Compounds > 3-methyladenine
Page last updated: 2024-08-04 02:46:49

3-methyladenine

Description

N3-methyladenine: structure in first source [MeSH]

Cross-References

ID SourceID
PubMed CID135398661
CHEMBL ID292268
CHEMBL ID4303725
SCHEMBL ID254058
SCHEMBL ID48369
SCHEMBL ID15764619
CHEBI ID38635
MeSH IDM0085737

Synonyms (89)

Synonym
nsc 66389
adenine, 3-methyl-
einecs 225-908-6
brn 0146087
6-amino-3-methylpurine
NCIOPEN2_000270
c6h7n5
nsc-66389
nsc66389
BIO1_000911
BIO1_000422
BIO1_001400
3h-purin-6-amine, 3-methyl-
inchi=1/c6h7n5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3h,7h2,1h
3-methyl-3h-purin-6-amine
3-methyl-3h-purin-6-ylamine
5142-23-4
3-methyladenine ,
C00913
3-methyladenine, autophagy inhibitor
1P7M
DB04104
3-methyl-3h-adenine
CHEBI:38635 ,
3-ma
3-ma nucleobase
n(3)-methyladenine
CHEMBL292268
AKOS003382321
3-methylpurin-6-amine
A7582
AKOS006228458
unii-dr88tv7snu
5-26-17-00151 (beilstein handbook reference)
dr88tv7snu ,
FT-0671432
3-methyl-d3-adenine
FT-0635560
NCGC00345447-02
S2767
BRD-K81647657-001-01-9
SCHEMBL254058
60192-57-6
n3-methyladenine
CCG-206388
SCHEMBL48369
smr002530641
MLS006010995
4AI5
HY-19312
CS-5207
SY026559
mfcd00010531
SCHEMBL15764619
FSASIHFSFGAIJM-UHFFFAOYSA-N
3-methyl-3h-purin-6-amine #
J-640198
W-202935
HB2267
AC-28818
M2518
3-methyladenine autophagy inhibitor
autophagy inhibitor, 3-ma
J-800199
DTXSID80199406
EX-A130
HMS3656P04
bdbm50488841
3,9-dihydro-3-methyl-6h-purin-6-imine
3-methyl-adenine
3-methyl-3h-purin-6-amine (acd/name 4.0)
3-methyl-3h-purin-6-ylamine (acd/name 4.0)
SW220216-1
3-methyladenine (3-ma)
Q27094948
AS-19224
BCP02452
AMY11868
CHEMBL4303725
3-methyl-7h-purin-6-imine
3-methyl-6-aminopurine
methyladenine, n(3)-
6h-purin-6-imine, 3,9-dihydro-3-methyl-
purine, 3,6-dihydro-6-imino-3-methyl-
unii-3899g64tkw
6h-purin-6-imine, 3,7-dihydro-3-methyl-
3899g64tkw ,
DTXSID901346127
PD019337

Pathways (5)

3-methyladenine is involved in 5 pathway(s), involving a total of 321 unique proteins and 100 unique compounds

PathwayProteinsCompounds
DNA Repair25547
Base Excision Repair3523
Base-Excision Repair, AP Site Formation1716
Depurination107
Cleavage of the damaged purine47

Protein Targets (4)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
EWS/FLI fusion proteinHomo sapiens (human)Potency0.2180AID1259252; AID1259253; AID1259255; AID1259256

Activation Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, DNA-3-methyladenine glycosylase IEscherichia coliKd42.0000AID977611
Chain A, DNA-3-METHYLADENINE GLYCOSYLASE IStaphylococcus aureus subsp. aureus MSSA476Kd710.0000AID977611
Chain A, Dna-3-methyladenine Glycosylase IStaphylococcus aureusKd710.0000AID977611

Bioassays (56)

Assay IDTitleYearJournalArticle
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937		High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347124qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347119qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347123qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560		Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347118qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347122qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347128qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347110qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells)2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347125qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347114qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347113qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347126qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347117qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347121qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347115qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347109qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347129qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347127qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347111qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347112qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347116qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB2012Acta crystallographica. Section F, Structural biology and crystallization communications, Jun-01, Volume: 68, Issue:Pt 6
ISSN: 1744-3091		A model for 3-methyladenine recognition by 3-methyladenine DNA glycosylase I (TAG) from Staphylococcus aureus.
AID1409704Cytoprotective activity against H2O2-induced necrosis in human HL60 cells assessed as increase in cell viability at 1 to 5 mM incubated for 1 hr followed by H2O2 stimulation measured after 3 hrs by Alamar blue assay2018ACS medicinal chemistry letters, Mar-08, Volume: 9, Issue:3
ISSN: 1948-5875		Indolylmaleimide Derivative IM-17 Shows Cardioprotective Effects in Ischemia-Reperfusion Injury.
AID1687057Inhibition of autophagy in human PANC-1 cells cultured in nutrient-deprived medium assessed as inhibition of LC3-2 expression at 5 mM after 6 hrs by Western blot analysis relative to control2018Journal of natural products, 10-26, Volume: 81, Issue:10
ISSN: 1520-6025
AID155652Inhibition of Phosphatidylinositol 4-kinase at the ATP binding site at 500 uM1990Journal of medicinal chemistry, Aug, Volume: 33, Issue:8
ISSN: 0022-2623		Purine derivatives as competitive inhibitors of human erythrocyte membrane phosphatidylinositol 4-kinase.
AID754271Binding affinity to GST-tagged Grb2 SH3C domain (unknown origin) using biotinylated Gab2b peptide as substrate at 5 mM by SDS-PAGE analysis2013Bioorganic & medicinal chemistry, Jul-15, Volume: 21, Issue:14
ISSN: 1464-3391		Novel inhibitors of a Grb2 SH3C domain interaction identified by a virtual screen.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB2003The Journal of biological chemistry, Nov-28, Volume: 278, Issue:48
ISSN: 0021-9258		Solution structure and base perturbation studies reveal a novel mode of alkylated base recognition by 3-methyladenine DNA glycosylase I.
AID1811Experimentally measured binding affinity data derived from PDB2003The Journal of biological chemistry, Nov-28, Volume: 278, Issue:48
ISSN: 0021-9258		Solution structure and base perturbation studies reveal a novel mode of alkylated base recognition by 3-methyladenine DNA glycosylase I.

Research

Studies (1,233)

TimeframeStudies, This Drug (%)All Drugs %
pre-199064 (5.19)18.7374
1990's67 (5.43)18.2507
2000's146 (11.84)29.6817
2010's833 (67.56)24.3611
2020's123 (9.98)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials1 (0.08%)5.53%
Reviews11 (0.88%)6.00%
Case Studies1 (0.08%)4.05%
Observational0 (0.00%)0.25%
Other1,242 (98.96%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
9-ethyladenine
1
1990199034.0low001000
purine
1
purine1990199034.0low001000
n(6),n(6)-dimethyladenine
1
tertiary amine1990199034.0low001000
1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
1
pyrazoles;
ring assembly		1990199034.0low001000
sq 22536
1
nucleoside analogue;
oxolanes		EC 4.6.1.1 (adenylate cyclase) inhibitor1990199034.0low001000
adenosine diphosphate
1
adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite		1990199034.0low001000
adenosine monophosphate
1
adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical		1990199034.0low001000
2-aminopurine
1
2-aminopurines;
nucleobase analogue		antimetabolite1990199034.0low001000
alpha-aminopyridine
1
1990199034.0low001000
9-benzyladenine
1
1990199034.0low001000
adenosine
1
adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent		1990199034.0low001000
benzylaminopurine
1
6-aminopurinescytokinin;
plant metabolite		1990199034.0low001000
4-aminopyrimidine
1
aminopyrimidine1990199034.0low001000
9-methyladenine
1
methyladeninemetabolite1990199034.0low001000
1-methylguanine
1
methylguanine2013201311.0low000010
6-methoxypurine
1
1990199034.0medium001000
7-methyladenine
1
methyladeninemetabolite1990199034.0low001000
1-aminoisoquinoline
1
1990199034.0low001000
4-aminopyrazolo(3,4-d)pyrimidine
1
1990199034.0low001000
4-aminoquinazoline
1
1990199034.0low001000
3-deazaadenine
1
1990199034.0low001000
methyl-thiohydantoin-tryptophan
1
organonitrogen compound;
organooxygen compound		201820186.0low000010
cyclosporine
1
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		201820186.0low000010
6-methylpurine
1
purinesEC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor1990199034.0low001000
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2h)-isoquinolinone
1
201820186.0low000010
1-methyladenine
1
1990199034.0low001000
3-amino-1H-pyrazolo[4,3-c]pyridine-4,6-diol
1
pyridone2013201311.0medium000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
9-ethyladenine
1
2002200222.0low000100
chloroacetaldehyde
1
organochlorine compound2004200420.0low000100
phosphoserine
2
non-proteinogenic alpha-amino acid;
O-phosphoamino acid;
serine derivative		human metabolite2009201213.5low000110
aminolevulinic acid
1
4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid		antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite		201920195.0low000010
acetaldehyde
2
aldehydecarcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent		2004201216.0low000110
adenine
1,217
6-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1962202212.4high0647418883259
benzyl alcohol
1
benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent		1990199034.0low001000
cadaverine
13
alkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite		2001201514.5low000850
formic acid
1
monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent		1985198539.0low010000
carnitine
1
amino-acid betainehuman metabolite;
mouse metabolite		2011201113.0low000010
methane
1
alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas		2011201113.0low000010
chlorine
1
halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite		201820186.0low000010
salicylic acid
1
monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite		2014201410.0low000010
gallic acid
1
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		1985198539.0low010000
3-hydroxybutyric acid
1
(omega-1)-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
hydroxybutyric acid		human metabolite201720177.0low000010
n(1)-methylnicotinamide
2
pyridinium ionalgal metabolite;
anti-inflammatory agent;
human urinary metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1980198541.5low020000
n(g),n(g')-dimethyl-l-arginine
1
alpha-amino acid202120213.0low000001
cytosine
3
aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1985200033.3low021000
lactic acid
2
2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite		201420178.5low000020
dimethylamine
1
methylamines;
secondary aliphatic amine		metabolite1997199727.0low001000
dimethyl sulfoxide
1
sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger		1989198935.0low010000
formaldehyde
2
aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2007201612.5low000110
glycerol
1
alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent		2006200618.0low000100
histamine
1
aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter		2012201212.0low000010
hydroquinone
2
benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent		201320179.0low000020
iodine
2
diatomic iodinenutrient201820195.5low000020
dihydroxyphenylalanine
1
hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative		human metabolite202120213.0low000001
2,3,4,5-tetrahydroxypentanal
1
hydroxyaldehyde;
pentose;
polyol		201520159.0low000010
thioctic acid
1
dithiolanes;
heterocyclic fatty acid;
thia fatty acid		fundamental metabolite;
geroprotector		201520159.0low000010
melatonin
6
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		201220216.7low000042
nickel
1
metal allergen;
nickel group element atom		epitope;
micronutrient		201620168.0low000010
niacinamide
3
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		1980201630.3low020010
niacin
1
pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		201620168.0low000010
nitrates
3
monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		1991199731.0low003000
orotic acid
1
pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite		1992199232.0low001000
oxalic acid
1
alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite		2013201311.0low000010
palmitic acid
2
long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite		201720205.5low000020
phosphorylcholine
2
phosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite		2006201513.5low000110
quinolinic acid
1
pyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist		2009200915.0low000100
spermine
2
polyazaalkane;
tetramine		antioxidant;
fundamental metabolite;
immunosuppressive agent		1994201818.0low001010
taurine
3
amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite		201420207.0low000030
thymine
2
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite		1994200126.5low001100
toluene
4
methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent		2008201813.0low000310
trimethylamine
1
methylamines;
tertiary amine		Escherichia coli metabolite;
human xenobiotic metabolite		1997199727.0low001000
uracil
1
pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite		1994199430.0low001000
xanthine
1
xanthineSaccharomyces cerevisiae metabolite2012201212.0low000010
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
1
non-proteinogenic alpha-amino acid2014201410.0low000010
1,2-dimethylhydrazine
1
hydrazinesalkylating agent;
carcinogenic agent		1980198044.0low010000
1-anilino-8-naphthalenesulfonate
2
aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe2013201410.5low000020
mercaptoethanol
1
alkanethiol;
primary alcohol		geroprotector2014201410.0low000010
3,4-methylenedioxyamphetamine
1
benzodioxoles2014201410.0low000010
n-methyl-3,4-methylenedioxyamphetamine
2
amphetamines;
benzodioxoles		neurotoxin201620196.5low000020
amitrole
2
aromatic amine;
triazoles		carotenoid biosynthesis inhibitor;
EC 1.11.1.6 (catalase) inhibitor;
herbicide		2008201015.0low000200
3-nitropropionic acid
3
C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin		2009201313.7low000210
ethylisopropylamiloride
1
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker		201620168.0low000010
5-hydroxydecanoate
1
medium-chain fatty acid202120213.0low000001
acetaminophen
1
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		2012201212.0low000010
am 251
1
amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist		202020204.0low000010
pimagedine
1
guanidines;
one-carbon compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor		2011201113.0low000010
amiodarone
1
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug2013201311.0low000010
acetovanillone
1
acetophenones;
aromatic ketone;
methyl ketone		antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite		202120213.0low000001
aristolochic acid i
1
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		2014201410.0low000010
berberine
2
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		201720215.0low000011
caffeine
1
purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic		202020204.0low000010
candesartan
1
benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		202120213.0low000001
carbamazepine
1
dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic		2014201410.0low000010
celecoxib
1
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2013201311.0low000010
chetomin
1
indoles;
organic disulfide;
organic heteropentacyclic compound		Chaetomium metabolite;
immunosuppressive agent		2010201014.0low000100
chloroquine
103
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		1985202110.9low0475816
chlorpyrifos
1
chloropyridine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic		2013201311.0low000010
citalopram
1
2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound		201620168.0low000010
dantrolene
2
hydrazone;
imidazolidine-2,4-dione		muscle relaxant;
neuroprotective agent;
ryanodine receptor antagonist		1985198638.5low020000
deferoxamine
3
acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore		1990201718.0low001020
diphenyleneiodonium
1
organic cation2013201311.0low000010
valproic acid
3
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		201320178.3low000030
carbonyl cyanide p-trifluoromethoxyphenylhydrazone
1
aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore		1984198440.0low010000
fluorouracil
12
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		200920199.8low000390
foscarnet
1
carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor		201520159.0low000010
gentamicin
3
2001202210.7low000111
gossypol
2
2010201412.0low000110
ha14-1
1
1-benzopyran2009200915.0low000100
haloperidol
1
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		201520159.0low000010
beta-thujaplicin
1
cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite		201620168.0low000010
ethidium
2
phenanthridinesfluorochrome;
intercalator		1983199634.5low011000
hydroxychloroquine
6
aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug		201320236.8low000051
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		201620168.0low000010
hypericin
1
2011201113.0low000010
indole-3-carbinol
1
indolyl alcoholantineoplastic agent;
plant metabolite		2009200915.0low000100
indomethacin
1
aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic		201720177.0low000010
iodixanol
1
organoiodine compoundradioopaque medium201820186.0low000010
iohexol
3
benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic		201620187.0low000030
isoproterenol
3
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		201120179.7low000030
juglone
1
hydroxy-1,4-naphthoquinonegeroprotector;
herbicide;
reactive oxygen species generator		201820186.0low000010
kinetin
1
6-aminopurines;
furans		cytokinin;
geroprotector		2002200222.0low000100
lamotrigine
1
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		201520159.0low000010
beta-lapachone
2
benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		2011201312.0low000020
letrozole
1
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2012201212.0low000010
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
20
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		1997201914.0low0011090
metformin
2
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic		201420169.0low000020
methoxsalen
1
aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite		2014201410.0low000010
nocodazole
2
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		1994200226.0low001100
methyl methanesulfonate
20
methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen		1980201626.8low049430
mitoxantrone
1
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		201720177.0low000010
monodansylcadaverine
12
aminonaphthalene;
primary amino compound;
sulfonamide;
tertiary amino compound		EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor;
fluorochrome;
protective agent		2001201514.4low000750
n(1),n(11)-diethylnorspermine
1
201820186.0low000010
ethylmaleimide
3
maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor		1989200525.7low010200
netropsin
12
1998201419.6low003810
nifedipine
1
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2012201212.0low000010
olomoucine
1
2,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor2002200222.0low000100
oxidopamine
1
benzenetriol;
catecholamine;
primary amino compound		drug metabolite;
human metabolite;
neurotoxin		2013201311.0low000010
quinone
1
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite		201520159.0low000010
pd 98059
6
aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2007201912.5low000330
4-phenylbutyric acid
2
monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug		201620187.0low000020
pifithrin
4
aromatic ketone2008201813.0low000310
potassium chloride
2
inorganic chloride;
inorganic potassium salt;
potassium salt		fertilizer1981198541.0low020000
propidium
2
phenanthridines;
quaternary ammonium ion		fluorochrome;
intercalator		2009201213.5low000110
propofol
2
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		201820195.5low000020
sevoflurane
2
ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor		201420178.5low000020
vorinostat
1
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		2010201014.0low000100
sulforaphane
4
isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite		2010201510.8low000130
temozolomide
3
imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug		200420238.7low000111
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate
1
trihydroxybenzoic acid1985198539.0low010000
trifluoperazine
2
N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug		2008201015.0low000200
pirinixic acid
1
aryl sulfide;
organochlorine compound;
pyrimidines		2014201410.0low000010
2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2h-tetrazolium hydroxide
1
2014201410.0low000010
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
1
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		2013201311.0low000010
mitomycin
1
mitomycinalkylating agent;
antineoplastic agent		2011201113.0low000010
thyroxine
1
2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone		1986198638.0low010000
2-acetylaminofluorene
2
2-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen		1984198539.5low020000
pentylenetetrazole
1
organic heterobicyclic compound;
organonitrogen heterocyclic compound		201820186.0low000010
diethylnitrosamine
1
nitrosaminecarcinogenic agent;
hepatotoxic agent;
mutagen		1985198539.0low010000
carbon tetrachloride
3
chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant		2012201710.0low000030
alanine
1
alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite		2012201212.0low000010
serine
5
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2003202011.6low000140
chloramphenicol
1
C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor		2014201410.0low000010
glutamine
2
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		2012201610.0low000020
sucrose
16
glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent		1984201531.1low0110320
adenosine diphosphate
1
adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite		2014201410.0low000010
phenylethyl alcohol
2
benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite		201120189.5low000020
tyrosine
5
amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical		1991202019.6low002120
adenosine monophosphate
1
adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical		202120213.0low000001
leucine
10
amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1988201618.0low012160
ethyl methanesulfonate
1
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent		1993199331.0low001000
dimethylnitrosamine
7
nitrosaminegeroprotector;
mutagen		1980201536.1low051010
androstenedione
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		2014201410.0low000010
lactose
2
lactose1986198936.5low020000
methionine
3
aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical		1983198938.3low030000
phenylalanine
1
amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		1987198737.0low010000
colchicine
6
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		1986201625.8low013110
cycloheximide
13
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		1984202022.8low023440
chloroform
1
chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant		201820186.0low000010
sodium citrate, anhydrous
1
organic sodium saltanticoagulant;
flavouring agent		201520159.0low000010
cytarabine
3
beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent		2002201812.7low000120
asparagine
2
amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		1993201221.5low001010
histidine
2
amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		1990201024.0low001100
valine
1
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		2013201311.0low000010
threonine
1
amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
arginine
1
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical		202120213.0low000001
ethylene
1
alkene;
gas molecular entity		plant hormone;
refrigerant		2009200915.0low000100
methylamine
6
methylamines;
one-carbon compound;
primary aliphatic amine		mouse metabolite1985200631.3low031200
2-propylamine
1
alkylamines;
primary aliphatic amine		1983198341.0low010000
methanesulfonic acid
1
alkanesulfonic acid;
one-carbon compound		Escherichia coli metabolite2003200321.0low000100
tert-butylhydroperoxide
3
alkyl hydroperoxideantibacterial agent;
oxidising agent		1990201622.3low002010
gibberellic acid
1
C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite		2014201410.0low000010
dimethyl sulfate
9
alkyl sulfatealkylating agent;
immunosuppressive agent		1986201525.9low033210
taurocholic acid
1
amino sulfonic acid;
bile acid taurine conjugate		human metabolite201620168.0low000010
rotenone
5
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		201420216.2low000032
pyocyanine
1
iminium betaine;
phenazines		antibacterial agent;
bacterial metabolite;
biological pigment;
virulence factor		2012201212.0low000010
quinoxalines
2
mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene		201520178.0low000020
4-butyrolactone
1
butan-4-olidemetabolite;
neurotoxin		201620168.0low000010
trehalose
9
trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201020219.4low000171
quinuclidines
1
quinuclidines;
saturated organic heterobicyclic parent		202020204.0low000010
acrylonitrile
1
aliphatic nitrile;
volatile organic compound		antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent		201620168.0low000010
melamine
2
triamino-1,3,5-triazinexenobiotic metabolite201520168.5low000020
pyrroles
3
pyrrole;
secondary amine		201320178.3low000030
diethylhexyl phthalate
1
diester;
phthalate ester		androstane receptor agonist;
apoptosis inhibitor;
plasticiser		201720177.0low000010
framycetin
1
aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite		201720177.0low000010
pyrazolanthrone
6
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		200720219.2low000141
2-naphthol
1
naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger		2012201212.0low000010
4-nitrosodimethylaniline
1
dimethylaniline;
nitroso compound;
tertiary amino compound		1997199727.0low001000
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt
2
organic molecular entity2008201612.0low000110
catechin
3
catechinantioxidant;
plant metabolite		201620177.7low000030
perylene
1
ortho- and peri-fused polycyclic arene;
perylenes		2011201113.0low000010
quinazolines
10
azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines		201320218.2low000091
indazoles
2
indazole2013201311.0low000020
adamantane
1
adamantanes;
polycyclic alkane		2010201014.0low000100
cyclopentane
2
cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent1997199727.0low002000
isoxazoles
1
isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		201920195.0low000010
thiazoles
5
1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		2012201810.0low000050
pyrazines
8
diazine;
pyrazines		Daphnia magna metabolite2009201411.9low000260
azacitidine
1
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent2000200024.0low001000
aminoimidazole carboxamide
1
aminoimidazole;
monocarboxylic acid amide		mouse metabolite201920195.0low000010
citrulline
1
amino acid zwitterion;
citrulline		Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite		2011201113.0low000010
kainic acid
1
dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist		2008200816.0low000100
mustard gas
1
ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant		1989198935.0low010000
oleanolic acid
2
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite202020213.5low000011
dihydrotestosterone
1
17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		2001200123.0low000100
tropolone
1
alpha-hydroxy ketone;
cyclic ketone;
enol		bacterial metabolite;
fungicide;
toxin		201620168.0low000010
malondialdehyde
6
dialdehydebiomarker201020197.3low000150
neutral red
1
hydrochlorideacid-base indicator;
dye;
two-colour indicator		1996199628.0low001000
linamarin
1
beta-D-glucoside2008200816.0low000100
3-hydroxyflavone
1
flavonols;
monohydroxyflavone		201520159.0low000010
methyl pyruvate
1
methyl ester;
pyruvate ester		201720177.0low000010
acetylcysteine
32
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		200120219.6low0007241
dicarbethoxydihydrocollidine
1
dihydropyridine;
ethyl ester		hepatic steatosis inducing agent2007200717.0low000100
methylnitrosourea
15
N-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent		1980200035.1low096000
2-chloroethyl ethyl sulfide
1
1989198935.0low010000
ethylnitrosourea
1
N-nitrosoureasalkylating agent;
carcinogenic agent;
genotoxin;
mutagen		1980198044.0low010000
deoxycytidine
6
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2010201910.3low000240
tetradecyltrimethylammonium
1
201620168.0low000010
pyridine-2-carboxaldehyde
1
pyridinecarbaldehyde2013201311.0low000010
arsenic trioxide
8
2008202110.4low000251
paraquat
3
organic cationgeroprotector;
herbicide		2008201114.3low000210
2-tert-butylhydroquinone
1
hydroquinonesfood antioxidant201520159.0low000010
amiloride
2
aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker		1990201621.0low001010
pimozide
1
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		202020204.0low000010
thymine glycol
1
hydroxypyrimidine2001200123.0low000100
fluorescein-5-isothiocyanate
3
fluorescein isothiocyanate2006201612.7low000120
mannose
2
D-aldohexose;
D-mannose;
mannopyranose		metabolite1987199334.0low011000
dithiothreitol
2
1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent		2011201610.5low000020
2-tert-butyl-4-quinone
1
201520159.0low000010
mono-(2-ethylhexyl)phthalate
1
phthalic acid monoester201720177.0low000010
buthionine sulfoximine
1
diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer		2013201311.0low000010
vidarabine
1
beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic		2013201311.0low000010
n-methylaspartate
2
amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent2010201213.0low000110
manganese
1
elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient		201820186.0low000010
platinum
1
elemental platinum;
nickel group element atom;
platinum group metal atom		202020204.0low000010
ruthenium
1
iron group element atom;
platinum group metal atom		2012201212.0low000010
silver
1
copper group element atom;
elemental silver		Escherichia coli metabolite201520159.0low000010
tantalum
1
vanadium group element atom201720177.0low000010
titanium
2
titanium group element atom201620168.0low000020
cadmium
3
cadmium molecular entity;
zinc group element atom		2001202110.0low000111
europium
1
f-block element atom;
lanthanoid atom		201520159.0low000010
gold
3
copper group element atom;
elemental gold		201520177.7low000030
meladrazine
4
1990199133.2low004000
galactosamine
1
D-galactosamine;
primary amino compound		toxin2014201410.0low000010
camptothecin
5
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		201420187.8low000050
deuterium
1
dihydrogen1993199331.0low001000
ammonium chloride
11
ammonium salt;
inorganic chloride		ferroptosis inhibitor1984201920.5low031430
arabinofuranosylcytosine triphosphate
1
2002200222.0low000100
titanium dioxide
1
titanium oxidesfood colouring201620168.0low000010
1-methyladenosine
1
methyladenosinehuman metabolite201920195.0low000010
tetradecanoylphorbol acetate
4
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator		2010201810.0low000130
1-deoxynojirimycin
1
2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid		anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite		1989198935.0low010000
phenyl acetate
1
benzenes;
phenyl acetates		202220222.0low000001
triamcinolone
1
11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		201620168.0low000010
transferrin
2
2004200619.0low000200
glutamic acid
1
glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical		201620168.0low000010
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
paclitaxel
8
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		200920229.0low000161
etoposide
4
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2004201614.5low000220
2,5,2',5'-tetrachlorobiphenyl
1
dichlorobenzene;
tetrachlorobiphenyl		201620168.0low000010
bezafibrate
1
aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		1997199727.0low001000
1-methyl-4-phenylpyridinium
2
pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin		201420178.5low000020
ng-nitroarginine methyl ester
3
alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor201120217.7low000021
deoxynivalenol
1
cyclic ketone;
enone;
primary alcohol;
secondary alpha-hydroxy ketone;
trichothecene;
triol		mycotoxin202020204.0low000010
7,8-dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
1
epoxideintercalator2001200123.0low000100
epirubicin
2
aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		201520178.0low000020
dihydroalprenolol
1
2011201113.0low000010
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone
1
nitrosamine;
pyridines		2014201410.0low000010
colforsin
1
acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist		2005200519.0low000100
simvastatin
5
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug		200820209.4low000140
n-(2-hydroxyethyl)-n-carboxymethylnitrosamine
1
1993199331.0low001000
raloxifene hydrochloride
1
hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		201520159.0low000010
gemcitabine
5
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		2010201910.2low000230
valsartan
1
biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2013201311.0low000010
adenosine
2
adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent		201220198.5low000020
3-n-butylphthalide
1
benzofurans2014201410.0low000010
dimethylhydrazines
1
1980198044.0low010000
acridine orange
4
aminoacridines;
aromatic amine;
tertiary amino compound		fluorochrome;
histological dye		2001201317.5low000310
efavirenz
1
acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor		2014201410.0low000010
nelfinavir
1
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		201520159.0low000010
glucose, (beta-d)-isomer
1
D-glucopyranoseepitope;
mouse metabolite		201920195.0low000010
chloroquine diphosphate
2
201420188.0low000020
thiazolyl blue
3
organic bromide saltcolorimetric reagent;
dye		2012201311.7low000030
arctigenin
1
lignan202020204.0low000010
baicalin
1
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		2013201311.0low000010
5-methylcytosine
2
methylcytosine;
pyrimidines		human metabolite1987200030.5low011000
25-hydroxycholesterol
1
25-hydroxy steroid;
oxysterol		human metabolite202120213.0low000001
aica ribonucleotide
1
1-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole		cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		201920195.0low000010
salvin
1
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		201520159.0low000010
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
1
gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger		2009200915.0low000100
o-(6)-methylguanine
18
methylguaninemutagen1980201335.8low0133110
pyrrolidine dithiocarbamate
1
dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger		2011201113.0low000010
glutathione disulfide
1
glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite		201520159.0low000010
aloxistatin
2
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		2007201115.0low000110
telmisartan
1
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		202120213.0low000001
2-methoxyestradiol
2
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		2008201114.5low000110
naphthalimides
1
202120213.0low000001
triazoles
1
1,2,3-triazole2012201212.0low000010
6-methyladenine
2
6-alkylaminopurine;
methyladenine		human metabolite1987201523.0low010010
harmol
1
harmala alkaloid2011201113.0low000010
9-methyladenine
1
methyladeninemetabolite201520159.0low000010
1-methylguanine
1
methylguanine201920195.0low000010
3,5-dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine
1
2007200717.0low000100
7-methyladenine
4
methyladeninemetabolite1989201721.8high011020
olaquindox
1
quinoxaline derivative201520159.0low000010
ubenimex
2
201520168.5low000020
honokiol
2
biphenyls201620187.0low000020
narciclasine
1
phenanthridinesmetabolite202120213.0low000001
leupeptin
15
aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor		1985201726.1low053520
calpeptin
2
amino acid amide201320198.0low000020
3,4-methylenedioxyphenethylamine
1
2014201410.0low000010
3-methylguanine
9
3-methylguanine1985201230.4high043110
3,4-dihydroxyphenylethanol
1
catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite		201820186.0low000010
4-phenylbutylamine
1
benzenes;
phenylalkylamine;
primary amino compound		201820186.0low000010
nicotine
3
3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic		201420206.0low000030
homocysteine
1
amino acid zwitterion;
homocysteine;
serine family amino acid		fundamental metabolite;
mouse metabolite		201920195.0low000010
glycidyl nitrate
1
201820186.0low000010
pyrimidine dimers
1
2002200222.0low000100
6'-o-methylguanosine
1
2000200024.0low001000
phorbolol myristate acetate
1
201820186.0low000010
nimbolide
1
201620168.0low000010
fangchinoline
1
201720177.0low000010
cobalt
2
cobalt group element atom;
metal allergen		micronutrient201720186.5low000020
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol
1
nitrosamine;
pyridines;
secondary alcohol		biomarker;
carcinogenic agent;
human urinary metabolite		2014201410.0low000010
1,n(6)-ethenoadenine
4
imidazo[2,1-i]purinemutagen1992201124.5low002110
6-hydroxydopa
1
non-proteinogenic alpha-amino acid202120213.0low000001
procyanidin
2
proanthocyanidin201620168.0low000020
epicatechin gallate
1
catechin;
gallate ester;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite		201720177.0low000010
fingolimod hydrochloride
1
hydrochlorideimmunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist		2013201311.0low000010
dihydrocapsaicin
2
capsaicinoid2008201015.0low000200
triptolide
2
diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite		201320188.5low000020
deoxyglucose
6
201320218.2low000051
tanshinone
1
abietane diterpenoidanticoronaviral agent2014201410.0low000010
ginsenoside rh2
1
12beta-hydroxy steroid;
20-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
hepatoprotective agent;
plant metabolite		201620168.0low000010
5-oxo-prolyl-glycyl-arginine-4-nitroanilide
1
1990199034.0low001000
celastrol
1
monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite		2014201410.0low000010
peroxynitrous acid
1
nitrogen oxoacid202020204.0low000010
imatinib mesylate
4
methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		200920219.8low000121
gefitinib
4
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		201320178.8low000040
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
2
leucine derivative2011201511.0low000020
angiotensin ii, des-phe(8)-
1
amino acid zwitterion;
angiotensin		vasodilator agent201620168.0low000010
2-chloro-n(6)cyclopentyladenosine
1
2012201212.0low000010
n,n-dimethylarginine
1
dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor202120213.0low000001
e 64
1
dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor		2014201410.0low000010
tetrahydrocurcumin
1
beta-diketone;
diarylheptanoid;
polyphenol		metabolite2011201113.0low000010
histamine trifluoromethyl-toluidide
1
(trifluoromethyl)benzenes2012201212.0low000010
methotrexate
1
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		201520159.0low000010
abiraterone
1
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor		201920195.0low000010
m 8218
1
202020204.0low000010
3-methylcytosine
1
aminopyrimidine;
methylcytosine;
pyrimidone		metabolite1985198539.0low010000
docetaxel anhydrous
4
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent		201420169.0low000040
evodiamine
1
beta-carbolines2013201311.0low000010
mn(iii) 5,10,15,20-tetrakis(n-methylpyridinium-2-yl)porphyrin
1
2013201311.0low000010
ruboxistaurin
1
202020204.0low000010
cinacalcet
1
(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound		calcimimetic;
P450 inhibitor		201820186.0low000010
hydroxyl radical
2
oxygen hydride;
oxygen radical;
reactive oxygen species		2011201113.0low000020
justicidin a
1
lignan201520159.0low000010
ampelopsin
1
dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite		201520159.0low000010
biotin
1
biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite		1988198836.0low010000
angiotensin ii
4
amino acid zwitterion;
angiotensin II		human metabolite201720224.2low000022
sb 203580
3
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		200720219.3low000111
erlotinib hydrochloride
1
hydrochloride;
terminal acetylenic compound		antineoplastic agent;
protein kinase inhibitor		201620168.0low000010
organophosphonates
1
divalent inorganic anion;
phosphite ion		2014201410.0low000010
aflatoxin b1
2
aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite		1981198441.5low020000
troleandomycin
1
acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic		2007200717.0low000100
lapatinib
1
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
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		201620215.5low000011
deoxycholic acid
1
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human blood serum metabolite2008200816.0low000100
3-nitrotyrosine
3
2-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid		1991201524.3low002010
anisomycin
1
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor		2003200321.0low000100
benzofurans
4
201420197.8low000040
cyclovirobuxine d
1
2014201410.0low000010
5-formyluracil
1
aldehyde;
nucleobase analogue;
pyrimidone		human metabolite;
mutagen		1994199430.0low001000
wortmannin
37
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		1997202013.4low00215200
graveoline
1
quinolines2014201410.0low000010
2,5-bis(5-hydroxymethyl-2-thienyl)furan
2
thiophenes201320179.0low000020
taurochenodeoxycholic acid
3
bile acid taurine conjugatehuman metabolite;
mouse metabolite		201320179.7low000030
bortezomib
10
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		2009201711.0low000280
bardoxolone methyl
1
cyclohexenones202120213.0low000001
gant 61
1
aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor		201520159.0low000010
leupeptins
35
1984202218.9low07310141
lithium chloride
4
inorganic chloride;
lithium salt		antimanic drug;
geroprotector		201120189.2low000040
glycogen
2
201420188.0low000020
fibrin
1
peptide1990199034.0low001000
glucosamine
4
D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite		1989201814.5low010030
raffinose
2
raffinose family oligosaccharide;
trisaccharide		mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1986199732.5low011000
ouabain
1
11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite		1993199331.0low001000
puromycin
1
puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor		1991199133.0low001000
5-methyldeoxycytidine
1
2'-deoxycytidine2013201311.0low000010
monensin
4
cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore		1993201221.2low001210
ginsenoside rg1
1
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		neuroprotective agent;
pro-angiogenic agent		2014201410.0low000010
naringin
1
(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite		201720177.0low000010
lignans
6
201420207.2low000060
schizandrin c
1
tannin201820186.0low000010
acetylleucyl-leucyl-norleucinal
2
aldehyde;
tripeptide		cysteine protease inhibitor2012201411.0low000020
teprotide
1
peptide2005200519.0low000100
sodium arsenite
1
arsenic molecular entity;
inorganic sodium salt		antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide		201520159.0low000010
metrizamide
1
amino sugar1985198539.0low010000
betadex
2
cyclodextrin201520159.0low000020
trichostatin a
1
antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector		2014201410.0low000010
tretinoin
3
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		2008201512.7low000120
arachidonic acid
1
icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid		Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite		2013201311.0low000010
resveratrol
7
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		201320217.4low000061
oleic acid
5
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent		201220207.8low000050
tacrolimus
2
macrolide lactambacterial metabolite;
immunosuppressive agent		201620187.0low000020
ferulic acid
1
ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite		202020204.0low000010
pectins
1
D-galactopyranuronic acid201520159.0low000010
cocaine
1
benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic		201520159.0low000010
eicosapentaenoic acid
1
icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2014201410.0low000010
thapsigargin
6
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		2009201710.7low000150
mycophenolic acid
1
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic		201920195.0low000010
h 89
1
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide2013201311.0low000010
melphalan
2
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2011201312.0low000020
benzyloxycarbonylleucyl-leucyl-leucine aldehyde
18
amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor2001202211.6low0006111
schizandrin
1
2014201410.0low000010
mg 262
1
2007200717.0low000100
glycosides
2
201820205.0low000020
piplartine
1
cinnamamides;
dicarboximide		201520159.0low000010
stilbenes
9
stilbene201020189.7low000180
isoliquiritigenin
1
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		201720177.0low000010
hirsutanol a
1
2010201014.0medium000100
acetyl-aspartyl-glutamyl-valyl-aspartal
1
tetrapeptideprotease inhibitor2006200618.0low000100
isopropyl thiogalactoside
1
S-glycosyl compound1996199628.0low001000
fludarabine
1
purine nucleoside2013201311.0low000010
sesquiterpenes
4
2010201910.2low000130
n-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
1
carbonyl compound;
organohalogen compound		201520159.0low000010
cotinine
1
N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite		2014201410.0low000010
curcumin
8
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		201120227.8low000062
2-[[benzamido(sulfanylidene)methyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid
1
thienopyran201920195.0low000010
thiohydantoins
1
202020204.0low000010
sulindac
1
monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent		2001200123.0low000100
capsaicin
2
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker		2008201015.0low000200
thioguanine anhydrous
1
2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent		1993199331.0low001000
thiourea
4
one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore		2008201910.2low000130
thioacetamide
1
thiocarboxamidehepatotoxic agent2012201212.0low000010
unithiol
1
201520159.0low000010
succimer
1
dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid		chelator201520159.0low000010
fumonisin b1
1
diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite		2014201410.0low000010
tamoxifen
4
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		2007201512.0low000130
nadp
1
2013201311.0low000010
sirtinol
1
aldimine;
benzamides;
naphthols		anti-inflammatory agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Sir2 inhibitor		2012201212.0low000010
methyl-thiohydantoin-tryptophan
4
organonitrogen compound;
organooxygen compound		2012201610.5low000040
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine
1
201720177.0low000010
u 0126
4
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		2011201510.2low000040
cobaltous chloride
2
cobalt salt;
inorganic chloride		allergen;
calcium channel blocker;
sensitiser;
two-colour indicator		201720186.5low000020
oxalylglycine
1
amino dicarboxylic acid;
N-acylglycine		EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor201720177.0low000010
cytellin
1
201520159.0low000010
ginsenosides
4
201320169.2low000040
phosphothreonine
1
L-threonine derivative;
non-proteinogenic L-alpha-amino acid;
O-phosphoamino acid		Escherichia coli metabolite2012201212.0low000010
ovalbumin
3
201720224.3low000021
zinc protoporphyrin ix
1
201820186.0low000010
3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3h)-quinazolinone
1
2013201311.0low000010
alpha-chymotrypsin
1
2013201311.0low000010
ferrostatin-1
1
ethyl ester;
primary arylamine;
substituted aniline		antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger		202220222.0low000001
naphthoquinones
4
2011201810.0low000040
am 630
1
N-acylindole202020204.0low000010
sc 560
1
aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug		2009200915.0low000100
ex 527
1
carbazoles;
monocarboxylic acid amide;
organochlorine compound		2013201311.0low000010
ku 55933
1
201920195.0low000010
sphingosine
3
sphing-4-eninehuman metabolite;
mouse metabolite		2011201511.0low000030
quercetin
6
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		201220197.7low000060
apigenin
1
trihydroxyflavoneantineoplastic agent;
metabolite		2014201410.0low000010
luteolin
1
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		201620168.0low000010
calcitriol
4
D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical		1990201717.8low001120
cholecalciferol
1
D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite		201620168.0low000010
kaempferol
1
7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite		201620168.0low000010
harmine
1
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite		2011201113.0low000010
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2009200915.0low000100
astaxanthine
1
carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite		202120213.0low000001
isobavachalcone
1
chalcones;
polyphenol		antibacterial agent;
metabolite;
platelet aggregation inhibitor		2012201212.0low000010
sulfuretin
1
1-benzofurans201920195.0low000010
azadirachtin
1
acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol		hepatoprotective agent2012201212.0low000010
cucurbitacin d
1
cucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		201620168.0low000010
baicalein
2
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		201720186.5low000020
diosmetin
1
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		202020204.0low000010
galangin
1
7-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite		202020204.0low000010
mangostin
1
aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite		201720177.0low000010
3-methylquercetin
1
7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite		201520159.0low000010
wogonin
1
dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite		2012201212.0low000010
pterostilbene
3
diether;
methoxybenzenes;
stilbenol		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger		2010201411.3low000120
caffeic acid phenethyl ester
1
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		2011201113.0low000010
anandamide
1
endocannabinoid;
N-acylethanolamine 20:4		human blood serum metabolite;
neurotransmitter;
vasodilator agent		202020204.0low000010
geranylgeranylacetone
1
2011201113.0low000010
pitavastatin
1
cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant2009200915.0low000100
4-hydroxy-2-nonenal
4
4-hydroxynon-2-enal;
4-hydroxynonenal		2010201710.2low000130
sphingosine 1-phosphate
1
sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent		2011201113.0low000010
sirolimus
203
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		199520229.0low0012416414
brefeldin a
2
macrolide antibioticPenicillium metabolite1997199727.0low002000
seocalcitol
1
2005200519.0low000100
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin
1
1,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound		Hsp90 inhibitor2010201014.0low000100
morphine
1
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic		202120213.0low000001
dexmedetomidine
1
medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative		202020204.0low000010
cytochalasin b
3
cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor		1986201426.3low011010
licochalcone a
1
chalcones201520159.0low000010
casein kinase ii
1
201720177.0low000010
fosbretabulin
1
2014201410.0low000010
lead
1
carbon group element atom;
elemental lead;
metal atom		neurotoxin201820186.0low000010
sulindac sulfide
1
aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug		2001200123.0low000100
bay 11-7082
1
nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor		201820186.0low000010
rubidium
1
alkali metal atom1992199232.0low001000
trimethyltin
1
2012201212.0low000010
6-chloropurine
1
purines2012201212.0low000010
arsenic
7
metalloid atom;
pnictogen		micronutrient2008201611.4low000250
monocrotophos
1
alkenyl phosphate;
dialkyl phosphate;
monocarboxylic acid amide;
organophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor		201820186.0low000010
7-hydroxy-4-trifluoromethylcoumarin
1
201720177.0low000010
xantocillin
1
2012201212.0low000010
warangalone
1
202120213.0medium000001
puerarin
3
C-glycosyl compound;
isoflavonoid		201520216.3low000021
sinomenine
1
morphinane alkaloid201520159.0low000010
cysteine
1
cysteiniumfundamental metabolite2003200321.0low000100
pepstatin
5
pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor		2001201514.6low000320
ici 118551
1
aromatic ether;
indanes;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist2011201113.0low000010
z-val-ala-asp(ome)-fluoromethylketone
1
carbamate ester;
organofluorine compound;
tripeptide		apoptosis inhibitor;
protease inhibitor		2009200915.0low000100
bafilomycin a
11
2007201910.4low000290
carbocyanines
1
cyanine dye;
organic iodide salt		fluorochrome201920195.0low000010
salubrinal
2
aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas		2012201610.0low000020
gw-5074
1
2007200717.0low000100
selenium
1
chalcogen;
nonmetal atom		micronutrient201920195.0low000010
dizocilpine maleate
1
maleate salt;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		201520159.0low000010
citreoviridin
1
2-pyranones201520159.0low000010
bafilomycin a1
67
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		200420219.8low00013513
involucrin
1
2011201113.0low000010
sphingosine phosphorylcholine
1
201520159.0low000010
concanamycin a
1
carbamate ester;
concanamycin		antifungal agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
metabolite		201520159.0low000010
manumycin
2
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antiatherosclerotic agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
marine metabolite		2007200717.0low000200
thermozymocidin
1
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		201720177.0low000010
oxadin
1
201920195.0low000010
everolimus
2
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		2014201410.0low000020
salvianolic acid B
2
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		201620168.0low000020
(melle-4)cyclosporin
1
2009200915.0low000100
tanespimycin
2
1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		201520206.5low000020
beta-escin
4
2006202010.8low000130
s-nitroso-n-acetylpenicillamine
1
nitroso compound;
nitrosothio compound		nitric oxide donor;
vasodilator agent		202020204.0low000010
lactacystin
6
lactam;
S-substituted L-cysteine		2001201714.8low000420
ca 074 methyl ester
1
2010201014.0low000100
morphinans
1
isoquinoline alkaloid fundamental parent;
morphinane alkaloid		201520159.0low000010
dutasteride
1
(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam		antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor		202120213.0low000001
beta-elemene
1
beta-elemeneantineoplastic agent2012201212.0low000010
xct790
1
cinnamamides201820186.0low000010
staurosporine
1
ammonium ion derivative2010201014.0low000100
bufalin
1
14beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug		201820186.0low000010
abiraterone acetate
1
pyridines;
sterol ester		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor;
prodrug		201920195.0low000010
sincalide
1
oligopeptide201520159.0low000010
etomoxir
1
aromatic ether2012201212.0low000010
ursodoxicoltaurine
3
bile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent		201320179.7low000030
ginsenoside m1
1
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite		2013201311.0low000010
gambogic acid
1
pyranoxanthonesmetabolite201720177.0low000010
elisidepsin
1
cyclodepsipeptideantineoplastic agent2011201113.0low000010
pi103
1
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		2010201014.0low000100
ginsenoside rb1
1
ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger		2014201410.0low000010
ginsenoside rg3
1
ginsenoside;
glycoside;
tetracyclic triterpenoid		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite		201620168.0low000010
tocotrienols
1
diterpenoid201520159.0low000010
cp 31398
1
2013201311.0low000010
u 18666a
1
hydrochlorideantiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor		2005200519.0low000100
g(m1) ganglioside
1
alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine;
sialotetraosylceramide		2008200816.0low000100
osu 03012
1
antibiotic antifungal drug;
aromatic amide;
glycine derivative;
organofluorine compound;
phenanthrenes;
pyrazoles		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		2008200816.0low000100
sepantronium
1
organic cation2014201410.0low000010
artenimol
1
201820186.0low000010
alpha-synuclein
7
201220189.9low000070
ngr peptide
1
201920195.0low000010
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone
1
chalcones;
monomethoxybenzene;
resorcinols		EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite		2011201113.0low000010
1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one
1
diarylheptanoid202120213.0low000001
heptelidic acid
1
2014201410.0low000010
calpain inhibitor iii
2
201320217.0low000011
wp1066
1
201520159.0low000010
erastin
1
aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide		antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor		201820186.0low000010
epoxomicin
3
morpholines;
tripeptide		proteasome inhibitor2008201512.0low000120
abt-737
1
aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		2014201410.0low000010
nvp-aew541
1
201720177.0low000010
dorsomorphin
2
aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor		201120208.5low000020
losartan potassium
1
201820186.0low000010
calcimycin
2
benzoxazole1985201026.5low010100
sepharose
1
1993199331.0low001000
cinobufagin
1
steroid lactone201920195.0low000010
dactolisib
3
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		2013201510.3low000030
santalol
1
202120213.0low000001
acid phosphatase
5
1984201129.8low022010
lyoniside
1
201520159.0low000010
2-aminoindan-2-phosphonic acid
1
2014201410.0low000010
cytochrome c-t
22
2003201911.7low0007150
ceruletide
1
oligopeptidediagnostic agent;
gastrointestinal drug		201920195.0low000010
atrial natriuretic factor
1
polypeptide201620168.0low000010
glucagon
2
peptide hormone1988199134.5low011000
phosphatidylcholines
1
1,2-diacyl-sn-glycero-3-phosphocholine2006200618.0low000100
atractyloside
1
1989198935.0low010000
dihydroceramide
1
201720177.0low000010
sphingosine kinase
2
2006201016.0low000200
calpain
8
2001202112.1low000431
lucifer yellow
2
organic lithium saltfluorochrome1994199927.5low002000
oleracein e
1
201720177.0medium000010
bucladesine
1
3',5'-cyclic purine nucleotide1993199331.0low001000
sodium nitrite
1
inorganic sodium salt;
nitrite salt		antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison		201520159.0low000010
mersalyl
1
1985198539.0low010000
cortisol succinate, sodium salt
1
organic molecular entity1990199034.0low001000
cx 4945
1
201720177.0low000010
s-adenosylmethionine
2
organic cation;
sulfonium compound		coenzyme;
cofactor;
human metabolite;
micronutrient;
Mycoplasma genitalium metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		1982198242.0low020000
apalutamide
1
202020204.0low000010
mk 2206
1
organic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2014201410.0low000010
cardiovascular agents
2
202020223.0low000011
apelin-13 peptide
1
oligopeptideantihypertensive agent;
autophagy inhibitor;
biomarker;
human metabolite;
neuroprotective agent		201720177.0low000010
emd1214063
1
2013201311.0low000010
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol
1
benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor		2014201410.0low000010
4-hydroxy-5-nitrophenyl acetic acid
1
monocarboxylic acid anion201520159.0low000010
glycolipids
1
202020204.0low000010
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester
1
carbamate ester201620168.0low000010
piperidines
2
201320207.5low000020
interleukin-8
3
201320169.0low000030
phillyrin
1
201920195.0low000010
colistin
1
201520159.0low000010
exenatide
4
201420216.8low000031
ophiopogonin b
1
steroid saponin2013201311.0medium000010
chymostatin
1
1990199034.0low001000
spautin-1
4
201520216.2low000031
armillaridin
1
benzoate ester;
sesquiterpenoid		201920195.0medium000010
natriuretic peptide, brain
1
polypeptide201720177.0low000010
7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1h-indol-5-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine
1
202020204.0low000010
ascorbic acid
4
ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent		1990202013.0low001030
tetracycline
1
2012201212.0low000010
minocycline
2
201120218.0low000011
mobic
1
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		201520159.0low000010
warfarin
2
benzenes;
hydroxycoumarin;
methyl ketone		2005201713.0low000110
epidermal growth factor
9
1985201520.2low011430
transforming growth factor beta
1
201820186.0low000010
okadaic acid
2
ketal1993200823.5low001100
3-(4-chlorophenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)amide
1
2010201014.0low000100
cyclin d1
1
2014201410.0low000010
caseins
2
1986201921.5low010010
mitotracker green fm
1
2012201212.0low000010
oligomycins
3
1990202115.7low001011
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone
22
2003201813.3low00011110
nitrophenols
2
201420159.5low000020
angiotensin i
1
angiotensin;
peptide zwitterion		human metabolite;
neurotransmitter agent		201620168.0low000010
nephrin
2
201620187.0low000020
oridonin
4
2006201315.8low000310
gibberellins
1
2014201410.0low000010
t-2 toxin
1
201920195.0low000010
cyclosporine
1
2009200915.0low000100
silybin
6
2010201711.8low000150
lactoferrin
1
202020204.0low000010
digitonin
3
1985198638.7low030000
nedaplatin
1
201520159.0low000010
amyloid beta-peptides
1
201920195.0low000010
deoxyguanosine
1
purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201520159.0low000010
guanosine triphosphate
1
guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor		201620168.0low000010
guanine
57
2-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1980201930.2low02517690
guanosine
4
guanosines;
purines D-ribonucleoside		fundamental metabolite1981201921.5low011110
hypoxanthine
2
nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite1987200130.0low010100
1-methyladenine
1
1989198935.0low010000
7-methylguanine
48
7-methylguanine1980201929.6medium01916580
rifampin
1
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		1992199232.0low001000
dacarbazine
2
dacarbazine2000200422.0low001100
allopurinol
1
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		2013201311.0low000010
3-benzyladenine
1
1993199331.0medium001000
2'-o-methylguanosine
1
methylguanosinemetabolite201920195.0low000010
pemetrexed
2
N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor		201420159.5low000020
loxoribine
1
2010201014.0low000100
1-hydroxyphenazine
1
phenazines2012201212.0low000010
8-hydroxyguanine
2
oxopurine2001201516.0low000110
8-methylguanine
1
1999199925.0low001000
3-ethyladenine
4
1990199830.0high004000
methylnitronitrosoguanidine
5
nitroso compoundalkylating agent1980199837.2low041000
8-hydroxy-2'-deoxyguanosine
1
guanosinesbiomarker201520159.0low000010
7-methylguanosine
2
methylguanosine;
organic cation		metabolite1981201924.0low010010
prodigiosin
1
202020204.0low000010
apogossypolone
2
2010201412.0low000110
pp242
1
aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine		antineoplastic agent;
mTOR inhibitor		201720177.0low000010
lipoteichoic acid
1
201720177.0low000010
metallothionein
2
201420159.5low000020
leptin
1
2014201410.0low000010
filipin
1
201720177.0low000010
phenanthrenes
3
201320188.0low000030
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Abnormalities, Autosome0
3
1983199836.0low021000
Absence Seizure0
2
201120189.5low000020
Acid Alpha-Glucosidase Deficiency0
1
2011201113.0low000010
Acute Brain Injuries0
5
201220179.0low000050
Acute Confusional Senile Dementia0
8
2008201911.1low000260
Acute Disease0
1
2014201410.0low000010
Acute Edematous Pancreatitis0
2
201620196.5low000020
Acute Ischemic Stroke0
2
202120213.0low000002
Acute Kidney Failure0
8
201520197.4low000080
Acute Kidney Injury0
8
201520197.4low000080
Acute Liver Injury, Drug-Induced0
3
201220188.0low000030
Acute Lung Injury0
6
201120217.5low000042
Acute Lymphoid Leukemia0
1
201620168.0low000010
Acute Myelogenous Leukemia0
1
2013201311.0low000010
Acute Necrotizing Pancreatitis0
2
2007201811.5low000110
Acute Promyelocytic Leukemia0
4
2011201610.8low000040
Adenocarcinoma0
8
1993201413.5low001070
Adenocarcinoma Of Kidney0
4
2012201610.0low000040
Adenocarcinoma of Lung0
3
2012201411.0low000030
Adenocarcinoma, Alveolar0
1
201620168.0low000010
Adenocarcinoma, Basal Cell0
8
1993201413.5low001070
Adenocarcinoma, Bronchiolo-Alveolar0
1
201620168.0low000010
Adenocystic Carcinoma0
2
2013201410.5low000020
Adenoma0
1
1992199232.0low001000
Adenoma, Basal Cell0
1
1992199232.0low001000
Adenoviridae Infections0
1
2013201311.0low000010
Adenovirus Infections0
1
2013201311.0low000010
Adjuvant Arthritis0
2
201620196.5low000020
Adult GM1 Gangliosidosis0
1
2008200816.0low000100
Adult Neuronal Ceroid Lipofuscinosis0
1
2006200618.0low000100
Adult Spinal Muscular Atrophy0
1
201720177.0low000010
African Lymphoma0
2
2014201410.0low000020
Age-Related Macular Degeneration0
3
2004201612.7low000120
Age-Related Memory Disorders0
1
2014201410.0low000010
Aging0
9
2001202211.9low000432
Airflow Obstruction, Chronic0
3
201720215.3low000021
Airway Remodeling0
2
201720215.0low000011
Akinetic-Rigid Variant of Huntington Disease0
1
2013201311.0low000010
Alcohol Drinking0
1
2012201212.0low000010
Alcoholic Liver Diseases0
1
201520159.0low000010
Allergic Encephalomyelitis0
2
201420178.5low000020
Allergic Reaction0
1
201920195.0low000010
Alloxan Diabetes0
9
201320217.4low000081
Alpha Virus Infections0
1
2011201113.0low000010
ALS - Amyotrophic Lateral Sclerosis0
1
201620168.0low000010
Alveolar Bone Atrophy0
2
201920204.5low000020
Alzheimer Disease0
8
2008201911.1low000260
Amyloid Deposits0
1
2009200915.0low000100
Amyotrophic Lateral Sclerosis0
1
201620168.0low000010
Anaplastic Astrocytoma0
1
2012201212.0low000010
Anasarca0
1
202120213.0low000001
ANCA-Associated Vasculitides0
1
201620168.0low000010
Androgen-Independent Prostatic Cancer0
2
201920195.0low000020
Angiitis0
2
201320207.5low000020
Angiodysplasia0
1
201620168.0low000010
Angiogenesis, Pathologic0
1
201520159.0low000010
Animal Mammary Carcinoma0
1
201820186.0low000010
Anoxemia0
11
2008201910.5low000380
Anoxia-Ischemia, Brain0
6
200820209.7low000240
Anoxia, Brain0
1
2009200915.0low000100
Anterior Cerebral Circulation Infarction0
2
201420216.5low000011
Anterior Choroidal Artery Infarction0
2
2012201411.0low000020
Anterior Circulation Transient Ischemic Attack0
2
2009201910.0low000110
Anti-Neutrophil Cytoplasmic Antibody-Associated Vasculitis0
1
201620168.0low000010
Anxiety0
1
202320231.0low000001
Apoplexy0
6
201220198.0low000060
Arbovirus Infections0
1
202120213.0low000001
Arrhythmia0
1
2013201311.0low000010
Arrhythmias, Cardiac0
1
2013201311.0low000010
Arthritis, Degenerative0
6
201320217.3low000051
Arthritis, Rheumatoid0
3
201420187.7low000030
Aspiration, Respiratory0
1
2013201311.0low000010
Asthma0
3
201720224.3low000021
Asthma, Bronchial0
3
201720224.3low000021
Astrocytoma0
1
2012201212.0low000010
Astrocytoma, Grade IV0
7
2000202311.0low001141
Asymmetric Diabetic Proximal Motor Neuropathy0
1
201520159.0low000010
Atherogenesis0
9
201220206.4low000090
Atheroma0
2
201620206.0low000020
Atherosclerosis0
9
201220206.4low000090
Atherosclerotic Parkinsonism0
1
202120213.0low000001
ATLL0
1
1997199727.0low001000
Atrophy, Muscle0
3
201120189.7low000030
Atypical Mycobacterial Infection, Disseminated0
1
2013201311.0low000010
Aura0
1
201820186.0low000010
Autism0
1
201920195.0low000010
Autistic Disorder0
1
201920195.0low000010
Autoimmune Diabetes0
1
201520159.0low000010
Autoimmune Disease0
3
1986202117.0low010011
Autoimmune Diseases0
3
1986202117.0low010011
Autolysis0
3
1982198540.0low030000
Autosomal Dominant Juvenile Parkinson Disease0
1
202120213.0low000001
Autosomal Dominant Striatonigral Degeneration0
1
2011201113.0low000010
Autosomal Recessive Chronic Granulomatous Disease0
2
201520206.5low000020
B Virus Infection0
1
202120213.0low000001
B-Cell Chronic Lymphocytic Leukemia0
2
2009201313.0low000110
B-Cell Lymphoma0
2
2011201610.5low000020
B16 Melanoma0
3
201720215.7low000021
Bacterial Disease0
1
1990199034.0low001000
Bacterial Infections0
1
1990199034.0low001000
Bacterial Infections, Gram-Positive0
1
201920195.0low000010
Behavior Disorders0
1
201820186.0low000010
Bends0
1
201920195.0low000010
Benign Neoplasms0
16
1990202111.6low0014101
Benign Neoplasms, Brain0
16
2004202310.9low0005101
Bladder Cancer0
7
2010201710.7low000160
Blastomyces brasiliensis Infection0
1
201820186.0low000010
Blood Clot0
1
2014201410.0low000010
Blood Poisoning0
5
201420216.6low000041
Blood Pressure, High0
1
202220222.0low000001
Blue-Eared Pig Disease0
1
2012201212.0low000010
Body Weight0
3
2004201612.7low000120
Bone Cancer0
6
201320188.8low000060
Bone Loss, Osteoclastic0
1
201920195.0low000010
Bone Neoplasms0
6
201320188.8low000060
Brain Damage, Chronic0
1
202020204.0low000010
Brain Diseases0
1
201720177.0low000010
Brain Disorders0
1
201720177.0low000010
Brain Edema0
1
201520159.0low000010
Brain Hemorrhage, Cerebral0
2
201620177.5low000020
Brain Infarction0
2
201420216.5low000011
Brain Injuries0
5
201220179.0low000050
Brain Injuries, Traumatic0
1
201820186.0low000010
Brain Ischemia0
25
200820219.9low0004192
Brain Neoplasms0
16
2004202310.9low0005101
Brain Swelling0
1
201520159.0low000010
Break-Bone Fever0
4
201320217.0low000031
Breast Cancer0
25
200520219.6low0002212
Breast Neoplasms0
25
200520219.6low0002212
Bright Disease0
2
201420188.0low000020
Brucella Infection0
1
2012201212.0low000010
Brucellosis0
1
2012201212.0low000010
Brugada ECG Pattern0
1
2013201311.0low000010
Brugada Syndrome0
1
2013201311.0low000010
Burkitt Lymphoma0
2
2014201410.0low000020
Burns0
2
1987201722.0low010010
Cachexia0
1
202220222.0low000001
Cadaver0
1
201820186.0low000010
Cancer of Cervix0
5
2007202110.2low000131
Cancer of Colon0
12
1993201815.2low001830
Cancer of Endometrium0
1
2012201212.0low000010
Cancer of Esophagus0
6
1990201818.0low002040
Cancer of Head0
2
201720186.5low000020
Cancer of Intestines0
1
201620168.0low000010
Cancer of Kidney0
4
2012201610.0low000040
Cancer of Larynx0
1
201920195.0low000010
Cancer of Liver0
35
199120218.9low0014273
Cancer of Lung0
29
201120218.9low0000281
Cancer of Mouth0
5
201420197.8low000050
Cancer of Nasopharynx0
5
201220169.6low000050
Cancer of Ovary0
7
201320207.7low000070
Cancer of Pancreas0
9
201020229.0low000261
Cancer of Parathyroid0
1
1992199232.0low001000
Cancer of Prostate0
9
2003202111.2low000351
Cancer of Salivary Gland0
2
2013201410.5low000020
Cancer of Skin0
6
2000201911.5low001140
Cancer of Stomach0
11
1990201916.9low004070
Cancer of the Retina0
1
201520159.0low000010
Cancer of the Thyroid0
3
200920227.7low000111
Cancer of the Tongue0
2
201320169.5low000020
Cancer of the Uterus0
1
202020204.0low000010
Carcinogenesis0
2
201920195.0low000020
Carcinoma0
4
201220169.8low000040
Carcinoma, Adenoid Cystic0
2
2013201410.5low000020
Carcinoma, Anaplastic0
4
201220169.8low000040
Carcinoma, Ehrlich Tumor0
2
1990201223.0low001010
Carcinoma, Epidermoid0
16
1985201910.8low0101140
Carcinoma, Hepatocellular0
33
199120219.4low0024243
Carcinoma, Lewis Lung0
1
2013201311.0low000010
Carcinoma, Non-Small Cell Lung0
12
201120218.9low0000111
Carcinoma, Non-Small-Cell Lung0
12
201120218.9low0000111
Carcinoma, Ovarian Epithelial0
1
201520159.0low000010
Carcinoma, Papillary0
2
2009201810.5low000110
Carcinoma, Renal Cell0
4
2012201610.0low000040
Carcinoma, Squamous Cell0
16
1985201910.8low0101140
Carcinoma, Squamous Cell of Head and Neck0
1
201820186.0low000010
Carcinoma, Transitional Cell0
2
2013201410.5low000020
Cardiac Conduction Defect0
1
2013201311.0low000010
Cardiac Diseases0
1
2013201311.0low000010
Cardiac Failure0
2
2009201313.0low000110
Cardiac Hypertrophy0
2
201520178.0low000020
Cardiac Remodeling, Ventricular0
3
201520225.7low000021
Cardiac Rupture, Traumatic0
1
201720177.0low000010
Cardiac Toxicity0
1
201720177.0low000010
Cardiomegaly0
2
201520178.0low000020
Cardiomyopathies0
2
201520206.5low000020
Cardiomyopathies, Primary0
2
201520206.5low000020
Cardiomyopathy, Congestive0
1
202220222.0low000001
Cardiomyopathy, Dilated0
1
202220222.0low000001
Cardiotoxicity0
1
201720177.0low000010
Cardiovascular Stroke0
12
201220217.4low0000111
Carditis0
2
201420216.5low000011
Carotid Artery Narrowing0
1
2014201410.0low000010
Carotid Stenosis0
1
2014201410.0low000010
Cataract0
1
202220222.0low000001
Cataract, Membranous0
1
202220222.0low000001
Cell Transformation, Neoplastic0
3
1985201618.3low010020
Central Nervous System Neoplasm0
1
2013201311.0low000010
Central Nervous System Neoplasms0
1
2013201311.0low000010
Centriacinar Emphysema0
1
201720177.0low000010
Cerebral Hemorrhage0
2
201620177.5low000020
Cerebral Infarction0
2
2012201411.0low000020
Cerebral Infarction, Middle Cerebral Artery0
11
200820219.2low000272
Cerebral Ischemia0
25
200820219.9low0004192
Cerebro-Hepato-Renal Syndrome0
1
1992199232.0low001000
Chemical and Drug Induced Liver Injury0
3
201220188.0low000030
Cherry Red Spot Myoclonus Syndrome0
1
2006200618.0low000100
Chickungunya Fever0
1
2011201113.0low000010
Choriocarcinoma0
1
202020204.0low000010
Chromosomal Translocation0
1
2014201410.0low000010
Chronic Hepatitis B0
1
201920195.0low000010
Chronic Kidney Diseases0
3
201520197.3low000030
Chronic Kidney Failure0
1
2013201311.0low000010
Chronic Lung Injury0
1
202220222.0low000001
Cicatrix0
1
201820186.0low000010
Cicatrization0
1
201820186.0low000010
Ciliophora Infections0
2
202320231.0low000002
Cirrhoses, Experimental Liver0
1
2012201212.0low000010
Cirrhosis0
7
201120188.6low000070
Cirrhosis, Liver0
3
201720196.3low000030
Classical Swine Fever0
1
2014201410.0low000010
Cognition Disorders0
2
201420169.0low000020
Cognitive Decline0
2
201720196.0low000020
Cognitive Dysfunction0
2
201720196.0low000020
Colitis0
4
200820208.2low000130
Colitis, Granulomatous0
1
2011201113.0low000010
Colonic Neoplasms0
12
1993201815.2low001830
Colorectal Cancer0
13
201120198.6low0000130
Colorectal Neoplasms0
13
201120198.6low0000130
Congenital Zika Syndrome0
1
202020204.0low000010
Contagious Pustular Dermatitis0
1
201620168.0low000010
Corneal Dystrophies0
2
201820186.0low000020
Coronavirus Infections0
1
201720177.0low000010
Coxsackie Virus Infections0
2
2009201213.5low000110
Cranial Nerve VII Injuries0
1
201920195.0low000010
Crohn Disease0
1
2011201113.0low000010
Cryptogenic Fibrosing Alveolitis0
2
2012201411.0low000020
Cyst0
1
2014201410.0low000010
Deficiency, Folic Acid0
1
201620168.0low000010
Degenerative Disc Disease0
5
201320188.8low000050
Degenerative Diseases, Central Nervous System0
7
2004201514.0low000430
Dementias, Transmissible0
1
201620168.0low000010
Dengue0
4
201320217.0low000031
Depression0
1
201920195.0low000010
Di Guglielmo Disease0
1
201820186.0low000010
Diabetes Mellitus0
2
201620168.0low000020
Diabetes Mellitus, Adult-Onset0
3
201520187.3low000030
Diabetes Mellitus, Type 10
1
201520159.0low000010
Diabetes Mellitus, Type 20
3
201520187.3low000030
Diabetic Glomerulosclerosis0
3
201320169.7low000030
Diabetic Nephropathies0
3
201320169.7low000030
Diabetic Neuropathies0
1
201520159.0low000010
Diabetic Retinopathy0
2
201620206.0low000020
Diathesis0
1
202120213.0low000001
Disease Exacerbation0
9
201320216.3low000081
Disease Models, Animal0
98
200820227.6low00058112
DNA Degradation, Necrotic0
1
201620168.0low000010
Dysembryoma0
1
201720177.0low000010
Dysplastic Nevus Syndrome, Hereditary0
1
2014201410.0low000010
E chaffeensis Infection0
1
201620168.0low000010
Edema0
1
202120213.0low000001
Edema-Proteinuria-Hypertension Gestosis0
1
202020204.0low000010
Encephalopathy, Subacute Spongiform, Gerstmann-Straussler Type0
1
201520159.0low000010
Encephalopathy, Toxic0
3
201320188.0low000030
Encephalopathy, Traumatic0
1
201820186.0low000010
Endometrial Neoplasms0
1
2012201212.0low000010
Endometrioma0
1
2014201410.0low000010
Endometriosis0
1
2014201410.0low000010
Endotoxemia0
1
201820186.0low000010
Endotoxin Shock0
1
201820186.0low000010
Enterovirus Infections0
1
201920195.0low000010
Epilepsy0
1
201820186.0low000010
Epithelial Neoplasms0
1
201520159.0low000010
Epithelial Ovarian Cancer0
1
201520159.0low000010
ER-Negative PR-Negative HER2-Negative Breast Cancer0
8
201420226.0low000062
Esophageal Neoplasms0
6
1990201818.0low002040
Esophageal Squamous Cell Carcinoma0
1
201520159.0low000010
Experimental Hepatoma0
1
2012201212.0low000010
Experimental Lung Inflammation0
3
201420234.7low000012
Experimental Mammary Neoplasms0
1
201720177.0low000010
Experimental Neoplasms0
3
1983201521.3low010110
Experimental Spinal Cord Ischemia0
3
201620177.7low000030
Eye Cancer, Retinoblastoma0
1
201520159.0low000010
Familial Nonmedullary Thyroid Cancer0
1
201820186.0low000010
Fatty Liver0
5
201320178.4low000050
Fatty Liver, Nonalcoholic0
2
201420207.0low000020
Femoral Fractures0
1
201820186.0low000010
Fetal Growth Restriction0
1
202120213.0low000001
Fetal Growth Retardation0
1
202120213.0low000001
Fibrosis0
7
201120188.6low000070
Fish Diseases0
3
201620233.3low000012
Folic Acid Deficiency0
1
201620168.0low000010
Fungal Diseases0
1
2013201311.0low000010
Fusobacterium Infections0
1
201620168.0low000010
Gangliosidosis, GM10
1
2008200816.0low000100
Gastric Ulcer0
1
201720177.0low000010
Genetic Predisposition0
3
2011201710.0low000030
Genome Instability0
1
2010201014.0low000100
Glaucoma0
1
2012201212.0low000010
Glial Cell Tumors0
22
2004201912.5low0009130
Glioblastoma0
7
2000202311.0low001141
Glioma0
22
2004201912.5low0009130
Glomerulonephritis0
2
201420188.0low000020
Glomerulonephritis, Lupus0
1
201820186.0low000010
Glycogen Storage Disease Type II0
1
2011201113.0low000010
Graft Occlusion, Vascular0
1
201620168.0low000010
Graft vs Host Disease0
1
2010201014.0low000100
Graft-Versus-Host Disease0
1
2010201014.0low000100
Gram-Positive Bacterial Infections0
1
201920195.0low000010
Granulocytic Leukemia0
1
2011201113.0low000010
Granulocytic Leukemia, Chronic0
2
201320198.0low000020
Granuloma, Hodgkin0
1
202020204.0low000010
Granulomatous Disease, Chronic0
2
201520206.5low000020
Head and Neck Neoplasms0
2
201720186.5low000020
Heart Disease, Ischemic0
2
201620225.0low000011
Heart Diseases0
1
2013201311.0low000010
Heart Failure0
2
2009201313.0low000110
Heat Stroke0
1
201720177.0low000010
Heatstroke0
1
201720177.0low000010
Helicobacter Infections0
1
2009200915.0low000100
Hemorrhage, Subarachnoid0
1
2012201212.0low000010
Hepatic Failure0
1
2014201410.0low000010
Hepatitis B0
1
2014201410.0low000010
Hepatitis B Virus Infection0
1
2014201410.0low000010
Hepatitis B, Chronic0
1
201920195.0low000010
Hepatoblastoma0
1
201520159.0low000010
Hepatocellular Carcinoma0
33
199120219.4low0024243
HIV Coinfection0
1
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1
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1
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11
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1
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1
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1
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4
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44
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34
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5
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1
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3
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10
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3
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3
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3
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1
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35
199120218.9low0014273
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6
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29
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2
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2
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1
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3
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1
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1
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5
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1
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10
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1
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12
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2
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4
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5
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Near Drowning0
1
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13
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1
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3
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16
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1
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1
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10
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1
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1
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1
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1
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1
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15
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7
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1
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1
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1
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2
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4
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1
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6
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8
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2
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8
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7
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9
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2
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1
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1
1992199232.0low001000
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6
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1
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3
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3
201920214.0low000021
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2011201113.0low000010
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1
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1
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3
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10
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2
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Safety/Toxicity (53)

ArticleYear
TLR9 deficiency alleviates doxorubicin-induced cardiotoxicity via the regulation of autophagy.
Journal of cellular and molecular medicine, , Volume: 24, Issue:18		2020
MKP-5 Relieves Lipotoxicity-Induced Islet β-Cell Dysfunction and Apoptosis via Regulation of Autophagy.
International journal of molecular sciences, , Sep-28, Volume: 21, Issue:19		2020
The involvement of autophagic flux in the development and recovery of doxorubicin-induced neurotoxicity.
Free radical biology & medicine, , Volume: 129		2018
ROS‑mediated autophagy through the AMPK signaling pathway protects INS‑1 cells from human islet amyloid polypeptide‑induced cytotoxicity.
Molecular medicine reports, , Volume: 18, Issue:3		2018
3-methyadenine attenuates chloroform-induced hepatotoxicity via autophagy activation.
Biomedical research (Tokyo, Japan), , Volume: 39, Issue:2		2018
Interplay between autophagy and apoptosis in lead(II)-induced cytotoxicity of primary rat proximal tubular cells.
Journal of inorganic biochemistry, , Volume: 182		2018
Autophagy is activated to protect renal tubular epithelial cells against iodinated contrast media‑induced cytotoxicity.
Molecular medicine reports, , Volume: 16, Issue:6		2017
Baicalein Protects against Rotenone-Induced Neurotoxicity through Induction of Autophagy.
Biological & pharmaceutical bulletin, , Sep-01, Volume: 40, Issue:9		2017
Autophagy Activation Alleviates Amyloid-β-Induced Oxidative Stress, Apoptosis and Neurotoxicity in Human Neuroblastoma SH-SY5Y Cells.
Neurotoxicity research, , Volume: 32, Issue:3		2017
Pre-incubation with hucMSC-exosomes prevents cisplatin-induced nephrotoxicity by activating autophagy.
Stem cell research & therapy, , 04-08, Volume: 8, Issue:1		2017
Akr1 attenuates methylmercury toxicity through the palmitoylation of Meh1 as a subunit of the yeast EGO complex.
Biochimica et biophysica acta. General subjects, , Volume: 1861, Issue:7		2017
Autophagy flux induced by ginsenoside-Rg3 attenuates human prion protein-mediated neurotoxicity and mitochondrial dysfunction.
Oncotarget, , Dec-27, Volume: 7, Issue:52		2016
Basal autophagy protects cardiomyocytes from doxorubicin-induced toxicity.
Toxicology, , Aug-31, Volume: 370		2016
Naphthoquinoxaline metabolite of mitoxantrone is less cardiotoxic than the parent compound and it can be a more cardiosafe drug in anticancer therapy.
Archives of toxicology, , Volume: 91, Issue:4		2017
Preconditioning of endoplasmic reticulum stress protects against acrylonitrile-induced cytotoxicity in primary rat astrocytes: The role of autophagy.
Neurotoxicology, , Volume: 55		2016
Hinokitiol protects primary neuron cells against prion peptide-induced toxicity via autophagy flux regulated by hypoxia inducing factor-1.
Oncotarget, , May-24, Volume: 7, Issue:21		2016
Graphene Oxide Attenuates the Cytotoxicity and Mutagenicity of PCB 52 via Activation of Genuine Autophagy.
Environmental science & technology, , Mar-15, Volume: 50, Issue:6		2016
Involvement of autophagy upregulation in 3,4-methylenedioxymethamphetamine ('ecstasy')-induced serotonergic neurotoxicity.
Neurotoxicology, , Volume: 52		2016
Autophagy Protects against CYP2E1/Chronic Ethanol-Induced Hepatotoxicity.
Biomolecules, , Oct-16, Volume: 5, Issue:4		2015
Inhibition of autophagy induced by quercetin at a late stage enhances cytotoxic effects on glioma cells.
Tumour biology : the journal of the International Society for Oncodevelopmental Biology and Medicine, , Volume: 37, Issue:3		2016
Sulforaphane Protects the Liver against CdSe Quantum Dot-Induced Cytotoxicity.
PloS one, , Volume: 10, Issue:9		2015
Melatonin Ameliorates Arsenite-Induced Neurotoxicity: Involvement of Autophagy and Mitochondria.
Molecular neurobiology, , Volume: 52, Issue:2		2015
Participation of autophagy in the cytotoxicity against breast cancer cells by cisplatin.
Oncology reports, , Volume: 34, Issue:1		2015
Chloroquine enhances gefitinib cytotoxicity in gefitinib-resistant nonsmall cell lung cancer cells.
PloS one, , Volume: 10, Issue:3		2015
Impact of autophagy inhibition at different stages on cytotoxic effect of autophagy inducer in glioblastoma cells.
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, , Volume: 35, Issue:4		2015
Paradoxical effects of the autophagy inhibitor 3-methyladenine on docetaxel-induced toxicity in PC-3 and LNCaP prostate cancer cells.
Naunyn-Schmiedeberg's archives of pharmacology, , Volume: 388, Issue:7		2015
Autophagy activation is involved in 3,4-methylenedioxymethamphetamine ('ecstasy')--induced neurotoxicity in cultured cortical neurons.
PloS one, , Volume: 9, Issue:12		2014
Protective roles of aldo-keto reductase 1B10 and autophagy against toxicity induced by p-quinone metabolites of tert-butylhydroquinone in lung cancer A549 cells.
Chemico-biological interactions, , Jun-05, Volume: 234		2015
The combination of RAD001 and MK-2206 exerts synergistic cytotoxic effects against PTEN mutant gastric cancer cells: involvement of MAPK-dependent autophagic, but not apoptotic cell death pathway.
PloS one, , Volume: 9, Issue:1		2014
Celecoxib-induced cytotoxic effect is potentiated by inhibition of autophagy in human urothelial carcinoma cells.
PloS one, , Volume: 8, Issue:12		2013
Inhibition of autophagy promotes CYP2E1-dependent toxicity in HepG2 cells via elevated oxidative stress, mitochondria dysfunction and activation of p38 and JNK MAPK.
Redox biology, , Volume: 1		2013
Activation of autophagy rescues amiodarone-induced apoptosis of lung epithelial cells and pulmonary toxicity in rats.
Toxicological sciences : an official journal of the Society of Toxicology, , Volume: 136, Issue:1		2013
Pharmacological activation of Sirt1 ameliorates polyglutamine-induced toxicity through the regulation of autophagy.
PloS one, , Volume: 8, Issue:6		2013
Inhibition of autophagy enhances cisplatin cytotoxicity in human adenoid cystic carcinoma cells of salivary glands.
Journal of oral pathology & medicine : official publication of the International Association of Oral Pathologists and the American Academy of Oral Pathology, , Volume: 42, Issue:10		2013
Paradoxical role of 3-methyladenine in pyocyanin-induced toxicity in 1321N1 astrocytoma and SH-SY5Y neuroblastoma cells.
International journal of toxicology, , Volume: 32, Issue:3
Cytotoxicity of quantum dots assay on a microfluidic 3D-culture device based on modeling diffusion process between blood vessels and tissues.
Lab on a chip, , Sep-21, Volume: 12, Issue:18		2012
Role of autophagy inhibitors and inducers in modulating the toxicity of trimethyltin in neuronal cell cultures.
Journal of neural transmission (Vienna, Austria : 1996), , Volume: 119, Issue:11		2012
Dendrimer-mediated siRNA delivery knocks down Beclin 1 and potentiates NMDA-mediated toxicity in rat cortical neurons.
Journal of neurochemistry, , Volume: 120, Issue:2		2012
Inhibition of autophagy enhances cisplatin cytotoxicity through endoplasmic reticulum stress in human cervical cancer cells.
Cancer letters, , Jan-28, Volume: 314, Issue:2		2012
Inhibition of autophagy by 3-methyladenine protects 1321N1 astrocytoma cells against pyocyanin- and 1-hydroxyphenazine-induced toxicity.
Archives of toxicology, , Volume: 86, Issue:2		2012
Activation of autophagy protects against acetaminophen-induced hepatotoxicity.
Hepatology (Baltimore, Md.), , Volume: 55, Issue:1		2012
Chelation of lysosomal iron protects dopaminergic SH-SY5Y neuroblastoma cells from hydrogen peroxide toxicity by precluding autophagy and Akt dephosphorylation.
Toxicological sciences : an official journal of the Society of Toxicology, , Volume: 123, Issue:2		2011
Sensitizing effect of 3-methyladenine on radiation-induced cytotoxicity in radio-resistant HepG2 cells in vitro and in tumor xenografts.
Chemico-biological interactions, , Jul-15, Volume: 192, Issue:3		2011
Normal prion protein in Drosophila enhances the toxicity of pathogenic polyglutamine proteins and alters susceptibility to oxidative and autophagy signaling modulators.
Biochemical and biophysical research communications, , Jan-14, Volume: 404, Issue:2		2011
Role of autophagy in sonodynamic therapy-induced cytotoxicity in S180 cells.
Ultrasound in medicine & biology, , Volume: 36, Issue:11		2010
XRCC1 deficiency influences the cytotoxicity and the genomic instability induced by Me-lex, a specific inducer of N3-methyladenine.
DNA repair, , Jul-01, Volume: 9, Issue:7		2010
Acute NMDA toxicity in cultured rat cerebellar granule neurons is accompanied by autophagy induction and late onset autophagic cell death phenotype.
BMC neuroscience, , Feb-18, Volume: 11		2010
Inhibition of autophagy at a late stage enhances imatinib-induced cytotoxicity in human malignant glioma cells.
International journal of cancer, , Mar-01, Volume: 124, Issue:5		2009
Rev1 and Polzeta influence toxicity and mutagenicity of Me-lex, a sequence selective N3-adenine methylating agent.
DNA repair, , Mar-01, Volume: 7, Issue:3		2008
Caspase-independent autophagic cytotoxicity in etoposide-treated CaSki cervical carcinoma cells.
DNA and cell biology, , Volume: 26, Issue:10		2007
Role of autophagy in temozolomide-induced cytotoxicity for malignant glioma cells.
Cell death and differentiation, , Volume: 11, Issue:4		2004
DNA damage and cytotoxicity induced by minor groove binding methyl sulfonate esters.
Biochemistry, , Dec-09, Volume: 42, Issue:48		2003
Lysosomal involvement in hepatocyte cytotoxicity induced by Cu(2+) but not Cd(2+).
Free radical biology & medicine, , Jan-01, Volume: 30, Issue:1		2001

Long-term Use (1)

ArticleYear
Enhanced repair of O6-alkylguanine in mammalian tissues.
Folia biologica, , Volume: 30 Spec No		1984

Pharmacokinetics (12)

ArticleYear
Clearance of autophagy-associated dying retinal pigment epithelial cells - a possible source for inflammation in age-related macular degeneration.
Cell death & disease, , 09-08, Volume: 7, Issue:9		2016
Effect of Exendin-4 on Autophagy Clearance in Beta Cell of Rats with Tacrolimus-induced Diabetes Mellitus.
Scientific reports, , 07-20, Volume: 6		2016
Activation of volume-sensitive Cl- channel mediates autophagy-related cell death in myocardial ischaemia/reperfusion injury.
Oncotarget, , Jun-28, Volume: 7, Issue:26		2016
Autophagy promotes DNA-protein crosslink clearance.
Mutation research. Genetic toxicology and environmental mutagenesis, , Volume: 797		2016
Endogenous grouper and barramundi Mx proteins facilitated the clearance of betanodavirus RNA-dependent RNA polymerase.
Developmental and comparative immunology, , Volume: 59		2016
NPAS4 Facilitates the Autophagic Clearance of Endogenous Tau in Rat Cortical Neurons.
Journal of molecular neuroscience : MN, , Volume: 58, Issue:4		2016
Differential ERK activation during autophagy induced by europium hydroxide nanorods and trehalose: Maximum clearance of huntingtin aggregates through combined treatment.
Biomaterials, , Volume: 73		2015
Clearance of the mutant androgen receptor in motoneuronal models of spinal and bulbar muscular atrophy.
Neurobiology of aging, , Volume: 34, Issue:11		2013
Cerebral ischemia-reperfusion-induced autophagy protects against neuronal injury by mitochondrial clearance.
Autophagy, , Volume: 9, Issue:9		2013
Crosstalk between the proteasome system and autophagy in the clearance of α-synuclein.
Acta pharmacologica Sinica, , Volume: 34, Issue:5		2013
Autophagic clearance of Sin Nombre hantavirus glycoprotein Gn promotes virus replication in cells.
Journal of virology, , Volume: 86, Issue:14		2012
Synergistic effect between proteasome and autophagosome in the clearance of polyubiquitinated TDP-43.
Journal of neuroscience research, , Volume: 88, Issue:4		2010

Bioavailability (3)

ArticleYear
Curcumin induces autophagic cell death in human thyroid cancer cells.
Toxicology in vitro : an international journal published in association with BIBRA, , Volume: 78		2022
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019
Dual PI3K/mTOR inhibitor NVP-BEZ235-induced apoptosis of hepatocellular carcinoma cell lines is enhanced by inhibitors of autophagy.
International journal of molecular medicine, , Volume: 31, Issue:6		2013

Dosage (6)

ArticleYear
Low concentrations of chloroquine and 3-methyladenine suppress the viability of retinoblastoma cells synergistically with vincristine independent of autophagy inhibition.
Graefe's archive for clinical and experimental ophthalmology = Albrecht von Graefes Archiv fur klinische und experimentelle Ophthalmologie, , Volume: 253, Issue:12		2015
Licochalcone A induces autophagy through PI3K/Akt/mTOR inactivation and autophagy suppression enhances Licochalcone A-induced apoptosis of human cervical cancer cells.
Oncotarget, , Oct-06, Volume: 6, Issue:30		2015
Direct-acting DNA alkylating agents present in aqueous extracts of areca nut and its products.
Chemical research in toxicology, , Nov-19, Volume: 25, Issue:11		2012
The autophagic inhibitor 3-methyladenine potently stimulates PKA-dependent lipolysis in adipocytes.
British journal of pharmacology, , Volume: 168, Issue:1		2013
Evaluation of urinary 1-hydroxypyrene, S-phenylmercapturic acid, trans,trans-muconic acid, 3-methyladenine, 3-ethyladenine, 8-hydroxy-2'-deoxyguanosine and thioethers as biomarkers of exposure to cigarette smoke.
Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals, , Volume: 11, Issue:1
Differentiation-dependent inhibition of proteolysis by norepinephrine in brown adipocytes.
The American journal of physiology, , Volume: 277, Issue:2		1999

Interactions (4)

ArticleYear
Apalutamide in combination with autophagy inhibitors improves treatment effects in prostate cancer cells.
Urologic oncology, , Volume: 38, Issue:8		2020
Cytotoxic and Antitumor Activity of Lactaptin in Combination with Autophagy Inducers and Inhibitors.
BioMed research international, , Volume: 2019		2019
Effect of Multipurpose Solution Combined With Autophagy Inhibitors on Adhesion of Acanthamoeba trophozoites to Silicone Hydrogel Contact Lenses.
Cornea, , Volume: 36, Issue:12		2017
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