Compounds > kf38789
Page last updated: 2024-08-04 03:13:48

kf38789

Description

KF38789: a non-carbohydrate low MW cpd that Inhibits P-selectin specific cell adhesion; structure in first source [MeSH]

Cross-References

ID SourceID
PubMed CID135400439
CHEMBL ID246957
SCHEMBL ID6415594
CHEBI ID91760
MeSH IDM0423369

Synonyms (49)

Synonym
HMS1577K14
AKOS005446665
HMS3269P19
kf-38789
OPREA1_170099
CBDIVE_002503
PROBES2_000151
2h-pyran-2-one, 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methyl- (9ci)
kf 38789
2h-pyran-2-one, 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methyl-
257292-29-8
3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-[1,4]thiazepin-5-yl]-4-hydroxy-6-methylpyran-2-one
3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methyl-2h-pyran-2-one
smr000054707
MLS000104774 ,
PROBES1_000015
NCGC00167844-01
CHEMBL246957
(3z)-3-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione
3-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione
NCGC00075363-02
HMS2325L16
AB00074100-01
unii-sd6u8x7nae
2h-pyran-2-one, 3-(7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl)-4-hydroxy-6-methyl-
sd6u8x7nae ,
3-(7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-(1,4)thiazepin-5-yl)-4-hydroxy-6-methylpyran-2-one
SCHEMBL6415594
3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-[1,4]thiazepin-5-yl]-4-hydroxy-6-methyl-pyran-2-one
3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methyl-2h-pyran-2-one #
3-[7-(2,4-dimethoxy-phenyl)-2,3,6,7-tetrahydro-[1,4]thiazepin-5-yl]-4-hydroxy-6-methyl-pyran-2-one
(3z)-3-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione
(3z)-3-[7-(2,4-dimethoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone
bdbm49341
cid_5310849
OPERA_ID_1836
CHEBI:91760
sr-01000196199
SR-01000196199-1
J-016119
Q27163566
EX-A7086
HMS3677F06
HMS3413F06
kf38789
Q27289141
3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methylpyran-2-one
HY-103358
CS-0027728

Protein Targets (44)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency11.2202AID2517
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency5.0451AID485290
Chain A, Beta-lactamaseEscherichia coli K-12Potency31.6228AID485294
LuciferasePhotinus pyralis (common eastern firefly)Potency10.6910AID588342
glp-1 receptor, partialHomo sapiens (human)Potency1.7783AID624417
15-lipoxygenase, partialHomo sapiens (human)Potency3.1623AID887
ATAD5 protein, partialHomo sapiens (human)Potency10.1942AID504466; AID504467; AID686934; AID720565
TDP1 proteinHomo sapiens (human)Potency0.2408AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency12.0627AID1460; AID1468
thioredoxin glutathione reductaseSchistosoma mansoniPotency56.2341AID485364
Smad3Homo sapiens (human)Potency5.0119AID588855
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.8107AID1030
67.9K proteinVaccinia virusPotency2.0085AID720579; AID720580
glucocerebrosidaseHomo sapiens (human)Potency1.4125AID2101
P53Homo sapiens (human)Potency10.0000AID504706
IDH1Homo sapiens (human)Potency1.2995AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.8107AID504332
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency5.6234AID485313
cellular tumor antigen p53 isoform aHomo sapiens (human)Potency3.2465AID902; AID924
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency15.8489AID894
huntingtin isoform 2Homo sapiens (human)Potency14.1254AID1688
importin subunit beta-1 isoform 1Homo sapiens (human)Potency62.5594AID540253; AID540263
ubiquitin carboxyl-terminal hydrolase 2 isoform aHomo sapiens (human)Potency3.1623AID927
snurportin-1Homo sapiens (human)Potency62.5594AID540253; AID540263
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency60.1198AID504891
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency25.1189AID540253
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency16.1936AID2551
gemininHomo sapiens (human)Potency1.7164AID624296; AID624297
survival motor neuron protein isoform dHomo sapiens (human)Potency7.9433AID1458
DNA dC->dU-editing enzyme APOBEC-3G isoform 1Homo sapiens (human)Potency1.5849AID602310
DNA dC->dU-editing enzyme APOBEC-3F isoform aHomo sapiens (human)Potency2.8184AID602313
lamin isoform A-delta10Homo sapiens (human)Potency4.4668AID1487
neuropeptide S receptor isoform AHomo sapiens (human)Potency6.3096AID1461
Glycoprotein hormones alpha chainHomo sapiens (human)Potency1.9953AID624291
Integrin beta-3Homo sapiens (human)Potency3.9811AID924
Integrin alpha-IIbHomo sapiens (human)Potency3.9811AID924
Disintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)Potency3.1623AID927

Activation Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, BCL-2-RELATED PROTEIN A1Homo sapiens (human)EC50350.0000AID2765
nuclear factor NF-kappa-B p105 subunit isoform 1Homo sapiens (human)EC502.3280AID1241
transcription factor p65 isoform 1Homo sapiens (human)EC502.3280AID1241
bcl-2-like protein 11 isoform 1Homo sapiens (human)EC50350.0000AID2765
Estrogen receptor betaMus musculus (house mouse)EC502.3280AID1241
Estrogen receptorMus musculus (house mouse)EC502.3280AID1241

Other Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, BCL-2-RELATED PROTEIN A1Homo sapiens (human)AC50350.0000AID449754; AID449755; AID449757
Bcl-2-like protein 11Homo sapiens (human)AC50350.0000AID449757

Bioassays (21)

Assay IDTitleYearJournalArticle
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
ISSN: 1872-9096		High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
ISSN: 1464-3405		Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID308469Growth inhibition of human HCT116 cells after 48 hrs2007Bioorganic & medicinal chemistry letters, Sep-01, Volume: 17, Issue:17
ISSN: 0960-894X		Discovery of 5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-7-phenyl-(E)-2,3,6,7-tetrahydro-1,4-thiazepines as a new series of apoptosis inducers using a cell- and caspase-based HTS assay.
AID308471Ratio of GI50 to EC50 for HCT116 cells2007Bioorganic & medicinal chemistry letters, Sep-01, Volume: 17, Issue:17
ISSN: 0960-894X		Discovery of 5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-7-phenyl-(E)-2,3,6,7-tetrahydro-1,4-thiazepines as a new series of apoptosis inducers using a cell- and caspase-based HTS assay.
AID308468Growth inhibition of human T47D cells after 48 hrs2007Bioorganic & medicinal chemistry letters, Sep-01, Volume: 17, Issue:17
ISSN: 0960-894X		Discovery of 5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-7-phenyl-(E)-2,3,6,7-tetrahydro-1,4-thiazepines as a new series of apoptosis inducers using a cell- and caspase-based HTS assay.
AID308466Induction of apoptosis in human T47D cells assessed as caspase activation after 24 hrs by HTS assay2007Bioorganic & medicinal chemistry letters, Sep-01, Volume: 17, Issue:17
ISSN: 0960-894X		Discovery of 5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-7-phenyl-(E)-2,3,6,7-tetrahydro-1,4-thiazepines as a new series of apoptosis inducers using a cell- and caspase-based HTS assay.
AID308470Ratio of GI50 to EC50 for T47D cells2007Bioorganic & medicinal chemistry letters, Sep-01, Volume: 17, Issue:17
ISSN: 0960-894X		Discovery of 5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-7-phenyl-(E)-2,3,6,7-tetrahydro-1,4-thiazepines as a new series of apoptosis inducers using a cell- and caspase-based HTS assay.
AID308467Induction of apoptosis in human HCT116 cells assessed as caspase activation after 24 hrs by HTS assay2007Bioorganic & medicinal chemistry letters, Sep-01, Volume: 17, Issue:17
ISSN: 0960-894X		Discovery of 5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-7-phenyl-(E)-2,3,6,7-tetrahydro-1,4-thiazepines as a new series of apoptosis inducers using a cell- and caspase-based HTS assay.
AID1224864HCS microscopy assay (F508del-CFTR)2016PloS one, , Volume: 11, Issue:10
ISSN: 1932-6203		Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.

Research

Studies (13)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's4 (30.77)29.6817
2010's6 (46.15)24.3611
2020's3 (23.08)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other13 (100.00%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-aminobutyric acid
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		201620168.0low000010
9-xylosyladenine
1
purine nucleoside201620168.0low000010
coumarin
1
coumarinsfluorescent dye;
human metabolite;
plant metabolite		201620168.0low000010
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		201620168.0low000010
malic acid
1
2-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental metabolite		201620168.0low000010
phosphonoacetic acid
1
monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor		201620168.0low000010
histamine
1
aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter		201620168.0low000010
naringenin
1
4'-hydroxyflavanones;
trihydroxyflavanone		201620168.0low000010
niacinamide
1
pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor		201620168.0low000010
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
pyrazinamide
1
monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug		201620168.0low000010
pyrazinoic acid
1
pyrazinecarboxylic acidantitubercular agent;
drug metabolite		201620168.0low000010
1,10-phenanthroline
1
phenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor		201620168.0low000010
1,3-dipropyl-8-cyclopentylxanthine
1
oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		201620168.0low000010
2,2'-dipyridyl
1
bipyridinechelator;
ferroptosis inhibitor		201620168.0low000010
ro 5-4864
1
201620168.0low000010
4-aminopyridine
1
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		201620168.0low000010
phenytoin
1
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		201620168.0low000010
5,8,11,14-eicosatetraynoic acid
1
long-chain fatty acid201620168.0low000010
5-fluoroindole-2-carboxylic acid
1
indolyl carboxylic acid201620168.0low000010
etofylline
1
oxopurine201620168.0low000010
7-nitroindazole
1
201620168.0low000010
aa 861
1
1,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor		201620168.0low000010
acetarsol
1
acetamides;
anilide		201620168.0low000010
acetazolamide
1
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		201620168.0low000010
altretamine
1
triamino-1,3,5-triazine201620168.0low000010
theophylline
1
dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent		201620168.0low000010
amoxapine
1
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor		201620168.0low000010
aniracetam
1
N-acylpyrrolidine;
pyrrolidin-2-ones		201620168.0low000010
anisindione
1
aromatic ketone;
beta-diketone		anticoagulant;
vitamin K antagonist		201620168.0low000010
astemizole
1
benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist		201620168.0low000010
atenolol
1
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		201620168.0low000010
azelaic acid
1
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite		201620168.0low000010
bay-k-8644
1
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		201620168.0low000010
bendroflumethiazide
1
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		201620168.0low000010
benzbromarone
1
1-benzofurans;
aromatic ketone		uricosuric drug201620168.0low000010
benzothiazide
1
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		201620168.0low000010
bay h 4502
1
biphenyls;
imidazoles		201620168.0low000010
bisacodyl
1
diarylmethane201620168.0low000010
brimonidine
1
imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent		201620168.0low000010
bufexamac
1
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
bumetanide
1
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		201620168.0low000010
butacaine
1
benzoate ester201620168.0low000010
butamben
1
amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic201620168.0low000010
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		201620168.0low000010
carisoprodol
1
carbamate estermuscle relaxant201620168.0low000010
chlorambucil
1
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		201620168.0low000010
chlorpropamide
1
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		201620168.0low000010
chlorthalidone
1
isoindoles;
monochlorobenzenes;
sulfonamide		201620168.0low000010
chlorzoxazone
1
1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative		201620168.0low000010
cilostazol
1
lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		201620168.0low000010
cimetidine
1
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		201620168.0low000010
cinoxacin
1
cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent		201620168.0low000010
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide
1
sulfonamide201620168.0low000010
dapsone
1
substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug		201620168.0low000010
deferiprone
1
4-pyridonesiron chelator;
protective agent		201620168.0low000010
diazoxide
1
benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent		201620168.0low000010
dibucaine
1
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic201620168.0low000010
dichlorophen
1
bridged diphenyl fungicide;
diarylmethane		201620168.0low000010
diflunisal
1
monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
dipyridamole
1
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		201620168.0low000010
disulfiram
1
organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor		201620168.0low000010
domperidone
1
benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist		201620168.0low000010
droperidol
1
aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		201620168.0low000010
dipropizine
1
piperazines201620168.0low000010
dyphylline
1
oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent		201620168.0low000010
ebselen
1
benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger		201620168.0low000010
ellipticine
1
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite		201620168.0low000010
epirizole
1
aromatic ether201620168.0low000010
ethacrynic acid
1
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic		201620168.0low000010
myambutol
1
amino alcohol201620168.0medium000010
ethoxzolamide
1
aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		201620168.0low000010
etodolac
1
monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
felbamate
1
carbamate esteranticonvulsant;
neuroprotective agent		201620168.0low000010
4-biphenylylacetic acid
1
biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug201620168.0low000010
felodipine
1
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		201620168.0low000010
fenbufen
1
4-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug201620168.0low000010
fenofibrate
1
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		201620168.0low000010
flucytosine
1
aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug201620168.0low000010
flufenamic acid
1
aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
flumazenil
1
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		201620168.0low000010
flumequine
1
3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic		201620168.0low000010
fluorouracil
1
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		201620168.0low000010
flurbiprofen
1
fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
gemfibrozil
1
aromatic etherantilipemic drug201620168.0low000010
glipizide
1
aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue		201620168.0low000010
glyburide
1
monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent		201620168.0low000010
fluorometholone
1
201620168.0medium000010
1-(5-isoquinolinesulfonyl)-2-methylpiperazine
1
isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor201620168.0low000010
haloperidol
1
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		201620168.0low000010
harmaline
1
harmala alkaloidoneirogen201620168.0low000010
hexachlorophene
1
bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug		201620168.0low000010
hexamethylene bisacetamide
1
acetamides201620168.0low000010
hycanthone
1
thioxanthenesmutagen;
schistosomicide drug		201620168.0low000010
hydrochlorothiazide
1
benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		201620168.0low000010
hydroflumethiazide
1
benzothiadiazine;
thiazide		antihypertensive agent;
diuretic		201620168.0low000010
ibuprofen
1
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		201620168.0low000010
lidocaine
1
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		201620168.0low000010
amrinone
1
bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor201620168.0low000010
indapamide
1
indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic		201620168.0low000010
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		201620168.0low000010
indoprofen
1
gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
ipriflavone
1
aromatic ether;
isoflavones		bone density conservation agent201620168.0low000010
isoniazid
1
carbohydrazideantitubercular agent;
drug allergen		201620168.0low000010
itraconazole
1
piperazines201620168.0low000010
ketoprofen
1
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		201620168.0low000010
khellin
1
furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent		201620168.0low000010
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		201620168.0low000010
lansoprazole
1
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		201620168.0low000010
leflunomide
1
(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor		201620168.0low000010
loratadine
1
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		201620168.0low000010
ly 171883
1
acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist		201620168.0low000010
edaravone
1
pyrazoloneantioxidant;
radical scavenger		201620168.0low000010
meclofenamate sodium anhydrous
1
organic sodium salt201620168.0low000010
mefenamic acid
1
aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		201620168.0low000010
vitamin k 3
1
1,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical		201620168.0low000010
methazolamide
1
sulfonamide;
thiadiazoles		201620168.0low000010
methocarbamol
1
aromatic ether;
carbamate ester;
secondary alcohol		201620168.0low000010
metronidazole
1
C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic		201620168.0low000010
minoxidil
1
dialkylarylamine;
tertiary amino compound		201620168.0low000010
moclobemide
1
benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic		201620168.0low000010
acecainide
1
acetamides;
benzamides		anti-arrhythmia drug201620168.0low000010
nabumetone
1
methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		201620168.0low000010
nalidixic acid
1
1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor		201620168.0low000010
nevirapine
1
cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor		201620168.0low000010
nialamide
1
organonitrogen compound;
organooxygen compound		201620168.0low000010
nifedipine
1
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		201620168.0low000010
niflumic acid
1
aromatic carboxylic acid;
pyridines		201620168.0low000010
nimesulide
1
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		201620168.0low000010
nimodipine
1
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent		201620168.0low000010
nitrendipine
1
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		201620168.0low000010
norfloxacin
1
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic		201620168.0low000010
cm 7116
1
benzodiazepine201620168.0low000010
ofloxacin
1
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		201620168.0low000010
omeprazole
1
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		201620168.0low000010
aminosalicylic acid
1
aminobenzoic acid;
phenols		antitubercular agent201620168.0low000010
pentoxifylline
1
oxopurine201620168.0low000010
perphenazine
1
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		201620168.0low000010
phenindione
1
aromatic ketone;
beta-diketone		anticoagulant201620168.0low000010
phenolphthalein
1
phenols201620168.0low000010
4-phenylbutyric acid
1
monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug		201620168.0low000010
phenylbutazone
1
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		201620168.0low000010
pinacidil
1
pyridines201620168.0low000010
pipemidic acid
1
amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor		201620168.0low000010
piracetam
1
organonitrogen compound;
organooxygen compound		201620168.0low000010
pirenperone
1
aromatic ketone201620168.0low000010
praziquantel
1
isoquinolines201620168.0low000010
primidone
1
pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic		201620168.0low000010
probenecid
1
benzoic acids;
sulfonamide		uricosuric drug201620168.0low000010
probucol
1
dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug		201620168.0low000010
prochlorperazine
1
N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic		201620168.0low000010
proxyphylline
1
oxopurine201620168.0low000010
pyrimethamine
1
aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor		201620168.0low000010
pf 5901
1
quinolines201620168.0low000010
riluzole
1
benzothiazoles201620168.0low000010
ritanserin
1
organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		201620168.0low000010
rolipram
1
pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		201620168.0low000010
ronidazole
1
C-nitro compound;
carbamate ester;
imidazoles		antiparasitic agent;
antiprotozoal drug		201620168.0low000010
salicylamide
1
phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic		201620168.0low000010
spiperone
1
aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist		201620168.0low000010
aldactazide
1
steroid lactone201620168.0medium000010
streptonigrin
1
pyridines;
quinolone		antimicrobial agent;
antineoplastic agent		201620168.0low000010
sulfabenzamide
1
benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug		201620168.0low000010
sulfacetamide
1
N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		201620168.0low000010
sulfadimethoxine
1
aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic		201620168.0low000010
sulfamerazine
1
pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen		201620168.0low000010
sulfamethazine
1
pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic		201620168.0low000010
sulfamethizole
1
sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		201620168.0low000010
sulfamethoxazole
1
isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic		201620168.0low000010
sulfamethoxypyridazine
1
pyridazines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		201620168.0low000010
tegafur
1
organohalogen compound;
pyrimidines		201620168.0low000010
terazosin
1
furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		201620168.0low000010
terfenadine
1
diarylmethane201620168.0low000010
thiabendazole
1
1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug		201620168.0low000010
tinidazole
1
imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug		201620168.0low000010
tolazamide
1
N-sulfonylureahypoglycemic agent;
potassium channel blocker		201620168.0low000010
tolbutamide
1
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		201620168.0low000010
tolnaftate
1
monothiocarbamic esterantifungal drug201620168.0low000010
trapidil
1
triazolopyrimidines201620168.0low000010
trichlormethiazide
1
benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic		201620168.0low000010
trimethoprim
1
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		201620168.0low000010
tyramine
1
monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter		201620168.0low000010
vesamicol
1
piperidines201620168.0low000010
xylazine
1
1,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative		201620168.0low000010
zopiclone
1
monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative		201620168.0low000010
hydrocortisone acetate
1
cortisol ester;
tertiary alpha-hydroxy ketone		201620168.0low000010
oxyphenonium bromide
1
201620168.0low000010
corticosterone
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201620168.0low000010
phentolamine
1
imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent		201620168.0low000010
floxuridine
1
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent		201620168.0low000010
neostigmine methylsulfate
1
arylammonium sulfate saltEC 3.1.1.8 (cholinesterase) inhibitor201620168.0low000010
prednisolone acetate
1
corticosteroid hormone201620168.0low000010
trichlorfon
1
organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide		201620168.0low000010
estrone
1
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		201620168.0low000010
androsterone
1
17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone		201620168.0low000010
promazine hydrochloride
1
hydrochloride201620168.0low000010
azauridine
1
N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite		201620168.0low000010
pilocarpine hydrochloride
1
hydrochloride201620168.0low000010
dimethylphenylpiperazinium iodide
1
N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt		nicotinic acetylcholine receptor agonist201620168.0low000010
desoxycorticosterone acetate
1
corticosteroid hormone201620168.0low000010
benzyltrimethylammonium chloride
1
201620168.0medium000010
ethinyl estradiol
1
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen201620168.0low000010
promethazine hydrochloride
1
hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative		201620168.0low000010
uridine
1
uridinesdrug metabolite;
fundamental metabolite;
human metabolite		201620168.0low000010
tolazoline hydrochloride
1
benzenes201620168.0low000010
acetylcholine chloride
1
quaternary ammonium salt201620168.0low000010
methoxamine hydrochloride
1
dimethoxybenzene201620168.0low000010
papaverine hydrochloride
1
201620168.0low000010
bretylium tosylate
1
organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent		201620168.0low000010
methacholine chloride
1
quaternary ammonium salt201620168.0low000010
androstenedione
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		201620168.0low000010
desoxycorticosterone
1
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201620168.0low000010
fluocinolone acetonide
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
norethynodrel
1
oxo steroid201620168.0low000010
17-alpha-hydroxyprogesterone
1
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		201620168.0low000010
chlorpromazine hydrochloride
1
hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug		201620168.0low000010
ampicillin
1
beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug201620168.0low000010
cytarabine hydrochloride
1
201620168.0low000010
trifluridine
1
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor		201620168.0low000010
4-hydroxypropiophenone
1
acetophenones201620168.0low000010
medroxyprogesterone acetate
1
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive		201620168.0low000010
isopropamide iodide
1
diarylmethane201620168.0low000010
mestranol
1
17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen		201620168.0low000010
lidocaine hydrochloride
1
hydrochlorideanti-arrhythmia drug;
local anaesthetic		201620168.0low000010
triamcinolone acetonide
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		201620168.0low000010
dehydrocholic acid
1
12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug201620168.0low000010
methylprednisolone
1
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		201620168.0low000010
9,10-phenanthrenequinone
1
phenanthrenes201620168.0low000010
phenothiazine
1
phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger		201620168.0low000010
mecoprop
1
aromatic ether;
monocarboxylic acid;
monochlorobenzenes		201620168.0low000010
2-methyl-4-chlorophenoxyacetic acid
1
chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin		201620168.0low000010
arsanilic acid
1
organoarsonic acid201620168.0low000010
3-aminobenzoic acid
1
aminobenzoic acid201620168.0low000010
pyridostigmine bromide
1
pyridinium salt201620168.0low000010
thiodipropionic acid
1
dicarboxylic acid201620168.0low000010
imipramine hydrochloride
1
hydrochlorideantidepressant201620168.0low000010
neostigmine bromide
1
bromide salt201620168.0low000010
edrophonium chloride
1
chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor		201620168.0low000010
maltol
1
4-pyranonesmetabolite201620168.0low000010
cinchophen
1
quinolines201620168.0low000010
methapyrilene hydrochloride
1
hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative		201620168.0low000010
phenazopyridine hydrochloride
1
hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic		201620168.0low000010
tetrracaine hydrochloride
1
benzoate ester201620168.0low000010
protocatechualdehyde
1
dihydroxybenzaldehyde201620168.0low000010
20-alpha-dihydroprogesterone
1
20-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite		201620168.0low000010
2-chloroadenosine
1
purine nucleoside201620168.0low000010
diphenhydramine hydrochloride
1
hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative		201620168.0low000010
quinestrol
1
17-hydroxy steroid;
terminal acetylenic compound		xenoestrogen201620168.0low000010
tripelennamine hydrochloride
1
201620168.0medium000010
propantheline bromide
1
xanthenes201620168.0low000010
chlormadinone acetate
1
corticosteroid hormone201620168.0low000010
ethamivan
1
methoxybenzenes;
phenols		201620168.0low000010
pargyline hydrochloride
1
201620168.0low000010
orphenadrine hydrochloride
1
hydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic		201620168.0low000010
fluocinonide
1
organic molecular entity201620168.0low000010
fluorometholone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug201620168.0low000010
xanthinol niacinate
1
201620168.0low000010
glycyrrhetinic acid
1
cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite		201620168.0low000010
podophyllotoxin
1
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		201620168.0low000010
medroxyprogesterone
1
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive		201620168.0low000010
tetrahydrozoline hydrochloride
1
hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		201620168.0low000010
1,2-naphthoquinone
1
1,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent		201620168.0low000010
amitriptyline hydrochloride
1
organic tricyclic compound201620168.0low000010
naphazoline hydrochloride
1
organic molecular entity201620168.0low000010
4,4'-bipyridyl
1
bipyridine201620168.0low000010
doxylamine succinate
1
organic molecular entity201620168.0low000010
monoacetyldapsone
1
acetamides;
anilide;
secondary carboxamide;
sulfone		201620168.0low000010
formestane
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		201620168.0low000010
chlorotrianisene
1
chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen		201620168.0low000010
aminacrine
1
201620168.0medium000010
isoxsuprine hydrochloride
1
alkylbenzene201620168.0low000010
bethanechol chloride
1
carbamate ester;
chloride salt;
quaternary ammonium salt		muscarinic agonist201620168.0low000010
megestrol acetate
1
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		201620168.0low000010
2-hydroxyacetanilide
1
acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite		201620168.0low000010
acetylcysteine
1
acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary		201620168.0low000010
clopamide
1
sulfonamide201620168.0low000010
phosmet
1
organic thiophosphate;
organothiophosphate insecticide;
phthalimides		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		201620168.0low000010
levonorgestrel
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive		201620168.0low000010
malononitrile dimer
1
201620168.0low000010
diphenyl disulfide
1
benzenes201620168.0low000010
cyproheptadine hydrochloride (anhydrous)
1
hydrochloride201620168.0low000010
estradiol valerate
1
steroid ester201620168.0low000010
tetramethylpyrazine
1
alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		201620168.0low000010
2,2'-dipyridylamine
1
201620168.0low000010
pregnenolone carbonitrile
1
aliphatic nitrile201620168.0low000010
flurandrenolone
1
21-hydroxy steroid201620168.0low000010
diethylcarbamazine citrate
1
piperazinecarboxamide201620168.0low000010
azacyclonol
1
diarylmethane201620168.0low000010
5 alpha-androstane-3 alpha,17 beta-diol
1
androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite		201620168.0low000010
guaiacoxyacetic acid
1
201620168.0medium000010
methylene diphosphonate
1
1,1-bis(phosphonic acid)bone density conservation agent;
chelator		201620168.0low000010
amiloride hydrochloride, anhydrous
1
hydrochloridediuretic;
sodium channel blocker		201620168.0low000010
pimozide
1
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		201620168.0low000010
flumethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug201620168.0low000010
azaribine
1
acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug		201620168.0low000010
hydrocortisone hemisuccinate
1
dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone		201620168.0low000010
antazoline hydrochloride
1
201620168.0low000010
mebeverine hydrochloride
1
201620168.0low000010
stavudine
1
dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		201620168.0low000010
clidinium bromide
1
201620168.0low000010
diloxanide furoate
1
carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide		antiamoebic agent;
prodrug		201620168.0low000010
nitroxoline
1
C-nitro compound;
monohydroxyquinoline		antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent		201620168.0low000010
cladribine
1
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		201620168.0low000010
beclomethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug		201620168.0low000010
alverine citrate
1
citrate salt;
organoammonium salt		antispasmodic drug;
cholinergic antagonist		201620168.0low000010
cyclogyl
1
201620168.0low000010
metoclopramide hydrochloride
1
201620168.0low000010
isoetharine mesylate
1
201620168.0low000010
6-nitroindazole
1
201620168.0low000010
hydrocortisone-17-butyrate
1
butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone		dermatologic drug;
drug allergen		201620168.0low000010
benserazide hydrochloride
1
hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		201620168.0low000010
pentamethylmelamine
1
201620168.0low000010
eedq
1
201620168.0low000010
ornidazole
1
C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope		201620168.0low000010
tetridamin
1
201620168.0low000010
metergoline
1
carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist		201620168.0low000010
capobenic acid
1
benzamides201620168.0low000010
thymolphthalein
1
terpene lactone201620168.0low000010
clobetasol propionate
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug201620168.0low000010
frentizole
1
201620168.0low000010
eterobarb
1
barbiturates201620168.0low000010
oxcarbazepine
1
cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen		201620168.0low000010
moricizine hydrochloride
1
hydrochlorideanti-arrhythmia drug201620168.0low000010
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		201620168.0low000010
proroxan hydrochloride
1
201620168.0medium000010
paclitaxel
1
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2007200717.0low000100
etomidate
1
imidazoles201620168.0low000010
buspirone hydrochloride
1
hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist		201620168.0low000010
propafenone hydrochloride
1
hydrochlorideanti-arrhythmia drug201620168.0low000010
bezafibrate
1
aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		201620168.0low000010
sq-11725
1
201620168.0low000010
picobenzide
1
201620168.0low000010
flecainide acetate
1
acetate saltanti-arrhythmia drug201620168.0low000010
nicardipine hydrochloride
1
dihydropyridinegeroprotector201620168.0low000010
triadimenol
1
aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite		201620168.0low000010
captopril
1
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		201620168.0low000010
terazosin hydrochloride anhydrous
1
201620168.0low000010
pergolide mesylate
1
methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector		201620168.0low000010
cerm-1978
1
hydrochloride201620168.0low000010
dazoxiben hydrochloride
1
201620168.0medium000010
lovastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug		201620168.0low000010
mifepristone
1
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		201620168.0low000010
tobramycin sulfate
1
201620168.0medium000010
benzylaminopurine
1
6-aminopurinescytokinin;
plant metabolite		201620168.0low000010
fluoxetine hydrochloride
1
hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine		201620168.0low000010
diltiazem hydrochloride
1
hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent		201620168.0low000010
trazodone hydrochloride
1
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		201620168.0low000010
verapamil hydrochloride
1
201620168.0low000010
doxazosin mesylate
1
methanesulfonate saltgeroprotector201620168.0low000010
amantadine hydrochloride
1
hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist		201620168.0low000010
norharman
1
beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite		201620168.0low000010
desipramine hydrochloride
1
hydrochloridedrug allergen201620168.0low000010
ticlopidine hydrochloride
1
hydrochloride201620168.0low000010
dopamine hydrochloride
1
catecholamine201620168.0low000010
sulconazole, mononitrate, (+-)-isomer
1
conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt		201620168.0low000010
acetylcholine bromide
1
bromide salt;
quaternary ammonium salt		201620168.0medium000010
aloxistatin
1
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		201620168.0low000010
tryptamide
1
201620168.0low000010
trihexyphenidyl hydrochloride
1
aralkylamine201620168.0low000010
oxyphencyclimine hydrochloride
1
pyrimidines201620168.0low000010
thioridazine hydrochloride
1
hydrochloridefirst generation antipsychotic;
geroprotector		201620168.0low000010
diphenylpyraline hydrochloride
1
hydrochloridecholinergic antagonist;
H1-receptor antagonist		201620168.0low000010
procainamide hydrochloride
1
hydrochlorideanti-arrhythmia drug201620168.0low000010
siquil
1
hydrochlorideanticoronaviral agent201620168.0low000010
mepivacaine hydrochloride
1
hydrochloride;
piperidinecarboxamide		local anaesthetic201620168.0low000010
oxymetazoline hydrochloride
1
hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		201620168.0low000010
diphenidol hydrochloride
1
diarylmethane201620168.0medium000010
alprenolol hydrochloride
1
hydrochloride201620168.0low000010
edoxudin
1
pyrimidine 2'-deoxyribonucleoside201620168.0low000010
2-methoxyestradiol
1
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		201620168.0low000010
6-ketoestradiol
1
201620168.0low000010
17 beta-estradiol hemisuccinate
1
201620168.0medium000010
amizyl
1
201620168.0medium000010
salicylhydroxamic acid
1
hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug		201620168.0low000010
1,7-phenanthroline
1
phenanthroline201620168.0low000010
3-fluoro-4-hydroxyphenylacetic acid
1
201620168.0medium000010
dyclonine hydrochloride
1
hydrochloridetopical anaesthetic201620168.0low000010
clomipramine hydrochloride
1
hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug		201620168.0low000010
prazosin hydrochloride
1
hydrochloride201620168.0low000010
mianserin hydrochloride
1
hydrochloridegeroprotector201620168.0low000010
miconazole nitrate
1
201620168.0low000010
econazole nitrate
1
201620168.0low000010
2,4-dimethoxybenzaldehyde
1
201620168.0medium000010
enrofloxacin
1
cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent		201620168.0low000010
clobetasone butyrate
1
organic molecular entity201620168.0low000010
loxapine succinate
1
succinate saltgeroprotector201620168.0low000010
guanfacine hydrochloride
1
acetamidesgeroprotector201620168.0low000010
labetalol hydrochloride
1
salicylamides201620168.0low000010
diflorasone diacetate
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
acecainide hydrochloride
1
201620168.0low000010
loperamide hydrochloride
1
hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		201620168.0low000010
maprotiline hydrochloride
1
anthracenes201620168.0low000010
hydroxyzine dihydrochloride
1
201620168.0medium000010
betamipron
1
organonitrogen compound;
organooxygen compound		201620168.0low000010
secnidazole
1
C-nitro compound;
imidazoles;
secondary alcohol		epitope201620168.0low000010
ergocornine
1
ergot alkaloid201620168.0low000010
pramoxine hydrochloride
1
aromatic ether201620168.0low000010
butyrylcholine chloride
1
201620168.0medium000010
1-benzylimidazole
1
201620168.0low000010
chloropyramine hydrochloride
1
201620168.0low000010
6-aminoindazole
1
indazoles201620168.0medium000010
5-aminoindazole
1
201620168.0low000010
phentolamine mesylate
1
201620168.0low000010
oxybutynin hydrochloride
1
hydrochloride201620168.0low000010
2-methylhippuric acid
1
N-acylglycinemetabolite201620168.0low000010
prilocaine hydrochloride
1
hydrochloridelocal anaesthetic201620168.0low000010
meclizine hydrochloride
1
201620168.0medium000010
11-hydroxyprogesterone, (11alpha)-isomer
1
11alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid		201620168.0low000010
malic acid, (r)-isomer
1
malic acid201620168.0medium000010
21-deoxycortisol
1
11beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone		human blood serum metabolite;
mouse metabolite		201620168.0low000010
estrone 3-methyl ether
1
201620168.0low000010
e-250
1
201620168.0medium000010
rac-glycerol 1-monodecanoate
1
rac-1-monoacylglycerol201620168.0low000010
nipecotic acid amide
1
piperidinecarboxamide201620168.0low000010
levcromakalim
1
1-benzopyran201620168.0low000010
tachistin
1
201620168.0low000010
cortisol octanoate
1
corticosteroid hormone201620168.0medium000010
armepavine
1
201620168.0medium000010
n(6)-phenyladenosine
1
purine nucleoside201620168.0low000010
mizoribine
1
imidazolesanticoronaviral agent201620168.0low000010
alphaxalone
1
corticosteroid hormone201620168.0low000010
bicuculline methiodide
1
201620168.0low000010
beta-carboline-3-carboxylic acid ethyl ester
1
beta-carbolines201620168.0low000010
tryptoline
1
beta-carbolines201620168.0low000010
gamma-fagarine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		201620168.0low000010
betaxolol hydrochloride
1
hydrochlorideantihypertensive agent;
beta-adrenergic antagonist		201620168.0low000010
Zearalanone
1
macrolide;
resorcinols		201620168.0low000010
butethamate citrate
1
201620168.0medium000010
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol
1
piperidines201620168.0low000010
gallopamil hydrochloride
1
201620168.0low000010
histamine dihydrochloride
1
201620168.0medium000010
1,3-dimethylbenzimidazoline-2-thione
1
201620168.0medium000010
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
1
leucine derivative201620168.0low000010
desloratadine
1
benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist		201620168.0low000010
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer
1
201620168.0low000010
dichloro-1,2-diaminocyclohexane platinum complex
1
201620168.0medium000010
1,4-di(2'-thienyl)-1,4-butadione
1
201620168.0medium000010
idazoxan hydrochloride
1
201620168.0low000010
methyl 5-aminolevulinate hydrochloride
1
hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug		201620168.0medium000010
antazoline phosphate
1
201620168.0medium000010
pridinol mesylate
1
201620168.0medium000010
17 alpha-hydroxyprogesterone caproate
1
corticosteroid hormone201620168.0low000010
atropine
1
201620168.0low000010
5-fluorotryptamine monohydrochloride
1
201620168.0medium000010
piribedil mesylate
1
201620168.0medium000010
serc
1
201620168.0medium000010
procyclidine hydrochloride
1
hydrochloride201620168.0low000010
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
1
macrolide201620168.0medium000010
cortisone
1
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201620168.0low000010
equilin
1
17-oxo steroid;
3-hydroxy steroid		201620168.0low000010
adrenosterone
1
11-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite		201620168.0low000010
gossypol acetic acid
1
201620168.0low000010
epinastine
1
corticosteroid hormone201620168.0low000010
benzatropine methanesulfonate
1
201620168.0medium000010
4',6-dihydroxy-5,7-dimethoxyflavone
1
dihydroxyflavone;
dimethoxyflavone		201620168.0medium000010
2-hydroxyestradiol
1
17beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug		201620168.0low000010
medrysone
1
corticosteroid hormone201620168.0low000010
artisone acetate
1
corticosteroid hormone201620168.0medium000010
chondocurine (1beta)-(+-)-isomer
1
aromatic ether201620168.0low000010
4-methoxyxanthone
1
201620168.0low000010
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide
1
amine201620168.0medium000010
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		201620168.0low000010
mandelic acid, (s)-isomer
1
(2S)-2-hydroxy monocarboxylic acid;
mandelic acid		201620168.0medium000010
tosylphenylalanyl chloromethyl ketone
1
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		201620168.0low000010
cortodoxone
1
deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201620168.0low000010
acebutolol hydrochloride
1
hydrochlorideanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent		201620168.0low000010
amiodarone hydrochloride
1
aromatic ketone201620168.0low000010
dicyclomine hydrochloride
1
hydrochlorideantispasmodic drug;
muscarinic antagonist		201620168.0low000010
nortriptyline hydrochloride
1
organic tricyclic compoundgeroprotector201620168.0low000010
difluprednate
1
butyrate ester;
corticosteroid hormone		201620168.0low000010
dironyl
1
organic molecular entity201620168.0low000010
vinpocetine
1
alkaloidgeroprotector201620168.0low000010
amcinonide
1
11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug201620168.0low000010
flumethasone pivalate
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
dihydroergocristine monomesylate
1
methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent		201620168.0low000010
tretinoin
1
retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule		201620168.0low000010
resveratrol
1
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		201620168.0low000010
adenosine-5'-(n-ethylcarboxamide)
1
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		201620168.0low000010
histidyl-proline diketopiperazine
1
dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine		anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite		201620168.0medium000010
afimoxifene
1
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		201620168.0low000010
ketoconazole
1
cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine201620168.0low000010
aphidicolin
1
tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite		201620168.0low000010
azaserine
1
carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite		201620168.0low000010
maltitol
1
alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent		201620168.0low000010
chalcone
1
chalconeEC 3.2.1.1 (alpha-amylase) inhibitor201620168.0low000010
thermospine
1
201620168.0medium000010
dibenzylidene acetone
1
201620168.0low000010
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone
1
cycloheptafuran201620168.0medium000010
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester
1
2-methoxyethyl ester;
benzofurans		201620168.0medium000010
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid
1
indolyl carboxylic acid201620168.0medium000010
haplamine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		201620168.0low000010
octotropine methylbromide
1
201620168.0low000010
diethylstilbestrol dipropionate
1
201620168.0low000010
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol
1
alkylbenzene201620168.0low000010
glycerylphosphorylcholine
1
phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite		201620168.0medium000010
n-methylscopolamine nitrate
1
201620168.0medium000010
propylthiouracil
1
pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist		201620168.0low000010
phenytoin sodium
1
201620168.0medium000010
nsc 4347
1
201620168.0low000010
ipratropium bromide anhydrous
1
201620168.0low000010
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide
1
benzamides201620168.0medium000010
methamilane methiodide
1
201620168.0medium000010
physostigmine salicylate
1
azaheterocycle salicylate salt;
salicylates		201620168.0low000010
pilocarpine nitrate
1
201620168.0low000010
n(6)-cyclopentyladenosine
1
201620168.0low000010
methylatropine nitrate
1
201620168.0low000010
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid
1
coumarins201620168.0medium000010
prothionamide
1
pyridines201620168.0low000010
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
1
benzoxazine201620168.0medium000010
dienestrol
1
201620168.0low000010
methylthiouracil
1
pyrimidone201620168.0low000010
4-methoxy-N-(3-pyridinylmethyl)benzamide
1
benzamides201620168.0medium000010
caffeic acid
1
caffeic acidgeroprotector;
mouse metabolite		201620168.0low000010
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester
1
coumarins201620168.0medium000010
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide
1
phthalimides201620168.0medium000010
urocanic acid
1
urocanic acidhuman metabolite201620168.0low000010
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
1
stilbenoid201620168.0medium000010
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
1
oxadiazole;
ring assembly		201620168.0medium000010
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid
1
psoralens201620168.0medium000010
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
1
pyrimidotriazine201620168.0medium000010
thiothixene
1
N-methylpiperazineanticoronaviral agent201620168.0low000010
curcumin
1
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger		201620168.0low000010
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one
1
pyridochromene201620168.0medium000010
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
1
chromones201620168.0medium000010
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid
1
coumarins201620168.0medium000010
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one
1
coumarins201620168.0medium000010
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone
1
quinolines201620168.0medium000010
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one
1
coumarins201620168.0medium000010
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide
1
aromatic amide;
furans		201620168.0medium000010
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
1
quinolines201620168.0medium000010
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide
1
quinolines201620168.0medium000010
cinnarizine
1
diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist		201620168.0low000010
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone
1
stilbenoid201620168.0medium000010
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
1
benzothiazoles201620168.0medium000010
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
1
dimethoxybenzene201620168.0medium000010
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester
1
flavones;
tert-butyl ester		201620168.0medium000010
ethylenethiourea
1
imidazolidines201620168.0low000010
tacrine hydrochloride
1
201620168.0low000010
p-aminosalicylic acid monosodium salt
1
organic molecular entity201620168.0low000010
digoxin
1
cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope		201620168.0low000010
mecysteine hydrochloride
1
alpha-amino acid ester201620168.0medium000010
ethionamide
1
pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug		201620168.0low000010
2-(2-furanyl)-4-thiazolidinecarboxylic acid
1
organonitrogen compound;
organooxygen compound		201620168.0medium000010
dihydrosamidine
1
201620168.0medium000010
N-(2-methoxycyclohexyl)-3,4-dimethylaniline
1
methylbenzene201620168.0medium000010
eskazine
1
201620168.0low000010
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione
1
methylbenzene201620168.0medium000010
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester
1
isopropyl ester;
piperazines		201620168.0medium000010
zeranol
1
macrolide201620168.0low000010
monooctanoin
1
1-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol		201620168.0low000010
trimethoprim
1
201620168.0medium000010
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid
1
peptide201620168.0medium000010
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide
1
dimethoxybenzene201620168.0medium000010
3-acetyl-6-methyl-1H-quinolin-4-one
1
quinolines201620168.0medium000010
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone
1
aryl sulfide201620168.0medium000010
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
1
imidazolidines201620168.0medium000010
Anthraniloyllycoctonine
1
diterpene alkaloid201620168.0medium000010
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide
1
aromatic amide201620168.0medium000010
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1
harmala alkaloid201620168.0medium000010
diclofenac sodium
1
organic sodium salt201620168.0low000010
biochanin a
1
4'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		201620168.0low000010
prostaglandin b1
1
prostaglandins Bhuman metabolite201620168.0low000010
prostaglandin f1
1
prostaglandins Falphahuman metabolite201620168.0low000010
pulmicort
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen		201620168.0low000010
timolol maleate
1
maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		201620168.0low000010
brompheniramine maleate
1
maleate saltanti-allergic agent201620168.0low000010
zearalenone
1
macrolide;
resorcinols		fungal metabolite;
mycoestrogen		201620168.0low000010
estriol 17-glucuronide
1
steroid saponin201620168.0medium000010
tranilast
1
amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent		201620168.0low000010
4-hydroxyestradiol
1
4-hydroxy steroidmetabolite201620168.0low000010
menatetrenone
1
menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent		201620168.0low000010
xylometazoline hydrochloride
1
201620168.0low000010
ketotifen fumarate
1
organoammonium saltanti-asthmatic drug;
H1-receptor antagonist		201620168.0low000010
dinoprost tromethamine
1
organic molecular entity201620168.0low000010
hydrocortisone valerate
1
cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester		201620168.0low000010
prostaglandin f2 methyl ester
1
prostanoid201620168.0low000010
2-bromoergocryptine mesylate
1
201620168.0medium000010
perhexiline maleate
1
201620168.0low000010
phenoxybenzamine hydrochloride
1
organic molecular entity201620168.0low000010
phenylephrine hydrochloride
1
hydrochloride201620168.0low000010
mepyramine maleate
1
201620168.0low000010
ethisterone
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		drug metabolite;
progestin		201620168.0low000010
nalmefene
1
morphinane alkaloid201620168.0low000010
6alpha-hydroxy-17beta-estradiol
1
6alpha-hydroxy steroid201620168.0medium000010
desoximetasone
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		201620168.0low000010
cytochalasin b
1
cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor		201620168.0low000010
u-44619
1
201620168.0low000010
furazolidone
1
201620168.0low000010
tyrphostin ag 555
1
201620168.0low000010
nifuroxazide
1
benzoic acids201620168.0low000010
molsidomine
1
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		201620168.0low000010
rg 13022
1
201620168.0low000010
styrylquinoline
1
2-styrylquinoline201620168.0low000010
kavain
1
racemateglycine receptor antagonist201620168.0low000010
enalapril maleate
1
maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		201620168.0low000010
trimebutine maleate salt
1
trihydroxybenzoic acid201620168.0low000010
vinblastine sulfate
1
201620168.0low000010
vincristine sulfate
1
201620168.0medium000010
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one
1
isoflavones201620168.0medium000010
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid
1
peptide201620168.0medium000010
n-methylscopolamine bromide
1
201620168.0low000010
naltrexone hydrochloride
1
hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		201620168.0low000010
guanabenz acetate
1
dichlorobenzenegeroprotector201620168.0low000010
nylidrin hydrochloride
1
alkylbenzene201620168.0low000010
triprolidine hydrochloride anhydrous
1
hydrochlorideH1-receptor antagonist201620168.0low000010
phentolamine
1
201620168.0low000010
fendiline hydrochloride
1
201620168.0low000010
tiapridex
1
benzamides201620168.0low000010
nab-365
1
hydrochloridebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		201620168.0medium000010
dithiazanine iodide
1
benzothiazoles;
organic iodide salt		anthelminthic drug;
fluorochrome		201620168.0medium000010
sinequan
1
dibenzooxazepine201620168.0low000010
buflomedil hydrochloride
1
aromatic ketone201620168.0low000010
moxisylyte hydrochloride
1
monoterpenoid201620168.0low000010
dirithromycin
1
macrolide antibioticprodrug201620168.0low000010
fluphenazine
1
201620168.0medium000010
homochlorocyclizine monohydrochloride
1
201620168.0medium000010
butoxamine hydrochloride
1
201620168.0medium000010
scopolamine hydrobromide
1
201620168.0low000010
protriptyline hydrochloride
1
hydrochlorideantidepressant201620168.0low000010
emetine hydrochloride
1
201620168.0medium000010
epinephrine bitartrate
1
201620168.0low000010
bicuculline methobromide
1
201620168.0low000010
6 beta-hydroxycortisol
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mammalian metabolite;
probe		201620168.0low000010
butylscopolammonium bromide
1
201620168.0low000010
androst-16-en-3-one
1
3-oxo steroid;
androstanoid		mammalian metabolite;
pheromone		201620168.0low000010
butaclamol hydrochloride
1
201620168.0low000010
dihydroouabain
1
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
radiosensitizing agent		201620168.0medium000010
LSM-6455
1
peptide ergot alkaloid201620168.0medium000010
estradiol 17-acetate
1
steroid ester201620168.0low000010
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione
1
pyrrolidines201620168.0medium000010
3-morpholino-sydnonimine monohydrochloride
1
201620168.0low000010
cefotaxime sodium
1
organic sodium salt201620168.0low000010
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine
1
pyrazoles;
ring assembly		201620168.0medium000010
bucladesine
1
3',5'-cyclic purine nucleotide201620168.0low000010
ampicillin sodium
1
organic sodium salt201620168.0low000010
penicillin g potassium
1
organic potassium salt201620168.0low000010
piperacillin sodium
1
organic sodium salt201620168.0low000010
cefoxitin sodium
1
organic molecular entity201620168.0low000010
nafcillin sodium
1
organic sodium salt201620168.0low000010
cefamandole nafate
1
organic sodium saltantibacterial drug201620168.0low000010
sodium diatrizoate
1
organic sodium salt;
organoiodine compound		radioopaque medium201620168.0low000010
estrone sulfate, potassium salt
1
201620168.0medium000010
cefazolin sodium
1
organic sodium salt201620168.0low000010
naproxen sodium
1
organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
oxytetracycline, anhydrous
1
201620168.0low000010
piroxicam
1
benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		201620168.0low000010
acenocoumarol
1
C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor		201620168.0low000010
mobic
1
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		201620168.0low000010
mobiflex
1
heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201620168.0low000010
demeclocycline hydrochloride
1
201620168.0low000010
acyclovir
1
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		201620168.0low000010
inosine
1
inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201620168.0low000010
clozapine
1
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic		201620168.0low000010
ganciclovir
1
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		201620168.0low000010
allopurinol
1
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		201620168.0low000010
pralidoxime iodide
1
organic iodide salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator		201620168.0medium000010
pralidoxime chloride
1
organic chloride salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator		201620168.0low000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc
1
amino tetrasaccharide;
glucosamine oligosaccharide		epitope2001200123.0low000100
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Allodynia0
1
2009200915.0low000100
Benign Neoplasms0
1
2007200717.0low000100
Congenital Zika Syndrome0
1
202020204.0low000010
Cystic Fibrosis0
1
201620168.0low000010
Cystic Fibrosis of Pancreas0
1
201620168.0low000010
Disease Models, Animal0
2
200920209.5medium000110
Encephalitis, Polio0
1
2011201113.0low000010
Inflammation0
1
2010201014.0low000100
Innate Inflammatory Response0
1
2010201014.0low000100
Neoplasms0
1
2007200717.0low000100
Peritonitis0
1
2001200123.0low000100
Poliomyelitis0
1
2011201113.0low000010
Primary Peritonitis0
1
2001200123.0low000100
Zika Virus Infection0
1
202020204.0low000010