenger		00low000000
rosiglitazone
0
acetate ester;
coumarins;
diester		pro-angiogenic agent;
radical scavenger		00low000000
silychristin
0
1-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone		lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger		00low000000
triacetoneamine-n-oxyl
0
aminoxyls;
piperidones		radical scavenger00low000000
propolin c
0
4'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger		00low000000
curcumin
0
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		00low000000
4-maleimido-2,2,6,6-tetramethylpiperidinooxyl
0
aminoxyls;
dicarboximide;
maleimides;
piperidines		radical scavenger;
spin label		00low000000
n-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamide
0
aminoxyls;
organoiodine compound;
piperidinecarboxamide;
secondary carboxamide		radical scavenger;
spin label		00low000000
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole
0
benzoic acid;
imidazolines;
organic radical		apoptosis inhibitor;
radical scavenger		00low000000
dieckol
0
aromatic ether;
oxacycle;
phlorotannin		anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger		00low000000
tempo carboxylic acid
0
aminoxyls;
piperidinemonocarboxylic acid		MRI contrast agent;
radical scavenger;
spin label		00low000000
ladanein
0
dihydroxyflavone;
dimethoxyflavone		antiviral agent;
plant metabolite;
radical scavenger		00low000000
luteolin
0
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		00low000000
cupressuflavone
0
biflavonoid;
hydroxyflavone;
ring assembly		EC 3.4.21.37 (leukocyte elastase) inhibitor;
metabolite;
radical scavenger		00low000000
orobol
0
7-hydroxyisoflavonesanti-inflammatory agent;
fungal metabolite;
plant metabolite;
radical scavenger		00low000000
kaempferol-3-o-rutinoside
0
disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger		00low000000
methyl brevifolincarboxylate
0
cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent		00low000000
ginsenoside rb1
0
ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger		00low000000
kaempferol 7-o-glucoside
0
beta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger		00low000000
nymphaeol c
0
4'-hydroxyflavanones;
tetrahydroxyflavanone		metabolite;
radical scavenger		00low000000
eckstolonol
0
organic heteropentacyclic compound;
oxacycle;
phlorotannin		metabolite;
radical scavenger		00low000000
eriodictyol 7-O-beta-D-glucopyranoside
0
beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		plant metabolite;
radical scavenger		00low000000
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde
0
1-benzofurans;
aldehyde;
phenols		Aspergillus metabolite;
Chaetomium metabolite;
radical scavenger		00low000000
allopurinol
0
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		00low000000
3-phenylpropionic acid
0
benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite		00low000000
salicylic acid
0
monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite		00low000000
dihydroxyacetone
0
ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
1-octanol
0
octanol;
primary alcohol		antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite		00low000000
clioquinol
0
monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator		00low000000
dequalinium
0
quinolinium ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		00low000000
dichlorvos
0
alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide		anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor		00low000000
2-hexyloxybenzamide
0
aromatic ether;
benzamides		antifungal agent00low000000
gentian violet
0
iminium ionantibacterial agent;
antifungal agent		00low000000
heptachlor
0
cyclodiene organochlorine insecticideagrochemical;
antibacterial agent;
antifungal agent;
GABA-gated chloride channel antagonist;
persistent organic pollutant		00low000000
miltefosine
0
phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor		00low000000
beta-thujaplicin
0
cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite		00low000000
methyl parathion
0
C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin		00low000000
naled
0
dialkyl phosphate;
organobromine compound;
organochlorine compound;
organophosphate insecticide		acaricide;
agrochemical;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor		00low000000
oxolinic acid
0
aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor		00low000000
pentamidine
0
aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic		00low000000
gliotoxin
0
dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole		antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor		00low000000
acetopyrrothine
0
acetamides;
dithiolopyrrolone antibiotic		angiogenesis inhibitor;
antibacterial agent;
antifungal agent;
antineoplastic agent;
bacterial metabolite;
chelator;
EC 2.7.7.6 (RNA polymerase) inhibitor;
marine metabolite;
protein synthesis inhibitor;
toxin		00low000000
propylparaben
0
benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent		00low000000
piperonylic acid
0
aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid		antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary		00low000000
methylparaben
0
parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite		00low000000
citronellal
0
aldehyde;
monoterpenoid		antifungal agent;
metabolite		00low000000
acrylonitrile
0
aliphatic nitrile;
volatile organic compound		antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent		00low000000
propargyl alcohol
0
propynol;
terminal acetylenic compound;
volatile organic compound		antifungal agent;
Saccharomyces cerevisiae metabolite		00low000000
decanaldehyde
0
medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		antifungal agent;
fragrance;
plant metabolite		00low000000
undecanoic acid
0
medium-chain fatty acid;
straight-chain saturated fatty acid		antifungal agent;
human metabolite		00low000000
veratraldehyde
0
benzaldehydes;
dimethoxybenzene		antifungal agent00low000000
ethyl-p-hydroxybenzoate
0
ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite		00low000000
benzethonium chloride
0
aromatic ether;
chloride salt;
quaternary ammonium salt		antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant		00low000000
1-nonanol
0
nonanol;
primary alcohol		antifungal agent;
flavouring agent;
plant metabolite;
volatile oil component		00low000000
liriodenine
0
alkaloid antibiotic;
cyclic ketone;
organic heteropentacyclic compound;
oxacycle;
oxoaporphine alkaloid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
physcione
0
dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite		00low000000
dequalinium chloride
0
organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		00low000000
6-methoxybenzoxazolinone
0
aromatic ether;
benzoxazole		antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite		00low000000
gentian violet
0
organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye		00low000000
isovanillin
0
benzaldehydes;
monomethoxybenzene;
phenols		animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite		00low000000
2,5-dimethylfuran
0
furansantifungal agent;
bacterial metabolite;
fuel;
fumigant;
human urinary metabolite;
Maillard reaction product;
plant metabolite		00low000000
antimycin a
0
benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide		00low000000
2,4-diacetylphloroglucinol
0
aromatic ketone;
benzenetriol;
diketone;
methyl ketone		antifungal agent;
bacterial metabolite		00low000000
diallyl disulfide
0
organic disulfideantifungal agent;
antineoplastic agent;
plant metabolite		00low000000
nitroxoline
0
C-nitro compound;
monohydroxyquinoline		antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent		00low000000
usnic acid
0
dibenzofurans;
methyl ketone;
polyphenol		acaricide;
antifungal agent;
lichen metabolite		00low000000
tomatine
0
alkaloid antibiotic;
glycoalkaloid;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
immunological adjuvant;
phytotoxin		00low000000
isopentyl alcohol
0
alkyl alcohol;
primary alcohol;
volatile organic compound		antifungal agent;
Saccharomyces cerevisiae metabolite;
xenobiotic metabolite		00low000000
pyoluteorin
0
aromatic ketone;
beta-hydroxy ketone;
diol;
organochlorine compound;
organochlorine pesticide;
polyketide;
pyrroles;
resorcinols		antibacterial agent;
antifungal agent;
apoptosis inducer;
bacterial metabolite;
marine metabolite		00low000000
2-methyl-4-isothiazolin-3-one
0
1,2-thiazolesantifouling biocide;
antifungal agent;
antimicrobial agent		00low000000
mevastatin
0
2-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		00low000000
sinefungin
0
adenosines;
non-proteinogenic alpha-amino acid		antifungal agent;
antimicrobial agent		00low000000
3'-deoxyadenosine 5'-triphosphate
0
purine ribonucleoside 5'-triphosphateantifungal agent;
antimetabolite;
antineoplastic agent;
antiviral agent		00low000000
isoalantolactone
0
eudesmane sesquiterpenoid;
sesquiterpene lactone		antifungal agent;
apoptosis inducer;
plant metabolite		00low000000
5-hydroxybenzofuran-2-one
0
1-benzofurans;
aromatic alcohol		antifungal agent;
fungal metabolite		00low000000
1-phenazinecarboxylic acid
0
aromatic carboxylic acid;
monocarboxylic acid;
phenazines		antifungal agent;
antimicrobial agent;
bacterial metabolite		00low000000
dioscin
0
hexacyclic triterpenoid;
spiroketal;
spirostanyl glycoside;
trisaccharide derivative		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 1.14.18.1 (tyrosinase) inhibitor;
hepatoprotective agent;
metabolite		00low000000
dihydrosanguinarine
0
benzophenanthridine alkaloidantifungal agent;
metabolite		00low000000
hypothiocyanite ion
0
one-carbon compound;
sulfur oxoacid		antibacterial agent;
antifungal agent;
antiviral agent;
human metabolite;
oxidising agent;
rat metabolite		00low000000
cercosporamide
0
dibenzofurans;
methyl ketone;
monocarboxylic acid amide;
polyphenol		antifungal agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite;
phytotoxin		00low000000
actinodaphine
0
aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound		antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor		00low000000
capsidiol
0
eremophilane sesquiterpenoid;
octahydronaphthalenes;
sesquiterpene phytoalexin		antifungal agent;
plant metabolite		00low000000
sclareol
0
labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite		00low000000
albicanol
0
carbobicyclic compound;
homoallylic alcohol;
primary alcohol;
sesquiterpenoid		antifeedant;
antifungal agent;
antineoplastic agent;
fungal metabolite;
mammalian metabolite;
marine metabolite;
plant metabolite		00low000000
lariciresinol
0
aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol		antifungal agent;
plant metabolite		00low000000
sampangine
0
alkaloid;
organic heterotetracyclic compound		antifungal agent;
plant metabolite		00low000000
monensin
0
cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore		00low000000
lubimin
0
vetispirane sesquiterpenoidantifungal agent;
phytoalexin		00low000000
eugeniin
0
beta-D-glucoside;
ellagitannin;
gallate ester;
lactone		anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		00low000000
sodium arsenite
0
arsenic molecular entity;
inorganic sodium salt		antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide		00low000000
surfactin c
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
platelet aggregation inhibitor;
surfactant		00low000000
dioncophylline a
0
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthalenes		antifungal agent;
antimalarial;
metabolite;
molluscicide		00low000000
diethylstilbestrol
0
olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen		00low000000
nikkomycin
0
nikkomycinantifungal agent00low000000
azaserine
0
carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite		00low000000
sordaricin
0
3-oxo monocarboxylic acid;
aldehyde;
bridged compound;
primary alcohol;
tetracyclic diterpenoid		antifungal agent;
fungal metabolite		00low000000
pf 1163a
0
aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol		antifungal agent;
Penicillium metabolite		00low000000
pf 1163b
0
aromatic ether;
lactam;
macrolide antibiotic		antifungal agent;
Penicillium metabolite		00low000000
piperyline
0
benzodioxoles;
N-acylpyrrolidine;
pyrrolidine alkaloid;
tertiary carboxamide		antifungal agent;
apoptosis inducer;
plant metabolite		00low000000
cinnamaldehyde
0
3-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent		00low000000
beauvericin
0
cyclodepsipeptideantibiotic insecticide;
antifungal agent;
antineoplastic agent;
apoptosis inhibitor;
fungal metabolite;
ionophore;
mycotoxin;
P450 inhibitor		00low000000
decaprenoic acid
0
alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monoterpenoid;
polyunsaturated fatty acid		antifungal agent;
EC 1.14.18.1 (tyrosinase) inhibitor;
melanin synthesis inhibitor;
pheromone;
plant metabolite		00low000000
australifungin
0
carbobicyclic compound;
enol;
enone;
secondary alcohol		antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite		00low000000
coniferaldehyde
0
cinnamaldehydes;
guaiacols;
phenylpropanoid		antifungal agent;
plant metabolite		00low000000
sinapaldehyde
0
cinnamaldehydes;
dimethoxybenzene;
phenols		antifungal agent;
plant metabolite		00low000000
wighteone
0
7-hydroxyisoflavonesantifungal agent;
plant metabolite		00low000000
cerulenin
0
epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor		00low000000
l 683590
0
ether;
lactol;
macrolide;
secondary alcohol		antifungal agent;
bacterial metabolite;
immunosuppressive agent		00low000000
kaempferol-3-o-galactoside
0
beta-D-galactoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antifungal agent;
plant metabolite		00low000000
2-octenal
0
oct-2-enalantifungal agent;
volatile oil component		00low000000
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer
0
3beta-sterolanti-HSV-1 agent;
antifungal agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
metabolite		00low000000
cyclosporine
0
homodetic 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		00low000000
osthenol
0
hydroxycoumarinantifungal agent;
plant metabolite		00low000000
alternariol monomethyl ether
0
aromatic ether;
benzochromenone		antifungal agent;
fungal metabolite;
mycotoxin		00low000000
cystothiazole a
0
1,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic		antifungal agent;
antineoplastic agent;
bacterial metabolite		00low000000
monorden
0
cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor		00low000000
mucidin
0
enoate ester;
enol ether		antifungal agent;
fungal metabolite		00low000000
concanamycin a
0
carbamate ester;
concanamycin		antifungal agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
metabolite		00low000000
thermozymocidin
0
alpha-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		00low000000
asukamycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
strobilurin b
0
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
monochlorobenzenes;
monomethoxybenzene		antifungal agent;
fungal metabolite;
mitochondrial cytochrome-bc1 complex inhibitor		00low000000
elaiophylin
0
lactol;
macrodiolide;
monosaccharide derivative		antifungal agent;
autophagy inhibitor;
bacterial metabolite		00low000000
chaetoviridin a
0
azaphilone;
beta-hydroxy ketone;
enone;
gamma-lactone;
organic heterotricyclic compound;
organochlorine compound;
secondary alcohol		antifungal agent;
Chaetomium metabolite		00low000000
2',4',6'-trihydroxychalcone
0
chalconesantifungal agent;
plant metabolite		00low000000
aureothin
0
4-pyranones;
C-nitro compound;
ketene acetal;
olefinic compound;
oxolanes		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor		00low000000
ci 940
0
hydroxy polyunsaturated fatty acid;
leptomycin		antifungal agent;
bacterial metabolite		00low000000
altenusin
0
aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol		antifungal agent;
fungal metabolite		00low000000
jasplakinolide
0
cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent		00low000000
hypothemycin
0
aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone		antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite		00low000000
tolfenpyrad
0
aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide		agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor		00low000000
fr 900848
0
cyclopropanes;
nucleoside analogue;
olefinic compound;
polyketide;
secondary carboxamide		antifungal agent;
bacterial metabolite		00low000000
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside
0
beta-D-glucoside;
dimethoxybenzene;
lignan;
monosaccharide derivative;
polyphenol;
primary alcohol;
tetralins		antibacterial agent;
antifungal agent;
metabolite		00low000000
sporothriolide
0
furofuran;
gamma-lactone		antifungal agent;
fungal metabolite		00low000000
ascochlorin
0
cyclohexanones;
dihydroxybenzaldehyde;
meroterpenoid;
monochlorobenzenes;
olefinic compound;
resorcinols;
sesquiterpenoid		angiogenesis inhibitor;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
fungal metabolite		00low000000
tavaborole
0
benzoxaborole;
organofluorine compound		antifungal agent;
EC 6.1.1.4 (leucine--tRNA ligase) inhibitor;
protein synthesis inhibitor		00low000000
methylamphotericin b
0
macrolide;
methyl ester;
monosaccharide derivative		antifungal agent;
antiinfective agent;
metabolite		00low000000
bromophycolide a
0
diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite		00low000000
borrelidin
0
aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite		00low000000
6-tuliposide b
0
6-O-acyl-D-glucose;
enoate ester		antibacterial agent;
antifungal agent;
plant metabolite		00low000000
enfumafungin
0
lactol;
monosaccharide derivative;
triterpenoid saponin		antifungal agent00low000000
zwittermicin a
0
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide;
peptide antibiotic		antifungal agent;
bacterial metabolite		00low000000
callipeltin a
0
cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols		anti-HIV-1 agent;
antifungal agent;
metabolite		00low000000
surfactin A
0
cyclodepsipeptide;
lipopeptide antibiotic;
macrocyclic lactone		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
metabolite;
surfactant		00low000000
phleomycin d1
0
bi-1,3-thiazole;
chelate-forming peptide;
disaccharide derivative;
glycopeptide;
guanidines		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
dehydrotomatine
0
alkaloid antibiotic;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
phytotoxin;
plant metabolite		00low000000
creatine
0
glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical		00low000000
5,5-dimethyl-1-pyrroline-1-oxide
0
1-pyrroline nitronesneuroprotective agent;
spin trapping reagent		00low000000
ethylisopropylamiloride
0
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker		00low000000
7-chlorokynurenic acid
0
organochlorine compound;
quinolinemonocarboxylic acid		neuroprotective agent;
NMDA receptor antagonist		00low000000
cilostazol
0
lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
dantrolene
0
hydrazone;
imidazolidine-2,4-dione		muscle relaxant;
neuroprotective agent;
ryanodine receptor antagonist		00low000000
valproic acid
0
branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent		00low000000
etazolate
0
ethyl ester;
hydrazone;
pyrazolopyridine		alpha-secretase activator;
antidepressant;
antipsychotic agent;
anxiolytic drug;
GABA agent;
neuroprotective agent;
phosphodiesterase IV inhibitor		00low000000
ethoxyquin
0
aromatic ether;
quinolines		antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator		00low000000
felbamate
0
carbamate esteranticonvulsant;
neuroprotective agent		00low000000
fasudil
0
isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent		00low000000
kynurenic acid
0
monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite		00low000000
memantine
0
adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist		00low000000
palmidrol
0
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent		00low000000
pj-34
0
phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent		00low000000
4-phenylbutyric acid, sodium salt
0
organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug		00low000000
methylprednisolone
0
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		00low000000
cytidine diphosphate choline
0
nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite		00low000000
tetramethylpyrazine
0
alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		00low000000
pn 401
0
acetate ester;
uridines		neuroprotective agent;
orphan drug;
prodrug		00low000000
argon
0
monoatomic argon;
noble gas atom;
p-block element atom		food packaging gas;
neuroprotective agent		00low000000
tenocyclidine
0
piperidines;
tertiary amino compound;
thiophenes		central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist		00low000000
norvaline
0
2-aminopentanoic acid;
L-alpha-amino acid zwitterion		bacterial metabolite;
hypoglycemic agent;
neuroprotective agent		00low000000
sesamin
0
benzodioxoles;
furofuran;
lignan		antineoplastic agent;
neuroprotective agent;
plant metabolite		00low000000
rivastigmine
0
carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent		00low000000
loganin
0
beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol		anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite		00low000000
7-ketocholesterol
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
7-oxo steroid;
cholestanoid		neuroprotective agent00low000000
phenylisopropyladenosine
0
aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent		00low000000
delta(9)-tetrahydrocannabinolic acid
0
benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide		anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent		00low000000
galgravin
0
aryltetrahydrofuran;
dimethoxybenzene;
lignan;
ring assembly		bone density conservation agent;
neuroprotective agent;
plant metabolite;
platelet aggregation inhibitor		00low000000
s-methylthiocitrulline
0
imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent		00low000000
ta 0910
0
oligopeptideanalgesic;
neuroprotective agent;
nootropic agent		00low000000
cgp 42112a
0
benzyl ester;
oligopeptide;
pyridinecarboxamide		angiotensin receptor agonist;
anti-inflammatory agent;
antineoplastic agent;
neuroprotective agent;
vasodilator agent		00low000000
3-(2,2,2-trimethylhydrazine)propionate
0
ammonium betainecardioprotective agent;
EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor;
neuroprotective agent		00low000000
27-hydroxycholesterol
0
26-hydroxycholesterolapoptosis inducer;
human metabolite;
mouse metabolite;
neuroprotective agent		00low000000
rubimaillin
0
benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite		00low000000
ilomastat
0
hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent		00low000000
lanthionine ketimine
0
1,4-thiazine;
dicarboxylic acid;
sulfur-containing amino acid		anti-inflammatory agent;
human urinary metabolite;
neuroprotective agent		00low000000
salvigenin
0
monohydroxyflavone;
trimethoxyflavone		antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite		00low000000
fasudil hydrochloride
0
hydrochlorideantihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
neuroprotective agent;
nootropic agent;
vasodilator agent		00low000000
6-methylthiohexyl isothiocyanate
0
isothiocyanate;
methyl sulfide		antineoplastic agent;
Arabidopsis thaliana metabolite;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
neuroprotective agent		00low000000
anacardic acid
0
hydroxy monocarboxylic acid;
hydroxybenzoic acid		anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite		00low000000
sb 203580
0
imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent		00low000000
dizocilpine
0
secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		00low000000
memantine hydrochloride
0
hydrochlorideantidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist		00low000000
theanine
0
amino acid zwitterion;
N(5)-alkyl-L-glutamine		geroprotector;
neuroprotective agent;
plant metabolite		00low000000
neriifolin
0
cardenolide glycosidecardiotonic drug;
neuroprotective agent;
toxin		00low000000
ginsenoside rg1
0
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		neuroprotective agent;
pro-angiogenic agent		00low000000
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
0
carbotetracyclic compound;
polyphenol		estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent		00low000000
dimethyloxalylglycine
0
glycine derivative;
methyl ester;
secondary carboxamide		EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor;
neuroprotective agent		00low000000
rhapontin
0
rhaponticinangiogenesis 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		00low000000
glycerylphosphorylcholine
0
phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite		00low000000
huperzine a
0
organic heterotricyclic compound;
primary amino compound;
pyridone;
sesquiterpene alkaloid		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent;
nootropic agent;
plant metabolite		00low000000
n-(4-(n-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide
0
pyrazines;
sulfonamide;
thiophenes		necroptosis inhibitor;
neuroprotective agent		00low000000
amn082
0
benzenes;
diamine;
diarylmethane;
secondary amino compound		metabotropic glutamate receptor agonist;
neuroprotective agent		00low000000
rasagiline
0
indanes;
secondary amine;
terminal acetylenic compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent		00low000000
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
0
benzenes;
thiadiazolidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
gossypin
0
7-hydroxyflavonol;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone		neuroprotective agent;
plant metabolite		00low000000
hinokiflavone
0
aromatic ether;
biflavonoid;
hydroxyflavone		antineoplastic agent;
metabolite;
neuroprotective agent		00low000000
acteoside
0
catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol		anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite		00low000000
arachidonyl-2-chloroethylamide
0
fatty amide;
organochlorine compound;
secondary carboxamide;
synthetic cannabinoid		CB1 receptor agonist;
CB2 receptor agonist;
neuroprotective agent		00low000000
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone
0
morpholines;
naphthyl ketone;
organic heterotricyclic compound;
synthetic cannabinoid		analgesic;
apoptosis inhibitor;
neuroprotective agent		00low000000
su 11248
0
monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist		00low000000
tetrahydroxycurcumin
0
beta-diketone;
catechols;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
neuroprotective agent;
plant metabolite		00low000000
dizocilpine maleate
0
maleate salt;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		00low000000
sdz eaa 494
0
monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist		00low000000
ro 25-6981
0
benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist		00low000000
bis(7)-tacrine
0
secondary amino compoundapoptosis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent		00low000000
ursodoxicoltaurine
0
bile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent		00low000000
l 779976
0
benzimidazoles;
indoles;
piperidinecarboxamide;
primary amino compound;
secondary carboxamide		neuroprotective agent;
somatostatin receptor agonist		00low000000
NNC 55-0396 (free base)
0
benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
ly 379268
0
amino dicarboxylic acid;
bridged compound;
organic heterobicyclic compound		antipsychotic agent;
anxiolytic drug;
metabotropic glutamate receptor agonist;
neuroprotective agent		00low000000
glu-asp-arg
0
tripeptideneuroprotective agent00low000000
n-arachidonoyl l-serine
0
N-(fatty acyl)-L-alpha-amino acidcannabinoid receptor agonist;
mammalian metabolite;
neuroprotective agent;
pro-angiogenic agent;
vasodilator agent		00low000000
n-benzylhexadecanamide
0
macamide;
secondary carboxamide		EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
neuroprotective agent;
plant metabolite		00low000000
np 031112
0
benzenes;
naphthalenes;
thiadiazolidine		anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
cytidine diphosphate choline
0
nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite		00low000000
ginsenoside rd
0
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary		00low000000
n,n'-dibenzhydrylethane-1,2-diamine dihydrochloride
0
hydrochloridegeroprotector;
metabotropic glutamate receptor agonist;
neuroprotective agent		00low000000
glycoursodeoxycholic acid
0
bile acid glycine conjugate;
N-acylglycine		human blood serum metabolite;
neuroprotective agent		00low000000
protectin d1
0
dihydroxydocosahexaenoic acid;
protectin;
secondary allylic alcohol		anti-inflammatory agent;
apoptosis inhibitor;
hepatoprotective agent;
human xenobiotic metabolite;
neuroprotective agent;
PPARgamma agonist;
specialised pro-resolving mediator		00low000000
forapin
0
peptidyl amide;
polypeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.13 (protein kinase C) inhibitor;
hepatoprotective agent;
neuroprotective agent;
venom		00low000000
astressin
0
homodetic cyclic peptide;
polypeptide		corticotropin-releasing factor receptor antagonist;
neuroprotective agent		00low000000
liraglutide
0
lipopeptide;
polypeptide		glucagon-like peptide-1 receptor agonist;
neuroprotective agent		00low000000
nnc 55-0396
0
hydrochlorideangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker		00low000000
albiflorin
0
benzoate ester;
beta-D-glucoside;
bridged compound;
gamma-lactone;
monoterpene glycoside;
secondary alcohol		neuroprotective agent;
plant metabolite		00low000000
SL-327
0
(trifluoromethyl)benzenes;
enamine;
nitrile;
organic sulfide;
primary amino compound;
substituted aniline		EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor;
neuroprotective agent		00low000000
apelin-13 peptide
0
oligopeptideantihypertensive agent;
autophagy inhibitor;
biomarker;
human metabolite;
neuroprotective agent		00low000000
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe
0
polypeptideapoptosis inhibitor;
human metabolite;
neuroprotective agent		00low000000
semaglutide
0
lipopeptide;
polypeptide		anti-obesity agent;
appetite depressant;
glucagon-like peptide-1 receptor agonist;
hypoglycemic agent;
neuroprotective agent		00low000000
maysin
0
disaccharide derivative;
flavone C-glycoside;
secondary alpha-hydroxy ketone;
tetrahydroxyflavone		insecticide;
neuroprotective agent;
plant metabolite		00low000000
((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one)
0
benzodioxoles;
imidazolone;
substituted aniline		autophagy inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.12.1 (dual-specificity kinase) inhibitor;
neuroprotective agent;
nootropic agent		00low000000
rifampin
0
cyclic 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		00low000000
apelin-12 peptide
0
oligopeptidebiomarker;
human blood serum metabolite;
human metabolite;
neuroprotective agent		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
molsidomine
0
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		00low000000
ethyl protocatechuate
0
catechols;
ethyl ester		antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite		00low000000
u 0126
0
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		00low000000
sb 415286
0
C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		00low000000
molsidomine
0
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		00low000000
ethyl-p-hydroxybenzoate
0
ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite		00low000000
etazolate
0
ethyl ester;
hydrazone;
pyrazolopyridine		alpha-secretase activator;
antidepressant;
antipsychotic agent;
anxiolytic drug;
GABA agent;
neuroprotective agent;
phosphodiesterase IV inhibitor		00low000000
SL-327
0
(trifluoromethyl)benzenes;
enamine;
nitrile;
organic sulfide;
primary amino compound;
substituted aniline		EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor;
neuroprotective agent		00low000000
((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one)
0
benzodioxoles;
imidazolone;
substituted aniline		autophagy inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.12.1 (dual-specificity kinase) inhibitor;
neuroprotective agent;
nootropic agent		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
b 844-39
1
diarylmethane201720177.0low000010
pk 11195
3
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent201720205.3low000030
jtv519
3
201720205.3high000030
alprazolam
3
organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic		201720205.3low000030
dan 2163
3
aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic		201720205.3low000030
amlexanox
3
monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug		201720205.3low000030
astemizole
3
benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist		201720205.3low000030
benzbromarone
3
1-benzofurans;
aromatic ketone		uricosuric drug201720205.3low000030
bisindolylmaleimide i
3
201720205.3low000030
bufexamac
3
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201720205.3low000030
cadralazine
3
organic molecular entity201720205.3low000030
carvedilol
2
carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent		201920204.5low000020
cetirizine
2
ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic		201920204.5low000020
chlorcyclizine
3
diarylmethane201720205.3low000030
ci 994
3
acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		201720205.3low000030
cyclosporine
2
201720205.5high000020
deferoxamine
2
acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore		201920223.5low000011
fenbendazole
3
aryl sulfide;
benzimidazoles;
carbamate ester		antinematodal drug201720205.3low000030
berotek
1
resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent		201720177.0low000010
go 6976
3
indolocarbazole;
organic heterohexacyclic compound		EC 2.7.11.13 (protein kinase C) inhibitor201720205.3low000030
haloperidol
3
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		201720205.3low000030
homochlorocyclizine
3
diarylmethane201720205.3low000030
hydroxyzine
3
hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist		201720205.3low000030
ifenprodil
3
piperidines201720205.3low000030
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone
3
naphthalenes201720205.3medium000030
ketamine
3
cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic		201720205.3low000030
ketoprofen
3
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		201720205.3low000030
mebendazole
3
aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator		201720205.3low000030
mephenesin
3
aromatic ether;
glycerol ether		201720205.3low000030
niclosamide
3
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		201720205.3low000030
oxibendazole
3
benzimidazoles;
carbamate ester		201720205.3low000030
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine
3
201720205.3low000030
perphenazine
3
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		201720205.3low000030
pimobendan
3
benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		201720205.3low000030
ag 1879
3
aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine		beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		201720205.3low000030
promethazine
1
phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative		202120213.0low000001
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
2
indoles201720205.5medium000020
ro 31-8220
3
imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor201720205.3low000030
ropinirole
3
indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist		201720205.3low000030
vorinostat
3
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		201720205.3low000030
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
2
stilbenoid201720205.5high000020
trifluperidol
1
aromatic ketone201720177.0low000010
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
3
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		201720205.3low000030
zotepine
3
dibenzothiepine;
tertiary amino compound		alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug		201720205.3low000030
methylene blue
1
organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer		202020204.0low000010
colchicine
3
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		201720205.3low000030
benziodarone
3
aromatic ketone201720205.3low000030
cyclizine
1
N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic		201920195.0low000010
trifluoromethylphenothiazine
1
phenothiazines202120213.0medium000001
phenothiazine
1
phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger		202120213.0low000001
trehalose
3
trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201720205.3low000030
triclocarban
3
dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic		201720205.3low000030
4-tert-octylphenol
3
alkylbenzene201720205.3low000030
ethamivan
3
methoxybenzenes;
phenols		201720205.3low000030
methysergide
3
ergoline alkaloid201720205.3low000030
emetine
3
isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor		201720205.3low000030
podophyllotoxin
3
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		201720205.3low000030
acetylcysteine
1
acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary		201920195.0low000010
etonitazene
3
201720205.3low000030
d-alpha tocopherol
1
alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite		202020204.0low000010
clothiapine
3
dibenzothiazepine201720205.3low000030
benperidol
3
aromatic ketone201720205.3low000030
7-hydroxychlorpromazine
3
phenothiazines201720205.3medium000030
camptothecin
3
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		201720205.3low000030
thenalidine
3
dialkylarylamine;
tertiary amino compound		201720205.3medium000030
bromocriptine
3
indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist		201720205.3low000030
dexchlorpheniramine
3
chlorphenamine201720205.3low000030
dv 1006
3
201720205.3medium000030
climbazole
3
aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes		201720205.3low000030
triadimenol
3
aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite		201720205.3medium000030
amonafide
3
isoquinolines201720205.3low000030
flupirtine
3
aminopyridine201720205.3low000030
chaetochromin
3
201720205.3medium000030
enoximone
3
aromatic ketone201720205.3low000030
gemcitabine
1
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic		202020204.0low000010
aripiprazole
3
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist		201720205.3low000030
desferrioxamine b mesylate
1
methanesulfonate saltantidote;
ferroptosis inhibitor;
iron chelator		202220222.0low000001
aloxistatin
1
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		201920195.0low000010
indocate
3
201720205.3medium000030
N(4)-acetylsulfathiazole
3
1,3-thiazoles;
acetamides;
sulfonamide		marine xenobiotic metabolite201720205.3high000030
cyclizine hydrochloride
2
201720205.5medium000020
2,3-trimethylene-4-quinazolone
3
quinazolines201720205.3medium000030
1,3-dimethyluric acid
3
oxopurinemetabolite201720205.3low000030
n-methylphenothiazine
1
phenothiazines202120213.0low000001
danofloxacin
3
quinolines201720205.3low000030
nitrefazole
3
imidazoles201720205.3medium000030
methotrimeprazine
3
phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist		201720205.3low000030
honokiol
3
biphenyls201720205.3low000030
9-methoxyellipticine
3
201720205.3low000030
3-aminophenoxazone
3
phenoxazine201720205.3low000030
methylene violet
1
202020204.0low000010
3-deazaneplanocin
3
201720205.3low000030
tryptanthrine
3
alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		201720205.3low000030
2-chlorodiazepam
3
201720205.3medium000030
Polycartine B
3
phenazines201720205.3high000030
aminoquinuride dihydrochloride
3
201720205.3high000030
1-(10h-phenothiazin-2-yl)ethanone
1
phenothiazines202120213.0low000001
thioproperazine mesylate
3
phenothiazines201720205.3medium000030
n(6)-(delta(2)-isopentenyl)adenine
3
6-isopentenylaminopurinecytokinin201720205.3low000030
4-methyl-N-(phenylmethyl)benzenesulfonamide
3
sulfonamide201720205.3medium000030
zpck
2
201920204.5low000020
sr141716
3
amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist		201720205.3low000030
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
2
aromatic ketone201720205.5high000020
fingolimod
3
aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist		201720205.3low000030
tesmilifene
3
diarylmethane201720205.3low000030
sr 27897
3
indolyl carboxylic acid201720205.3low000030
gefitinib
1
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		202020204.0low000010
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
3
leucine derivative201720205.3low000030
norketamine
3
organochlorine compound201720205.3low000030
indatraline
2
indanes201920204.5low000020
methotrexate
3
dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent		201720205.3low000030
salvinorin a
1
organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen		201920195.0low000010
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide
3
201720205.3low000030
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide
3
phenylindole201720205.3low000030
l 741626
3
piperidines201720205.3low000030
dx 8951
3
pyranoindolizinoquinoline201720205.3low000030
tipifarnib
3
imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		201720205.3low000030
cyc 202
3
2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		201720205.3low000030
avasimibe
3
monoterpenoid201720205.3low000030
l 163191
3
201720205.3low000030
dizocilpine
3
secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		201720205.3low000030
s-benzylcysteine
3
S-aryl-L-cysteine zwitterion201720205.3high000030
chelidonine
3
alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid		201720205.3low000030
lapatinib
3
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
sorafenib
1
(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		202020204.0low000010
roxindole
3
indolesalpha-adrenergic antagonist;
serotonergic drug		201720205.3low000030
conidendrin
3
201720205.3high000030
Porfiromycine
3
mitomycin201720205.3high000030
nsc 95397
3
1,4-naphthoquinones201720205.3low000030
4-methyl-2-quinazolinamine
3
201720205.3high000030
2-glycineamide-5-chlorophenyl-2-pyrryl ketone
3
201720205.3high000030
niguldipine hydrochloride
2
201920204.5medium000020
2,5-bis(5-hydroxymethyl-2-thienyl)furan
3
thiophenes201720205.3low000030
ritonavir
3
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic		201720205.3low000030
bardoxolone methyl
1
cyclohexenones201920195.0low000010
Destruxin B
3
cyclodepsipeptide201720205.3high000030
tosylphenylalanyl chloromethyl ketone
3
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		201720205.3low000030
trichostatin a
1
antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector		201920195.0low000010
sitafloxacin
1
fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic		201920195.0low000010
2'-c-methylcytidine
3
201720205.3low000030
jp-1302
3
201720205.3medium000030
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
3
benzodiazepine201720205.3high000030
tenatoprazole
3
imidazopyridine201720205.3low000030
s 1033
3
(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
5-[(2-fluoroanilino)methyl]-8-quinolinol
3
hydroxyquinoline201720205.3high000030
benidipine hydrochloride
2
201720205.5low000020
benidipine
1
201920195.0low000010
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
3
quinazolines201720205.3high000030
chlorprothixene
3
chlorprothixene201720205.3medium000030
jrf 12
3
201720205.3low000030
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
3
methoxybenzenes;
substituted aniline		201720205.3high000030
3-hydroxypyridine, sodium salt
3
201720205.3high000030
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide
3
naphthalenecarboxamide201720205.3medium000030
5-[(2-bromoanilino)methyl]-8-quinolinol
3
hydroxyquinoline201720205.3high000030
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
3
201720205.3medium000030
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
3
aromatic amine201720205.3high000030
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide
3
piperidinecarboxamide201720205.3high000030
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol
3
hydroxyquinoline201720205.3high000030
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
3
acetamides;
anilide		201720205.3high000030
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
3
aromatic amide;
thiophenes		201720205.3high000030
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone
3
dimethoxybenzene201720205.3high000030
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide
3
aromatic amide201720205.3high000030
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
3
aromatic ether201720205.3high000030
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione
3
maleimides201720205.3high000030
Src Inhibitor-1
3
aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor201720205.3high000030
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
3
dimethoxybenzene201720205.3high000030
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide
3
quinolines201720205.3high000030
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3
pyrroles201720205.3high000030
bi-78d3
3
aryl sulfide201720205.3medium000030
kartogenin
3
201720205.3low000030
methyl-thiohydantoin-tryptophan
1
organonitrogen compound;
organooxygen compound		202120213.0low000001
toremifene
1
aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		201920195.0low000010
vx-745
3
aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		201720205.3low000030
dasatinib
3
1,3-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		201720205.3low000030
zd 6474
3
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
2
indoles201920204.5high000020
nih-12848
3
201720205.3high000030
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide
3
quinazolines201720205.3high000030
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
3
benzimidazoles201720205.3high000030
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile
3
imidazopyridine201720205.3high000030
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
3
aromatic ketone201720205.3high000030
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester
3
oxopurine201720205.3high000030
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester
3
organonitrogen compound;
organosulfur compound		201720205.3high000030
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide
3
quinolines201720205.3high000030
LSM-1924
3
organic heterotricyclic compound;
organooxygen compound		201720205.3high000030
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine
3
C-nitro compound201720205.3high000030
rabeprazole(1-)
2
organic nitrogen anion201920204.5high000020
ncgc00099374
3
201720205.3high000030
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
3
benzamides201720205.3high000030
luteolin
3
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		201720205.3low000030
cyclosporine
1
201920195.0low000010
kaempferol
3
7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite		201720205.3low000030
genistein
3
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		201720205.3low000030
mycophenolate mofetil
3
carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug		201720205.3medium000030
bruceantin
3
triterpenoid201720205.3low000030
chrysin
3
7-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite		201720205.3low000030
daidzein
3
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		201720205.3low000030
neticonazole
3
aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor		201720205.3medium000030
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine
3
endocannabinoid;
N-acylethanolamine 22:6		201720205.3medium000030
n-oleoylethanolamine
3
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist		201720205.3low000030
alpha-zearalenol
3
macrolide201720205.3high000030
su 9516
3
201720205.3low000030
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
3
triazolopyrimidines201720205.3high000030
sb 277011
3
201720205.3low000030
sb 223412
3
201720205.3low000030
sr 59230a
3
tetralins201720205.3high000030
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide
3
pyrimidines201720205.3medium000030
kn 62
3
piperazines201720205.3low000030
MeJA
3
Jasmonate derivatives201720205.3high000030
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-
3
201720205.3high000030
pd 161570
3
201720205.3medium000030
su 11248
1
monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist		201720177.0low000010
palbociclib
3
aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		201720205.3low000030
jnj-7706621
3
sulfonamide201720205.3low000030
virginiamycin factor s1
3
cyclodepsipeptide;
macrolide antibiotic		antibacterial drug;
bacterial metabolite		201720205.3high000030
fenoterol
2
hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		201920204.5low000020
xib 4035
3
201720205.3high000030
gw-5074
1
201920195.0low000010
belotecan
3
pyranoindolizinoquinoline201720205.3low000030
norgestimate
3
ketoxime;
steroid ester;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive		201720205.3high000030
b 43
3
aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		201720205.3medium000030
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine
3
201720205.3medium000030
methiazole
3
benzimidazoles;
carbamate ester		201720205.3high000030
sb 218795
3
quinolines201720205.3medium000030
bvt.948
3
201720205.3high000030
ca 074 methyl ester
1
201920195.0low000010
fk 866
1
benzamides;
N-acylpiperidine		201920195.0low000010
a 38503
3
201720205.3medium000030
parthenolide
2
sesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		201720196.0medium000020
krn 633
3
201720205.3medium000030
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid
3
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		201720205.3high000030
gw 501516
3
1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist		201720205.3low000030
dolastatin 10
3
1,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent		201720205.3low000030
spc-839
3
201720205.3low000030
midostaurin
3
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		201720205.3low000030
valnemulin
2
201920204.5medium000020
nu 7026
3
organic heterotricyclic compound;
organooxygen compound		201720205.3low000030
osi 930
3
aromatic amide201720205.3medium000030
ticagrelor
3
aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor		201720205.3low000030
l 692585
3
peptide201720205.3high000030
pi103
3
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		201720205.3low000030
nnc 26-9100
3
aminopyridine201720205.3medium000030
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine
3
201720205.3high000030
mcc-950
1
202120213.0low000001
tivozanib
3
aromatic ether201720205.3low000030
hki 272
1
nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		201920195.0low000010
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
3
201720205.3medium000030
tae226
3
morpholines201720205.3low000030
gw0742
3
monocarboxylic acid201720205.3low000030
u 18666a
3
hydrochlorideantiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor		201720205.3low000030
sb 525334
3
quinoxaline derivative201720205.3low000030
bx795
3
ureas201720205.3low000030
azd 6244
3
benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		201720205.3low000030
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
3
201720205.3medium000030
bay 61-3606
3
pyrimidines201720205.3medium000030
sd-208
3
201720205.3low000030
crenolanib
3
aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		201720205.3low000030
cj 033466
3
201720205.3high000030
cc 401
3
pyrazoles;
ring assembly		201720205.3medium000030
PB28
3
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		201720205.3low000030
arterolane
3
201720205.3low000030
cariprazine
3
201720205.3low000030
krp-203
3
201720205.3high000030
regorafenib
3
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		201720205.3low000030
at 7867
3
monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		201720205.3high000030
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester
3
pyrroloquinoline201720205.3high000030
ptc 124
3
oxadiazole;
ring assembly		201720205.3low000030
degrasyn
2
201920204.5low000020
bi 2536
3
201720205.3low000030
azd 1152
3
anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug		201720205.3medium000030
carfilzomib
3
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		201720205.3low000030
idelalisib
3
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		201720205.3low000030
motesanib
3
pyridinecarboxamide201720205.3medium000030
pf-562,271
3
indoles201720205.3medium000030
gliocladin c
3
201720205.3high000030
sb 706504
3
201720205.3high000030
ku-0060648
3
dibenzothiophenes201720205.3medium000030
bgt226
3
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		201720205.3medium000030
n-desmethyldanofloxacin
3
201720205.3high000030
rabeprazole sodium
1
organic sodium salt201720177.0low000010
azd 1152-hqpa
2
anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor		201920204.5low000020
CDN1163
3
aromatic ether;
quinolines;
secondary carboxamide		SERCA activator201720205.3medium000030
gsk 269962a
3
201720205.3medium000030
pha 848125
3
201720205.3medium000030
nvp-bhg712
3
benzamides201720205.3medium000030
pf 04217903
3
quinolines201720205.3medium000030
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
3
aromatic ketone201720205.3high000030
ph 797804
3
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		201720205.3low000030
srt1720
3
201720205.3low000030
purfalcamine
3
201720205.3high000030
bms 754807
3
pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		201720205.3low000030
ponatinib
3
(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
quizartinib
3
benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor		201720205.3low000030
PP121
3
aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor		201720205.3medium000030
navitoclax
3
aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		201720205.3low000030
gsk 650394
3
phenylpyridine201720205.3medium000030
dcc-2036
3
organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines		tyrosine kinase inhibitor201720205.3medium000030
cabozantinib
3
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		201720205.3low000030
TAK-580
3
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor		201720205.3medium000030
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
3
chromones201720205.3high000030
pf 3758309
3
organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		201720205.3low000030
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol
2
benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor		201920204.5low000020
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
3
aryl sulfide;
thienopyrimidine		201720205.3high000030
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
3
aryl sulfide;
thienopyrimidine		201720205.3high000030
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
3
aryl sulfide;
thienopyrimidine		201720205.3high000030
baricitinib
3
azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent		201720205.3low000030
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine
3
quinazolines201720205.3high000030
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
3
organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		201720205.3medium000030
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
3
hydroxyquinoline201720205.3high000030
p505-15
3
201720205.3high000030
mrt67307
3
aromatic amine201720205.3medium000030
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide
3
piperazines201720205.3high000030
ribociclib
3
201720205.3low000030
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
3
aromatic ketone;
thienopyrimidine		201720205.3high000030
pha 793887
3
piperidinecarboxamide201720205.3high000030
gsk 2334470
1
indazoles201920195.0low000010
ml228 probe
3
1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound		hypoxia-inducible factor pathway activator201720205.3high000030
pf-03882845
3
201720205.3high000030
jq1 compound
3
carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer		201720205.3low000030
pf-04620110
3
201720205.3medium000030
gsk525762a
3
benzodiazepine201720205.3low000030
birinapant
1
dipeptide201920195.0low000010
torin 1
3
N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor		201720205.3medium000030
abt-199
3
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		201720205.3low000030
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
3
ureas201720205.3medium000030
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide
3
(trifluoromethyl)benzenes201720205.3high000030
ncgc00242364
3
quinazolines201720205.3high000030
gsk1210151a
3
imidazoquinoline201720205.3low000030
hs-173
3
201720205.3high000030
sr1664
3
indolecarboxamide201720205.3high000030
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide
3
201720205.3high000030
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
2
benzamides;
N-acylpiperidine		201720205.5high000020
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
2
aminoquinoline201720205.5high000020
cudc-907
3
201720205.3low000030
ascorbic acid
1
ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent		202220222.0low000001
methacycline
1
201920195.0low000010
methacycline monohydrochloride
2
201720205.5low000020
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid
3
quinolines201720205.3high000030
agi-5198
3
201720205.3low000030
cep-32496
3
201720205.3medium000030
epz004777
3
N-glycosyl compound201720205.3low000030
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid
3
organonitrogen heterocyclic compound201720205.3medium000030
entecavir
3
benzamides;
N-acylpiperidine		201720205.3medium000030
gkt137831
3
201720205.3low000030
vx-509
3
201720205.3high000030
vx-970
3
sulfonamide201720205.3low000030
gs-9973
3
201720205.3high000030
amg 925
3
201720205.3high000030
gne-618
3
201720205.3high000030
g007-lk
3
201720205.3medium000030
volitinib
3
201720205.3high000030
ML355
3
benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor		201720205.3high000030
acp-196
3
aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		201720205.3low000030
gsk343
3
aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor		201720205.3low000030
agi-6780
3
201720205.3medium000030
khs101
3
201720205.3medium000030
cb-839
3
201720205.3low000030
gsk-j4
3
organonitrogen heterocyclic compound201720205.3low000030
pf-06424439
3
201720205.3high000030
etp-46464
3
201720205.3high000030
onc201
3
201720205.3low000030
kai407
3
201720205.3high000030
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine
3
201720205.3high000030
enasidenib
3
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		201720205.3low000030
oicr-9429
3
201720205.3medium000030
lly-507
3
201720205.3medium000030
at 9283
3
201720205.3medium000030
hypoxanthine
3
nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite201720205.3low000030
clozapine
3
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic		201720205.3low000030
1-hydroxyphenazine
3
phenazines201720205.3low000030
ro 24-7429
3
benzodiazepine201720205.3medium000030
nintedanib
3
201720205.3low000030
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide
3
catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor201720205.3high000030
ver 52296
3
aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor		201720205.3low000030
rvx 208
3
201720205.3low000030
bmn 673
3
201720205.3low000030
liproxstatin-1
1
azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound		antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger		202020204.0low000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
adenine
1
6-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		202220222.0low000001
chlorine
1
halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite		202220222.0low000001
hydrogen
1
elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite		202020204.0low000010
melatonin
1
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		202220222.0low000001
niacinamide
1
pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor		2013201311.0low000010
acetaminophen
2
acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		201520206.5low000020
bupivacaine
1
aromatic amide;
piperidinecarboxamide;
tertiary amino compound		202320231.0low000001
busulfan
1
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent		202020204.0low000010
ciclopirox
1
cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone		antibacterial agent;
antiseborrheic		202320231.0low000001
deferoxamine
24
acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore		201320234.6low0000186
hydroxyurea
1
one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent		201520159.0low000010
isoflurane
1
organofluorine compoundinhalation anaesthetic201920195.0low000010
oxidopamine
1
benzenetriol;
catecholamine;
primary amino compound		drug metabolite;
human metabolite;
neurotoxin		202020204.0low000010
propofol
1
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		202320231.0low000001
sevoflurane
1
ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor		202320231.0low000001
sulfasalazine
4
201820233.0low000022
trigonelline
1
alkaloid;
iminium betaine		food component;
human urinary metabolite;
plant metabolite		201720177.0low000010
glutamine
1
amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		201820186.0low000010
cycloheximide
1
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		202020204.0low000010
cytarabine
1
beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent		202020204.0low000010
tert-butylhydroperoxide
2
alkyl hydroperoxideantibacterial agent;
oxidising agent		201320188.5low000020
rotenone
2
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		201520187.5low000020
quinoxalines
10
mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene		201620224.9low000073
acrolein
1
enalherbicide;
human xenobiotic metabolite;
toxin		201920195.0low000010
pyrazolanthrone
1
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		202020204.0low000010
quinazolines
1
azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines		201620168.0low000010
oxazoles
1
1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		202220222.0low000001
monocrotaline
1
pyrrolizidine alkaloid202220222.0low000001
cuprizone
1
organonitrogen compound;
organooxygen compound		202020204.0low000010
malondialdehyde
9
dialdehydebiomarker201820223.7low000054
trinitrobenzenesulfonic acid
1
arenesulfonic acid;
C-nitro compound		epitope;
explosive;
reagent		202120213.0low000001
acetylcysteine
5
acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary		201620235.0low000041
decabromobiphenyl ether
1
polybromodiphenyl etherneurotoxin202320231.0low000001
zinc oxide
1
zinc molecular entity202020204.0low000010
vancomycin
1
glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite		202320231.0low000001
d-alpha tocopherol
4
alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite		201720204.8low000040
phenethyl isothiocyanate
1
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite		201620168.0low000010
ferric chloride
1
iron coordination entityastringent;
Lewis acid		202220222.0low000001
transferrin
3
201620215.0low000021
calcium oxalate
1
organic calcium salt202220222.0low000001
glutamic acid
3
glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical		201220198.7low000030
1-methyl-4-phenylpyridinium
1
pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin		202120213.0low000001
n-acetyl-4-benzoquinoneimine
1
ketoimine;
quinone imine		201520159.0low000010
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
1
chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor		201720177.0low000010
zileuton
1
1-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug		201520159.0low000010
ferric citrate
1
iron chelateanti-anaemic agent;
nutraceutical		201820186.0low000010
glucose, (beta-d)-isomer
1
D-glucopyranoseepitope;
mouse metabolite		202120213.0low000001
triazoles
1
1,2,3-triazole202020204.0low000010
artemether
1
artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid		antimalarial201520159.0low000010
masoprocol
1
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite		201720177.0low000010
diosgenin
1
3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite		202120213.0low000001
cobalt
1
cobalt group element atom;
metal allergen		micronutrient202220222.0low000001
artesunic acid
2
201520178.0low000020
fingolimod hydrochloride
1
hydrochlorideimmunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist		202020204.0low000010
dioscin
1
hexacyclic triterpenoid;
spiroketal;
spirostanyl glycoside;
trisaccharide derivative		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 1.14.18.1 (tyrosinase) inhibitor;
hepatoprotective agent;
metabolite		202120213.0low000001
rubimaillin
1
benzochromene;
methyl ester;
phenols		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite		202320231.0low000001
hydroxyl radical
1
oxygen hydride;
oxygen radical;
reactive oxygen species		201820186.0low000010
angiotensin ii
2
amino acid zwitterion;
angiotensin II		human metabolite202120222.5low000002
lapatinib
1
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		201620168.0low000010
sorafenib
2
(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		201320207.5low000020
carnosine
1
amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent		201920195.0low000010
resveratrol
1
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		202320231.0low000001
oleic acid
1
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent		202020204.0low000010
dactinomycin
1
actinomycinmutagen201820186.0low000010
glycosides
1
201620168.0low000010
piplartine
1
cinnamamides;
dicarboximide		201820186.0low000010
stilbenes
1
stilbene202120213.0low000001
3,3',4,5'-tetrahydroxystilbene
1
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		202120213.0low000001
curcumin
1
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		202320231.0low000001
2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide
1
202120213.0low000001
nadp
2
201920214.0low000011
methyl-thiohydantoin-tryptophan
5
organonitrogen compound;
organooxygen compound		201320207.4low000050
artemotil
1
artemisinin derivative201520159.0low000010
maneb
1
202320231.0low000001
cystine
1
202320231.0low000001
compound 968
1
benzophenanthridineEC 3.5.1.2 (glutaminase) inhibitor202120213.0low000001
ovalbumin
1
202220222.0low000001
quercetin
2
7-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger		202020232.5low000011
vitamin d 2
1
hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide		202020204.0low000010
paricalcitol
1
hydroxy seco-steroid;
seco-cholestane		antiparathyroid drug202020204.0low000010
baicalein
1
trihydroxyflavoneangiogenesis 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		201720177.0low000010
astringin
1
beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		antineoplastic agent;
antioxidant;
metabolite		202120213.0low000001
4-hydroxy-2-nonenal
5
4-hydroxynon-2-enal;
4-hydroxynonenal		201920204.2low000050
icariin
1
flavonols;
glycosyloxyflavone		antioxidant;
bone density conservation agent;
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
phytoestrogen		202320231.0low000001
arsenic
1
metalloid atom;
pnictogen		micronutrient202220222.0low000001
cytochalasin e
1
cytochalasan alkaloidmetabolite201920195.0low000010
cotylenin a
2
201620187.0low000020
cysteine
1
cysteiniumfundamental metabolite202020204.0low000010
oxalates
1
202220222.0low000001
antimycin a
1
amidobenzoic acid201820186.0low000010
i(3)so3-galactosylceramide
1
galactosylceramide sulfate;
N-acyl-beta-D-galactosylsphingosine		202220222.0low000001
beta-escin
1
202320231.0low000001
lu 28-179
1
201620168.0low000010
alpha-synuclein
1
202320231.0low000001
artemisitene
1
201520159.0low000010
erastin
15
aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor		201220215.0low0000114
dorsomorphin
1
aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor		202020204.0low000010
losartan potassium
1
202020204.0low000010
sm 164
1
benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent		202020204.0low000010
ponatinib
1
(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor		201620168.0low000010
ldn 193189
1
pyrimidines202020204.0low000010
necrox-7
1
201620168.0low000010
birinapant
1
dipeptide202020204.0low000010
heme
2
202020223.0low000011
transforming growth factor beta
1
202320231.0low000001
gkt137831
1
202020204.0low000010
necrox-5
1
201620168.0low000010
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone
4
201620235.0low000031
ferric ammonium citrate
1
201820186.0low000010
cyclosporine
1
201920195.0low000010
3-methyladenine
1
202220222.0low000001
allopurinol
1
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		202320231.0low000001
liproxstatin-1
10
azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound		antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger		201620224.9high000073
pseudolaric acid b
1
201820186.0low000010
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Absence Seizure0
1
202220222.0low000001
Acoustic Trauma0
1
202220222.0low000001
Acute Brain Injuries0
5
201820233.0low000023
Acute Hepatic Failure0
1
202020204.0low000010
Acute Ischemic Stroke0
3
202120232.0low000003
Acute Kidney Failure0
8
201820233.0low000035
Acute Kidney Injury0
8
201820233.0low000035
Acute Liver Injury, Drug-Induced0
2
202020232.5low000011
Acute Lung Injury0
2
202020232.5low000011
Acute Lymphoid Leukemia0
1
201720177.0low000010
Acute Myelogenous Leukemia0
1
202020204.0low000010
Acute Radiation Syndrome0
1
202120213.0low000001
ADPKD0
1
202120213.0low000001
Adult Neuroaxonal Dystrophy0
1
201720177.0low000010
Age-Related Osteoporosis0
1
202220222.0low000001
Aging0
1
202020204.0low000010
Akinetic-Rigid Variant of Huntington Disease0
1
2014201410.0low000010
Alloxan Diabetes0
2
202020213.5low000011
ALS - Amyotrophic Lateral Sclerosis0
1
202320231.0low000001
Amyotrophic Lateral Sclerosis0
1
202320231.0low000001
Angiogenesis, Pathologic0
2
202320231.0low000002
Angioma0
1
202120213.0low000001
Anoxemia0
3
202320231.0low000003
Anoxia-Ischemia, Brain0
1
202220222.0low000001
Apnea, Obstructive Sleep0
1
202320231.0low000001
Apoplexy0
3
202020232.0low000012
Arthritis, Degenerative0
2
202320231.0low000002
Asialia0
1
202320231.0low000001
Asthma0
4
202220231.2low000004
Asthma, Bronchial0
4
202220231.2low000004
Asystole0
1
202220222.0low000001
Atherogenesis0
2
202120232.0low000002
Atherosclerosis0
2
202120232.0low000002
Atrial Fibrillation0
1
202320231.0low000001
Atrial Remodeling0
1
202320231.0low000001
Atrophy0
1
202220222.0low000001
Atypical Mycobacterial Infection, Disseminated0
1
202220222.0low000001
Auricular Fibrillation0
1
202320231.0low000001
Autoimmune Diabetes0
1
202320231.0low000001
Benign Neoplasms0
3
201220237.0low000021
Benign Neoplasms, Brain0
1
201820186.0low000010
Benign Psychomotor Epilepsy, Childhood0
1
202020204.0low000010
Bilirubinemia0
1
202320231.0low000001
Bladder Cancer0
1
202020204.0low000010
Blood Poisoning0
2
202120222.5low000002
Blood Pressure, High0
2
202220231.5low000002
Brain Edema0
1
201820186.0low000010
Brain Hemorrhage, Cerebral0
4
201720225.0low000031
Brain Injuries0
5
201820233.0low000023
Brain Injuries, Traumatic0
1
201920195.0low000010
Brain Ischemia0
4
202020231.8low000013
Brain Neoplasms0
1
201820186.0low000010
Brain Swelling0
1
201820186.0low000010
Breast Cancer0
1
202320231.0low000001
Breast Neoplasms0
1
202320231.0low000001
Cancer of Esophagus0
1
202320231.0low000001
Cancer of Head0
1
201720177.0low000010
Cancer of Liver0
4
201320235.0low000031
Cancer of Pancreas0
2
201620187.0low000020
Carbon Tetrachloride Poisoning0
1
202020204.0low000010
Carcinoma, Hepatocellular0
3
201320235.3low000021
Cardiac Failure0
2
202020213.5low000011
Cardiac Rupture, Traumatic0
1
202320231.0low000001
Cardiomyopathies0
4
202020232.2low000013
Cardiomyopathies, Primary0
4
202020232.2low000013
Cardiomyopathy, Hypertrophic0
1
202020204.0low000010
Cardiomyopathy, Hypertrophic Obstructive0
1
202020204.0low000010
Cardiovascular Diseases0
1
202320231.0low000001
Cardiovascular Stroke0
2
202220231.5low000002
Cerebral Hemorrhage0
4
201720225.0low000031
Cerebral Infarction, Middle Cerebral Artery0
1
202320231.0low000001
Cerebral Ischemia0
4
202020231.8low000013
Chemical and Drug Induced Liver Injury0
2
202020232.5low000011
Chronic Kidney Diseases0
1
202220222.0low000001
Cicatrix0
1
202320231.0low000001
Cicatrization0
1
202320231.0low000001
Cirrhosis0
4
202220231.5low000004
Cirrhosis, Liver0
2
202020204.0low000020
Clinically Isolated CNS Demyelinating Syndrome0
1
202020204.0low000010
Cognitive Decline0
2
202020223.0low000011
Cognitive Dysfunction0
2
202020223.0low000011
Colitis Gravis0
1
202120213.0low000001
Colitis, Granulomatous0
1
202120213.0low000001
Colitis, Ulcerative0
1
202120213.0low000001
Colorectal Cancer0
2
202320231.0low000002
Colorectal Neoplasms0
2
202320231.0low000002
Congenital Zika Syndrome0
1
202020204.0low000010
Crohn Disease0
1
202120213.0low000001
Cystic Periventricular Leukomalacia0
1
2014201410.0low000010
Degenerative Disc Disease0
1
202320231.0low000001
Degenerative Diseases, Central Nervous System0
2
202320231.0low000002
Demyelinating Diseases0
1
202020204.0low000010
Diabetes Mellitus0
2
202320231.0low000002
Diabetes Mellitus, Adult-Onset0
1
202020204.0low000010
Diabetes Mellitus, Type 10
1
202320231.0low000001
Diabetes Mellitus, Type 20
1
202020204.0low000010
Diabetic Glomerulosclerosis0
1
202320231.0low000001
Diabetic Nephropathies0
1
202320231.0low000001
Disease Exacerbation0
3
202020213.3low000012
Disease Models, Animal0
12
201820233.1low000057
Drug-Induced Cochlear Toxicity0
2
202020204.0low000020
Encephalopathy, Toxic0
4
201820233.0low000022
Encephalopathy, Traumatic0
1
201920195.0low000010
Epilepsy, Temporal Lobe0
1
202020204.0low000010
ER-Negative PR-Negative HER2-Negative Breast Cancer0
1
202120213.0low000001
Esophageal Neoplasms0
1
202320231.0low000001
Extravascular Hemolysis0
1
202320231.0low000001
Fatty Liver, Nonalcoholic0
1
202020204.0low000010
Fibrosis0
4
202220231.5low000004
Focal Segmental Glomerulosclerosis0
1
202320231.0low000001
Fuch's Endothelial Dystrophy0
1
202020204.0low000010
Fuchs' Endothelial Dystrophy0
1
202020204.0low000010
Glial Cell Tumors0
1
201820186.0low000010
Glioma0
1
201820186.0low000010
Glomerulosclerosis, Focal Segmental0
1
202320231.0low000001
Head and Neck Neoplasms0
1
201720177.0low000010
Hearing Loss, Noise-Induced0
1
202220222.0low000001
Heart Arrest0
1
202220222.0low000001
Heart Failure0
2
202020213.5low000011
Hemangioma0
1
202120213.0low000001
Hematoma0
1
202220222.0low000001
Hemolysis0
1
202320231.0low000001
Hemorrhage, Subarachnoid0
1
202320231.0low000001
Hepatic Failure0
1
202020204.0low000010
Hepatocellular Carcinoma0
3
201320235.3low000021
Huntington Disease0
1
2014201410.0low000010
Hypertension0
2
202220231.5low000002
Hypertension, Pulmonary0
1
202220222.0low000001
Hypertrophy, Left Ventricular0
1
202020204.0low000010
Hypospermatogenesis0
1
202020204.0low000010
Hypothermia0
1
202320231.0low000001
Hypothermia, Accidental0
1
202320231.0low000001
Hypoxia0
3
202320231.0low000003
Hypoxia-Ischemia, Brain0
1
202220222.0low000001
Infarction, Middle Cerebral Artery0
1
202320231.0low000001
Infertility0
1
201920195.0low000010
Inflammation0
13
201920231.9low0000112
Injuries, Spinal Cord0
2
202220231.5low000002
Injury, Ischemia-Reperfusion0
9
201720233.0low000054
Injury, Myocardial Reperfusion0
4
201820233.5low000022
Innate Inflammatory Response0
13
201920231.9low0000112
Intervertebral Disc Degeneration0
1
202320231.0low000001
Iron Metabolism Disorders0
1
201720177.0low000010
Iron Overload0
8
201920233.0low000044
Ischemic Stroke0
3
202120232.0low000003
Kahler Disease0
1
202020204.0low000010
Kidney Diseases0
2
201420226.0low000011
Kidney Failure0
1
201720177.0low000010
Koch's Disease0
1
202220222.0low000001
Left Ventricular Hypertrophy0
1
202020204.0low000010
Leukemia, Myeloid, Acute0
1
202020204.0low000010
Leukomalacia, Periventricular0
1
2014201410.0low000010
Liver Cirrhosis0
2
202020204.0low000020
Liver Diseases0
1
202020204.0low000010
Liver Dysfunction0
1
202020204.0low000010
Liver Failure0
1
202020204.0low000010
Liver Failure, Acute0
1
202020204.0low000010
Liver Neoplasms0
4
201320235.0low000031
Lung Injury, Acute0
2
202020232.5low000011
Lung Injury, Ventilator-Induced0
1
202320231.0low000001
Malignant Melanoma0
2
201820214.5low000011
Melanoma0
2
201820214.5low000011
Multiple Myeloma0
1
202020204.0low000010
Myocardial Infarction0
2
202220231.5low000002
Necrosis0
2
201620177.5low000020
Neoplasms0
3
201220237.0low000021
Neuroblastoma0
1
201520159.0low000010
Neurodegenerative Diseases0
2
202320231.0low000002
Non-alcoholic Fatty Liver Disease0
1
202020204.0low000010
Osteoarthritis0
2
202320231.0low000002
Osteoporosis0
1
202220222.0low000001
Ototoxicity0
2
202020204.0low000020
Pancreatic Neoplasms0
2
201620187.0low000020
Pericementitis0
2
202320231.0low000002
Periodontitis0
2
202320231.0low000002
Polycystic Kidney, Autosomal Dominant0
1
202120213.0low000001
Precursor Cell Lymphoblastic Leukemia-Lymphoma0
1
201720177.0low000010
Pregnancy0
1
201820186.0low000010
Pulmonary Hypertension0
1
202220222.0low000001
Renal Insufficiency0
1
201720177.0low000010
Renal Insufficiency, Chronic0
1
202220222.0low000001
Reperfusion Injury0
9
201720233.0low000054
Reproductive Sterility0
1
201920195.0low000010
Retinal Degeneration0
1
202120213.0low000001
Retinopathy of Prematurity0
2
202320231.0low000002
Retrolental Fibroplasia0
2
202320231.0low000002
Rhabdomyosarcoma0
2
201820205.0low000020
Seizures0
1
202220222.0low000001
Sepsis0
2
202120222.5low000002
Sepsis Associated Delirium0
3
202320231.0low000003
Sleep Apnea, Obstructive0
1
202320231.0low000001
Spinal Cord Injuries0
2
202220231.5low000002
Stroke0
3
202020232.0low000012
Subarachnoid Hemorrhage0
1
202320231.0low000001
Triple Negative Breast Neoplasms0
1
202120213.0low000001
Tuberculosis0
1
202220222.0low000001
Urinary Bladder Neoplasms0
1
202020204.0low000010
Vascular Calcification0
1
202220222.0low000001
Xerostomia0
1
202320231.0low000001
Zika Virus Infection0
1
202020204.0low000010

Safety/Toxicity (6)

ArticleYear
Ferrostatin-1 ameliorates Bupivacaine-Induced spinal neurotoxicity in rats by inhibiting ferroptosis.
Neuroscience letters, , 07-13, Volume: 809		2023
Realgar-induced nephrotoxicity via ferroptosis in mice.
Journal of applied toxicology : JAT, , Volume: 42, Issue:11		2022
Ferrostatin-1 alleviates cytotoxicity of cobalt nanoparticles by inhibiting ferroptosis.
Bioengineered, , Volume: 13, Issue:3		2022
Ferrostatin-1 protects auditory hair cells from cisplatin-induced ototoxicity in vitro and in vivo.
Biochemical and biophysical research communications, , 12-17, Volume: 533, Issue:4		2020
Beclin1-mediated ferroptosis activation is associated with isoflurane-induced toxicity in SH-SY5Y neuroblastoma cells.
Acta biochimica et biophysica Sinica, , Nov-18, Volume: 51, Issue:11		2019
Hemopexin increases the neurotoxicity of hemoglobin when haptoglobin is absent.
Journal of neurochemistry, , Volume: 145, Issue:6		2018

Bioavailability (2)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019
Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3		2017