Compounds > rabeprazole sodium
Page last updated: 2024-08-03 01:13:20

rabeprazole sodium

Description

rabeprazole sodium : no description available [CHeBI]

Cross-References

ID SourceID
PubMed CID14720269
CHEMBL ID1200930
SCHEMBL ID140494
CHEBI ID8769
MeSH IDM0397730

Synonyms (117)

Synonym
AC-715
rebeprazole sodium
aciphex
sodium rabeprazole
pariet
sodium 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)benzimidazol-1-ide
CHEBI:8769 ,
rabeprazole sodium salt
pariprazole sodium
e 3810
e3810
1h-benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-, sodium salt
ly 307640 sodium
rabeprazole sodium [usan]
ly-307640
2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridyl)methyl)sulfinyl)benzimidazole sodium salt
117976-90-6
rabeprazole sodium
C07865
NCGC00159518-02
aciphex (tn)
rabeprazole sodium (jp17/usp)
pariet (tn)
D00724
MLS001165734
smr000550493
HMS2093H10
CHEMBL1200930
idiazole
nsc-759270
ly-307640 sodium
rabeprazole na
e-3810 sodium
ly307640 sodium
2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-1h-benzimidazole, sodium salt
NCGC00255838-01
dtxsid3044205 ,
cas-117976-90-6
tox21_302317
dtxcid1024205
tox21_111736
HMS2231E04
S4665
AKOS015962116
unii-3l36p16u4r
nsc 759270
rabicip
aciphex sprinkle
3l36p16u4r ,
pepcia
FT-0631090
AKOS015895734
sodium, rabeprazole
HMS3373B05
AKOS025310160
rabeprazole sodium salt [mi]
rabeprazole sodium [usp-rs]
rabeprazole na [vandf]
rabeprazole sodium [who-dd]
rabeprazole sodium [orange book]
rabeprazole sodium [ep monograph]
rabeprazole sodium [usp monograph]
2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methyl]sulfinyl]benzimidazole sodium salt
rabeprazole sodium [mart.]
rabeprazole sodium [jan]
CCG-213574
rabeprazole (sodium)
HY-B0656A
MLS006010621
SCHEMBL140494
1h-benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-, sodium salt (1:1)
AM81231
NCGC00159518-05
tox21_111736_1
KRCQSTCYZUOBHN-UHFFFAOYSA-N
Q-201655
[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazol-1-yl]sodium
171440-19-0
(s)-rabeprazole sodium salt
R0115
rebeprazole sodium;
EX-A176
dexrabeprazole sodium
habeprazole sodium
aciphex sodium
sr-01000799133
SR-01000799133-2
rabeprazole sodium, >=98% (hplc)
pariete
J-010726
sodium 2-((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methylsulfinyl)benzo[d]imidazol-1-ide
bdbm50247881
FT-0689461
BCP06639
F17418
sodium (s)-2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide
mfcd02092688
sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide
Q27108142
AS-13338
CCG-268423
sodium;2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1h-benzimidazole
sodium;2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
BR167318
rabeprazole sodium- bio-x
dexrabeprazolesodium
raberprazole sodium d/r
monosodium (rs)-2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1h-benzimidazolide
rabeprazole sodium (mart.)
sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzimidazol-1-ide
rablet
rabeprazole sodium delayed-release
rabeprazole sodium (usp-rs)
(former jan: sodium rabeprazole)
rabeprazole sodium (usp monograph)
rabeprazole sodium (ep monograph)
rabeprazole sodiumdr

Drug Classes (1)

ClassDescription
organic sodium salt

Protein Targets (50)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency22.3872AID485294
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency32.5455AID2451; AID2785
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency35.4813AID504339
LuciferasePhotinus pyralis (common eastern firefly)Potency21.3313AID588342
acetylcholinesteraseHomo sapiens (human)Potency35.1902AID1347395; AID1347398; AID1347399
phosphopantetheinyl transferaseBacillus subtilisPotency50.1187AID1490
RAR-related orphan receptor gammaMus musculus (house mouse)Potency9.5330AID1159521; AID1159523
ATAD5 protein, partialHomo sapiens (human)Potency25.9185AID504467
PPM1D proteinHomo sapiens (human)Potency0.8289AID1347411
TDP1 proteinHomo sapiens (human)Potency21.6358AID686978; AID686979
GLI family zinc finger 3Homo sapiens (human)Potency45.6976AID1259369; AID1259392
AR proteinHomo sapiens (human)Potency22.0535AID1259243; AID1259247; AID743035; AID743040; AID743042; AID743054; AID743063
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency17.7828AID720542
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency10.7660AID1224838; AID1224839; AID1224893
progesterone receptorHomo sapiens (human)Potency40.0673AID1346784; AID1346795
regulator of G-protein signaling 4Homo sapiens (human)Potency44.6684AID504845
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency5.3538AID720692
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency11.2830AID1159552; AID1159553; AID1159555
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency14.1170AID1224841; AID1224842; AID1224848; AID1224849; AID1259401
pregnane X nuclear receptorHomo sapiens (human)Potency15.6190AID1346982; AID1346985
estrogen nuclear receptor alphaHomo sapiens (human)Potency32.4093AID1259244; AID1259248; AID1259383; AID743069; AID743078; AID743079; AID743080; AID743091
cytochrome P450 2D6Homo sapiens (human)Potency27.5404AID1645840
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency22.3872AID504333
peroxisome proliferator activated receptor gammaHomo sapiens (human)Potency43.4864AID743191
aryl hydrocarbon receptorHomo sapiens (human)Potency7.7498AID743085; AID743122
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_aHomo sapiens (human)Potency2.0148AID743083
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency0.0008AID1159526
nuclear receptor subfamily 1, group I, member 2Rattus norvegicus (Norway rat)Potency14.1254AID1346983
Histone H2A.xCricetulus griseus (Chinese hamster)Potency126.3290AID1224845
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency35.4813AID2100
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.1623AID485313
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency18.6116AID504847; AID602199; AID602200; AID602201
chromobox protein homolog 1Homo sapiens (human)Potency22.3872AID540317
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency40.4165AID743065; AID743067
histone deacetylase 9 isoform 3Homo sapiens (human)Potency33.0446AID1259364; AID1259388
pyruvate kinase PKM isoform aHomo sapiens (human)Potency28.1838AID1631; AID1634
ras-related protein Rab-9AHomo sapiens (human)Potency2.8184AID485297
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency21.1923AID720504
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency18.0442AID743202; AID743219
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.1251AID588590
gemininHomo sapiens (human)Potency0.7943AID624297
Voltage-dependent calcium channel gamma-2 subunitMus musculus (house mouse)Potency43.1011AID1259244
Interferon betaHomo sapiens (human)Potency0.8289AID1347411
Glutamate receptor 2Rattus norvegicus (Norway rat)Potency43.1011AID1259244

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Replicase polyprotein 1abBetacoronavirus England 1IC5010.0000AID1640022
ATP-binding cassette sub-family C member 3Homo sapiens (human)IC50133.0000AID1473740
Multidrug resistance-associated protein 4Homo sapiens (human)IC50133.0000AID1473741
Bile salt export pumpHomo sapiens (human)IC5033.9000AID1473738
Replicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2IC500.7400AID1640021
Canalicular multispecific organic anion transporter 1Homo sapiens (human)IC50133.0000AID1473739

Bioassays (50)

Assay IDTitleYearJournalArticle
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560		Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937		High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937		High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1508612NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling2017Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3
ISSN: 1464-3391		Highly predictive and interpretable models for PAMPA permeability.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
ISSN: 1083-351X		Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
ISSN: 1083-351X		Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
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.
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.
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.
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.
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.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
ISSN: 1552-454X		A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2022Journal of enzyme inhibition and medicinal chemistry, Dec, Volume: 37, Issue:1
ISSN: 1475-6374
AID604277Inhibition of H+/K+ATPase in pig gastric microsome assessed as liberation of inorganic phosphate using ATP at 10 uM relative to control2011Bioorganic & medicinal chemistry letters, Jul-15, Volume: 21, Issue:14
ISSN: 1464-3405		A reverse method for diversity introduction of benzimidazole to synthesize H(+)/K(+)-ATP enzyme inhibitors.
AID1473991Ratio of drug concentration at steady state in human at 20 to 100 mg, po QD or 60 mg, po BID after 12 hrs to IC50 for human BSEP overexpressed in Sf9 insect cells2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929		A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1473738Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929		A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1473739Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929		A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1473740Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929		A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1473741Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929		A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1473989AUC in human at 20 to 100 mg, po QD or 60 mg, po BID after 12 hrs2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929		A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1473990Drug concentration at steady state in human at 20 to 100 mg, po QD or 60 mg, po BID after 12 hrs2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929		A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID604278Inhibition of H+/K+ATPase in pig gastric microsome assessed as liberation of inorganic phosphate using ATP2011Bioorganic & medicinal chemistry letters, Jul-15, Volume: 21, Issue:14
ISSN: 1464-3405		A reverse method for diversity introduction of benzimidazole to synthesize H(+)/K(+)-ATP enzyme inhibitors.

Research

Studies (18)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (5.56)29.6817
2010's10 (55.56)24.3611
2020's7 (38.89)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%
Other18 (100.00%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
meclofenamate sodium anhydrous
0
organic sodium salt00low000000
4-phenylbutyric acid, sodium salt
0
organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug		00low000000
sodium citrate, anhydrous
0
organic sodium saltanticoagulant;
flavouring agent		00low000000
sulfobromophthalein sodium
0
organic sodium saltdye00low000000
suramin sodium
0
organic sodium saltangiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug		00low000000
evans blue
0
organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent		00low000000
sodium carbonate
0
carbonate salt;
organic sodium salt		00low000000
eosine yellowish-(ys)
0
organic sodium salt;
organobromine compound		fluorochrome;
histological dye		00low000000
fast green fcf
0
organic sodium saltfluorochrome;
food colouring;
histological dye		00low000000
dexamethasone sodium phosphate
0
organic sodium saltglucocorticoid receptor agonist00low000000
red 2g
0
organic sodium salthistological dye00low000000
biebrich scarlet
0
organic sodium salthistological dye00low000000
chromotrope 2r
0
organic sodium salthistological dye00low000000
carbenicillin disodium
0
organic sodium salt00low000000
light green sf
0
organic sodium salthistological dye00low000000
brilliant crocein
0
organic sodium salthistological dye00low000000
etidronate disodium
0
organic sodium saltantineoplastic agent;
bone density conservation agent;
chelator		00low000000
sytron
0
iron chelate;
organic sodium salt		00low000000
cromolyn sodium
0
organic sodium saltanti-asthmatic drug;
drug allergen		00low000000
clodronate disodium
0
one-carbon compound;
organic sodium salt		bone density conservation agent00low000000
foscarnet sodium
0
one-carbon compound;
organic sodium salt		antiviral drug00low000000
pyranine
0
organic sodium saltfluorochrome00low000000
betamethasone sodium phosphate
0
organic sodium salt;
tertiary alpha-hydroxy ketone		00low000000
c.i. direct red 80
0
organic sodium saltfluorochrome;
histological dye		00low000000
disodium alpha-sulfobenzylpenicillin
0
organic sodium salt00low000000
estramustine phosphate sodium
0
organic sodium salt00low000000
sodium thiocyanate
0
organic sodium salt00low000000
sodium bicarbonate
0
one-carbon compound;
organic sodium salt		antacid;
food anticaking agent		00low000000
sodium acetate, anhydrous
0
organic sodium saltNMR chemical shift reference compound00low000000
sodium benzoate
0
organic sodium saltalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite		00low000000
dipyrone
0
organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug		00low000000
formic acid, sodium salt
0
organic sodium saltastringent;
buffer		00low000000
sodium propionate
0
organic sodium saltantifungal drug;
food preservative		00low000000
ponceau s
0
organic sodium salt;
organosulfonate salt		fluorochrome;
histological dye		00low000000
sodium ethoxide
0
organic sodium saltnucleophilic reagent00low000000
nabam
0
dithiocarbamate salt;
organic sodium salt		antifungal agrochemical00low000000
sodium dodecyl sulfate
0
organic sodium saltdetergent;
protein denaturant		00low000000
chloramine-t
0
organic sodium saltallergen;
antifouling biocide;
disinfectant		00low000000
primuline
0
organic sodium salt;
organosulfonate salt		fluorochrome;
histological dye		00low000000
metanil yellow
0
organic sodium salthistological dye00low000000
alizarin red s
0
organic sodium salt;
organosulfonate salt		histological dye00low000000
diclofenac sodium
0
organic sodium salt00low000000
sodium butyrate
0
organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector		00low000000
sulfacetamide sodium
0
hydrate;
organic sodium salt		antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor		00low000000
lasalocid sodium
0
benzoates;
organic sodium salt		coccidiostat;
ionophore		00low000000
b 1287
0
organic sodium salt00low000000
lissamine rhodamine b
0
organic sodium saltfluorescent probe;
fluorochrome;
histological dye		00low000000
cefotaxime sodium
0
organic sodium salt00low000000
l 749345
0
organic sodium saltantibacterial drug00low000000
thiopental sodium
0
organic sodium saltintravenous anaesthetic00low000000
eosine i bluish
0
organic sodium saltfluorescent dye;
histological dye		00low000000
pantoprazole sodium
0
organic sodium saltanti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		00low000000
azocarmine g
0
organic sodium salthistological dye00low000000
pravastatin sodium
0
organic sodium salt;
statin (semi-synthetic)		anticholesteremic drug00low000000
valproate sodium
0
organic sodium saltgeroprotector00low000000
tazobactam sodium
0
organic sodium saltantiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor		00low000000
cilastatin sodium
0
organic sodium saltEC 3.4.13.19 (membrane dipeptidase) inhibitor;
protease inhibitor		00low000000
beraprost sodium
0
organic sodium saltanti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent		00low000000
tofisopam
0
organic sodium saltantipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
azuletil sodium
0
organic sodium salt;
organosulfonate salt		anti-ulcer drug;
thromboxane A2 antagonist		00low000000
brequinar sodium
0
organic sodium saltanticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor		00low000000
sri 62320
0
organic sodium salt;
statin (synthetic)		00low000000
methylprednisolone suleptanate
0
organic sodium saltanti-asthmatic drug;
anti-inflammatory agent;
glucocorticoid receptor agonist;
prodrug		00low000000
ampicillin sodium
0
organic sodium salt00low000000
cerivastatin sodium
0
organic sodium salt;
statin (synthetic)		00low000000
montelukast sodium
0
organic sodium salt00low000000
cyanotriphenylborate
0
organic sodium salt;
tetraorganoborate salt		00low000000
thiopental sodium
0
organic sodium saltintravenous anaesthetic00low000000
ahr 5850
0
organic sodium saltcyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor		00low000000
cefamandole nafate
0
organic sodium saltantibacterial drug;
prodrug		00low000000
cytomel
0
organic sodium salt00low000000
letter
0
organic sodium salt00low000000
sodium lactate
0
lactate salt;
organic sodium salt		food acidity regulator;
food preservative		00low000000
cefmetazole sodium
0
organic sodium saltantimicrobial agent00low000000
piperacillin sodium
0
organic sodium salt00low000000
methicillin sodium
0
organic sodium salt00low000000
dicloxacillin sodium
0
organic sodium salt00low000000
nafcillin sodium
0
organic sodium salt00low000000
oxacillin sodium
0
organic sodium salt00low000000
sodium cholate
0
cholate salt;
organic sodium salt		00low000000
penicillin g sodium
0
organic sodium salt00low000000
cefamandole nafate
0
organic sodium saltantibacterial drug00low000000
sodium diatrizoate
0
organic sodium salt;
organoiodine compound		radioopaque medium00low000000
docusate sodium
0
organic sodium salt00low000000
phenobarbital sodium
0
barbiturates;
organic sodium salt		00low000000
cephapirin sodium
0
cephalosporin;
organic sodium salt		antibacterial drug00low000000
cloxacillin sodium
0
organic sodium salt00low000000
sodium cephalothin
0
organic sodium salt00low000000
cefazolin sodium
0
organic sodium salt00low000000
tolmetin sodium
0
hydrate;
organic sodium salt		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		00low000000
nuclear fast red
0
organic sodium saltfluorochrome;
histological dye		00low000000
fractals
0
organic sodium salt;
statin (synthetic)		00low000000
prednisolone sodium succinate
0
organic sodium saltanti-inflammatory drug00low000000
naproxen sodium
0
organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
alendronate sodium
0
hydrate;
organic sodium salt		bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor		00low000000
azlocillin sodium
0
organic sodium salt00low000000
nafcillin sodium
0
hydrate;
organic sodium salt		00low000000
nxl 104
0
organic sodium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor		00low000000
methampicillin, monosodium salt, (2s-(2alpha,5alpha,6beta(s*)))-isomer
0
organic sodium salt00low000000
ssr128129e
0
organic sodium saltantineoplastic agent;
fibroblast growth factor receptor antagonist		00low000000
8-bromocyclic gmp, sodium salt
0
organic sodium saltmuscle relaxant;
protein kinase G agonist		00low000000
dy-676
0
organic sodium saltfluorochrome00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
melatonin
1
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		2013201311.0low000010
pyrazinamide
1
monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug		2013201311.0low000010
b 844-39
1
diarylmethane201720177.0low000010
pk 11195
1
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent201720177.0low000010
1-(3-chlorophenyl)piperazine
1
monochlorobenzenes;
N-arylpiperazine		drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic		2013201311.0low000010
jtv519
1
201720177.0medium000010
tacrine
1
acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor2013201311.0low000010
acetaminophen
1
acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2013201311.0low000010
acetazolamide
1
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		2013201311.0low000010
albendazole
1
aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator		2013201311.0low000010
albuterol
1
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		2013201311.0low000010
alprazolam
1
organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic		201720177.0low000010
alprenolol
1
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent		2013201311.0low000010
diatrizoic acid
1
acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic		2013201311.0low000010
aminoglutethimide
1
dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2013201311.0low000010
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		2013201311.0low000010
amiodarone
1
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug2013201311.0low000010
dan 2163
2
aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic		201320179.0low000020
amitriptyline
1
carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic		2013201311.0low000010
amlexanox
2
monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug		201320179.0low000020
amlodipine
1
dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent		2013201311.0low000010
amoxapine
1
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor		2013201311.0low000010
amsacrine
1
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		2013201311.0low000010
anastrozole
1
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2013201311.0low000010
anthralin
1
anthracenesantipsoriatic2013201311.0low000010
antipyrine
1
pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2013201311.0low000010
aspirin
1
benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent		2013201311.0low000010
astemizole
2
benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist		201320179.0low000020
atenolol
1
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		2013201311.0low000010
azathioprine
1
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug		2013201311.0low000010
baclofen
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant		2013201311.0low000010
benzbromarone
2
1-benzofurans;
aromatic ketone		uricosuric drug201320179.0low000020
benzocaine
1
benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic		2013201311.0low000010
bicalutamide
1
(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol		2013201311.0low000010
bay h 4502
1
biphenyls;
imidazoles		2013201311.0low000010
bisacodyl
1
diarylmethane2013201311.0low000010
bisindolylmaleimide i
1
201720177.0low000010
bromopride
1
benzamides2013201311.0low000010
bronopol
1
nitro compound2013201311.0low000010
bufexamac
1
aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		201720177.0low000010
bumetanide
1
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		2013201311.0low000010
busulfan
1
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent		2013201311.0low000010
cadralazine
1
organic molecular entity201720177.0low000010
caffeine
1
purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic		2013201311.0low000010
verapamil
1
aromatic ether;
nitrile;
polyether;
tertiary amino compound		2013201311.0low000010
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		2013201311.0low000010
carmustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2013201311.0low000010
carprofen
1
carbazoles;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent		2013201311.0low000010
carvedilol
1
carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent		2013201311.0low000010
celecoxib
1
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2013201311.0low000010
chlorambucil
1
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2013201311.0low000010
chlorcyclizine
1
diarylmethane201720177.0low000010
chlordiazepoxide
1
benzodiazepine2013201311.0low000010
chloroquine
1
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		2013201311.0low000010
chlorpheniramine
1
monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor		2013201311.0low000010
chlorpromazine
1
organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug		2013201311.0low000010
chlorpropamide
1
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2013201311.0low000010
chlorthalidone
1
isoindoles;
monochlorobenzenes;
sulfonamide		2013201311.0low000010
chlorzoxazone
1
1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative		2013201311.0low000010
ci 994
1
acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor		201720177.0low000010
cifenline
1
diarylmethane2013201311.0low000010
ciclopirox
1
cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone		antibacterial agent;
antiseborrheic		2013201311.0low000010
ciglitazone
1
aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug		2013201311.0low000010
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		2013201311.0low000010
cimetidine
1
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2013201311.0low000010
ciprofibrate
1
cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug2013201311.0low000010
ciprofloxacin
1
aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic		2013201311.0low000010
citalopram
1
2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound		2013201311.0low000010
clioquinol
1
monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator		2013201311.0low000010
clobazam
1
1,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator		2013201311.0low000010
clofazimine
1
monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug		2013201311.0low000010
clofibrate
1
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		2013201311.0low000010
clomiphene
1
tertiary amineestrogen antagonist;
estrogen receptor modulator		2013201311.0low000010
clomipramine
1
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor		2013201311.0low000010
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide
1
sulfonamide2013201311.0low000010
cyclosporine
1
201720177.0medium000010
dapsone
1
substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug		2013201311.0low000010
desipramine
1
dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor		2013201311.0low000010
diazepam
1
1,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic		2013201311.0low000010
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		2013201311.0low000010
dipyridamole
1
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2013201311.0low000010
disopyramide
1
monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug2013201311.0low000010
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		2013201311.0low000010
domperidone
1
benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist		2013201311.0low000010
donepezil
1
aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent		2013201311.0low000010
doxepin
1
dibenzooxepine;
tertiary amino compound		antidepressant2013201311.0low000010
ebastine
1
organic molecular entity2013201311.0low000010
enoxacin
1
1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor		2013201311.0low000010
ethacrynic acid
1
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic		2013201311.0low000010
ethosuximide
1
dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker		2013201311.0low000010
brl 42810
1
2-aminopurines;
acetate ester		antiviral drug;
prodrug		2013201311.0low000010
4-biphenylylacetic acid
1
biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug2013201311.0low000010
felodipine
1
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2013201311.0low000010
fenbendazole
1
aryl sulfide;
benzimidazoles;
carbamate ester		antinematodal drug201720177.0low000010
fenofibrate
1
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		2013201311.0low000010
berotek
1
resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent		201720177.0low000010
fleroxacin
1
difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor		2013201311.0low000010
fluconazole
1
conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic		2013201311.0low000010
flucytosine
1
aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug2013201311.0low000010
flumazenil
1
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		2013201311.0low000010
fluorescite
1
benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium		2013201311.0low000010
fluorouracil
1
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2013201311.0low000010
fluoxetine
1
(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound		2013201311.0low000010
flutamide
1
(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent		2013201311.0low000010
furosemide
1
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2013201311.0low000010
gemfibrozil
1
aromatic etherantilipemic drug2013201311.0low000010
gliclazide
1
N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger		2013201311.0low000010
glimepiride
1
sulfonamide2013201311.0low000010
glipizide
1
aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue		2013201311.0low000010
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		2013201311.0low000010
go 6976
1
indolocarbazole;
organic heterohexacyclic compound		EC 2.7.11.13 (protein kinase C) inhibitor201720177.0low000010
guanfacine
1
acetamides2013201311.0low000010
haloperidol
2
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		201320179.0low000020
homochlorocyclizine
1
diarylmethane201720177.0low000010
hydrochlorothiazide
1
benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		2013201311.0low000010
hydroflumethiazide
1
benzothiadiazine;
thiazide		antihypertensive agent;
diuretic		2013201311.0low000010
hydroxyurea
1
one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent		2013201311.0low000010
hydroxyzine
1
hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist		201720177.0low000010
lidocaine
1
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		2013201311.0low000010
ifenprodil
1
piperidines201720177.0low000010
ifosfamide
1
ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic		2013201311.0low000010
imipramine
1
dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		2013201311.0low000010
amrinone
1
bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor2013201311.0low000010
indapamide
1
indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic		2013201311.0low000010
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		2013201311.0low000010
iohexol
1
benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic		2013201311.0low000010
iproniazid
1
carbohydrazide;
pyridines		2013201311.0low000010
avapro
1
azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2013201311.0low000010
isoniazid
1
carbohydrazideantitubercular agent;
drug allergen		2013201311.0low000010
isradipine
1
benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester		2013201311.0low000010
itraconazole
1
piperazines2013201311.0low000010
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone
1
naphthalenes201720177.0low000010
ketamine
2
cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic		201320179.0low000020
ketanserin
1
aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		2013201311.0low000010
ketoconazole
1
dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine		2013201311.0low000010
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		201720177.0low000010
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		2013201311.0low000010
lansoprazole
1
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		2013201311.0low000010
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		2013201311.0low000010
letrozole
1
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2013201311.0low000010
lofepramine
1
aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant2013201311.0low000010
lomustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2013201311.0low000010
loratadine
1
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		2013201311.0low000010
maprotiline
1
anthracenes2013201311.0low000010
mebendazole
2
aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator		201320179.0low000020
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		2013201311.0low000010
mephenesin
1
aromatic ether;
glycerol ether		201720177.0low000010
metformin
1
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic		2013201311.0low000010
metoclopramide
1
benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic		2013201311.0low000010
metoprolol
1
aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic		2013201311.0low000010
metronidazole
1
C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic		2013201311.0low000010
mexiletine
1
aromatic ether;
primary amino compound		anti-arrhythmia drug2013201311.0low000010
midazolam
1
imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative		2013201311.0low000010
minoxidil
1
dialkylarylamine;
tertiary amino compound		2013201311.0low000010
mirtazapine
1
benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist		2013201311.0low000010
moclobemide
1
benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic		2013201311.0low000010
acecainide
1
acetamides;
benzamides		anti-arrhythmia drug2013201311.0low000010
nadolol
1
tetralins2013201311.0low000010
nalidixic acid
1
1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor		2013201311.0low000010
nefazodone
1
aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor		2013201311.0low000010
nefopam
1
benzoxazocine;
tertiary amino compound		2013201311.0low000010
neostigmine
1
quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		2013201311.0low000010
nevirapine
1
cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
nicardipine
1
benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound		2013201311.0low000010
niclosamide
1
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		201720177.0low000010
nifedipine
1
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2013201311.0low000010
nimesulide
1
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2013201311.0low000010
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		2013201311.0low000010
nisoldipine
1
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester		2013201311.0low000010
nitrazepam
1
1,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative		2013201311.0low000010
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		2013201311.0low000010
norfloxacin
1
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic		2013201311.0low000010
nortriptyline
1
organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite		2013201311.0low000010
ofloxacin
1
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		2013201311.0low000010
omeprazole
2
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		2011201312.0low000020
ondansetron
1
carbazoles2013201311.0low000010
oxaprozin
1
1,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug		2013201311.0low000010
oxibendazole
1
benzimidazoles;
carbamate ester		201720177.0low000010
oxybutynin
1
acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic		2013201311.0low000010
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine
1
201720177.0low000010
papaverine
1
benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent		2013201311.0low000010
pemoline
1
1,3-oxazolescentral nervous system stimulant2013201311.0low000010
pentamidine
1
aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic		2013201311.0low000010
pentoxifylline
1
oxopurine2013201311.0low000010
perphenazine
2
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		201320179.0low000020
phenacetin
1
acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug		2013201311.0low000010
pimobendan
1
benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		201720177.0low000010
pindolol
1
indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent		2013201311.0low000010
pioglitazone
1
aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic		2013201311.0low000010
piracetam
1
organonitrogen compound;
organooxygen compound		2013201311.0low000010
piribedil
1
N-arylpiperazine2013201311.0low000010
ag 1879
1
aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine		beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		201720177.0low000010
ono 1078
1
chromones2013201311.0low000010
pyranoprofen
1
pyridochromene2013201311.0low000010
praziquantel
1
isoquinolines2013201311.0low000010
prazosin
1
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		2013201311.0low000010
primaquine
1
aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial2013201311.0low000010
primidone
1
pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic		2013201311.0low000010
probenecid
1
benzoic acids;
sulfonamide		uricosuric drug2013201311.0low000010
procainamide
1
benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker		2013201311.0low000010
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		2013201311.0low000010
procyclidine
1
pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist		2013201311.0low000010
promethazine
1
phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative		2013201311.0low000010
propafenone
1
aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug2013201311.0low000010
propranolol
1
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		2013201311.0low000010
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
1
indoles201720177.0low000010
ranitidine
1
aralkylamine2013201311.0low000010
riluzole
1
benzothiazoles2013201311.0low000010
risperidone
1
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist		2013201311.0low000010
ro 31-8220
1
imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor201720177.0low000010
rofecoxib
1
butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2013201311.0low000010
ropinirole
1
indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist		201720177.0low000010
sulfadiazine
1
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic		2013201311.0low000010
sotalol
1
ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic		2013201311.0low000010
imatinib
1
aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		2013201311.0low000010
vorinostat
2
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		201320179.0low000020
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		2013201311.0low000010
sulfanitran
1
sulfonamide2013201311.0low000010
sulfasalazine
1
2013201311.0low000010
sulfisoxazole
1
isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen		2013201311.0low000010
sumatriptan
1
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent		2013201311.0low000010
gatifloxacin
1
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		2013201311.0low000010
tazarotene
1
acetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane		keratolytic drug;
prodrug;
teratogenic agent		2013201311.0low000010
temozolomide
1
imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug		2013201311.0low000010
terazosin
1
furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent		2013201311.0low000010
terbutaline
1
phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent		2013201311.0low000010
terfenadine
1
diarylmethane2013201311.0low000010
thiotepa
1
aziridines2013201311.0low000010
tiapride
1
benzamides2013201311.0low000010
tilorone
1
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist		2013201311.0low000010
tinidazole
1
imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug		2013201311.0low000010
tizanidine
1
benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant		2013201311.0low000010
nikethamide
1
pyridinecarboxamide2013201311.0low000010
tolbutamide
1
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		2013201311.0low000010
tolnaftate
1
monothiocarbamic esterantifungal drug2013201311.0low000010
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
1
stilbenoid201720177.0medium000010
trazodone
1
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		2013201311.0low000010
triamterene
1
pteridinesdiuretic;
sodium channel blocker		2013201311.0low000010
trifluperidol
1
aromatic ketone201720177.0low000010
trimethoprim
1
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		2013201311.0low000010
troglitazone
1
chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent		2013201311.0low000010
thenoyltrifluoroacetone
1
2013201311.0low000010
undecylenic acid
1
undecenoic acidantifungal drug;
plant metabolite		2013201311.0low000010
urapidil
1
piperazines2013201311.0low000010
venlafaxine
1
cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic		2013201311.0low000010
vigabatrin
1
gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor		2013201311.0low000010
pirinixic acid
1
aryl sulfide;
organochlorine compound;
pyrimidines		2013201311.0low000010
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
1
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		201720177.0low000010
ici 204,219
1
carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist		2013201311.0low000010
zaleplon
1
nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative		2013201311.0low000010
zonisamide
1
1,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker		2013201311.0low000010
zopiclone
1
monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative		2013201311.0low000010
zotepine
1
dibenzothiepine;
tertiary amino compound		alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug		201720177.0low000010
prednisolone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic		2013201311.0low000010
reserpine
1
alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic		2013201311.0low000010
penicillamine
1
non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen		2013201311.0low000010
carbon tetrachloride
1
chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant		2013201311.0low000010
chloramphenicol
1
C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor		2013201311.0low000010
ethinyl estradiol
1
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen2013201311.0low000010
tubocurarine
1
bisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist		2013201311.0low000010
apomorphine
1
aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug		2013201311.0low000010
kanamycin a
1
kanamycinsbacterial metabolite2013201311.0low000010
levodopa
1
amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug		2013201311.0low000010
colchicine
2
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		201320179.0low000020
triamcinolone diacetate
1
corticosteroid hormone2013201311.0low000010
benziodarone
1
aromatic ketone201720177.0low000010
cytarabine
1
beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent		2013201311.0low000010
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		2013201311.0low000010
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		2013201311.0low000010
methylprednisolone
1
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		2013201311.0low000010
rotenone
1
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		2013201311.0low000010
trehalose
1
trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201720177.0low000010
triclocarban
1
dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic		201720177.0low000010
phenformin
1
biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent		2013201311.0low000010
4-tert-octylphenol
1
alkylbenzene201720177.0low000010
ethamivan
1
methoxybenzenes;
phenols		201720177.0low000010
aminophylline
1
mixturebronchodilator agent;
cardiotonic drug		2013201311.0low000010
galantamine
1
benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite		2013201311.0low000010
methysergide
1
ergoline alkaloid201720177.0low000010
procarbazine hydrochloride
1
hydrochlorideantineoplastic agent2013201311.0low000010
betamethasone
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-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent		2013201311.0low000010
emetine
2
isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor		201320179.0low000020
podophyllotoxin
1
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		201720177.0low000010
dimenhydrinate
1
diarylmethane2013201311.0low000010
1-naphthylisothiocyanate
1
isothiocyanateinsecticide2013201311.0low000010
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		2013201311.0low000010
erythromycin
1
cyclic ketone;
erythromycin		2013201311.0low000010
hydroxychloroquine sulfate
1
2013201311.0low000010
levonorgestrel
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive		2013201311.0low000010
etonitazene
1
201720177.0low000010
ethambutol hydrochloride
1
hydrochlorideantitubercular agent2013201311.0low000010
antimycin a
1
benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide		2013201311.0low000010
pregnenolone carbonitrile
1
aliphatic nitrile2013201311.0low000010
metylperon
1
aromatic ketone2013201311.0low000010
clothiapine
1
dibenzothiazepine201720177.0low000010
benperidol
1
aromatic ketone201720177.0low000010
7-hydroxychlorpromazine
1
phenothiazines201720177.0low000010
stavudine
1
dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		2013201311.0low000010
dicloxacillin
1
dichlorobenzene;
penicillin		antibacterial drug2013201311.0low000010
cladribine
1
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		2013201311.0low000010
metocurine
1
isoquinolines2013201311.0low000010
etidronate disodium
1
organic sodium saltantineoplastic agent;
bone density conservation agent;
chelator		2013201311.0low000010
zalcitabine
1
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
camptothecin
2
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		201320179.0low000020
mafenide acetate
1
carboxylic acid2013201311.0medium000010
diacerein
1
anthraquinone2013201311.0low000010
selegiline hydrochloride, (r)-isomer
1
hydrochloride;
terminal acetylenic compound		antiparkinson drug;
dopaminergic agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor		2013201311.0low000010
thiamphenicol
1
monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent		2013201311.0low000010
pancuronium bromide
1
bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist		2013201311.0medium000010
thenalidine
1
dialkylarylamine;
tertiary amino compound		201720177.0low000010
ornidazole
1
C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope		2013201311.0low000010
danazol
1
17beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector		2013201311.0low000010
fludarabine phosphate
1
nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug		2013201311.0low000010
bromocriptine
1
indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist		201720177.0low000010
benzonidazole
1
C-nitro compound;
imidazoles;
monocarboxylic acid amide		antiprotozoal drug2013201311.0low000010
dexchlorpheniramine
1
chlorphenamine201720177.0low000010
amoxicillin
1
penicillin allergen;
penicillin		antibacterial drug2013201311.0low000010
timolol
1
timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		2013201311.0low000010
indoramin
1
tryptamines2013201311.0low000010
dv 1006
1
201720177.0low000010
oxcarbazepine
1
cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen		2013201311.0low000010
carbidopa
1
catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2013201311.0low000010
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
feprazone
1
organic molecular entity2013201311.0low000010
tobramycin
1
amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin		2013201311.0low000010
paclitaxel
1
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2013201311.0low000010
etoposide
1
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2013201311.0low000010
ribavirin
1
1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		2013201311.0low000010
amikacin
1
alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin		2013201311.0low000010
climbazole
1
aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes		201720177.0low000010
diltiazem
1
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent		2013201311.0low000010
vecuronium bromide
1
organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent;
nicotinic antagonist		2013201311.0low000010
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		201720177.0low000010
nitazoxanide
1
benzamides;
carboxylic ester		2013201311.0low000010
acarbose
1
tetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent		2013201311.0low000010
lorcainide
1
acetamides2013201311.0low000010
captopril
1
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2013201311.0low000010
staurosporine
1
indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector		2013201311.0low000010
foscarnet sodium
1
one-carbon compound;
organic sodium salt		antiviral drug2013201311.0low000010
atracurium besylate
1
organosulfonate salt;
quaternary ammonium salt		muscle relaxant;
nicotinic antagonist		2013201311.0medium000010
nicorandil
1
nitrate ester;
pyridinecarboxamide		potassium channel opener;
vasodilator agent		2013201311.0low000010
pergolide mesylate
1
methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector		2013201311.0low000010
cefadroxil anhydrous
1
cephalosporinantibacterial drug2013201311.0low000010
talniflumate
1
benzofurans2013201311.0low000010
fenoldopam mesylate
1
benzazepine2013201311.0medium000010
amonafide
1
isoquinolines201720177.0low000010
cefaclor anhydrous
1
cephalosporinantibacterial drug;
drug allergen		2013201311.0low000010
pefloxacin
1
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor		2013201311.0low000010
cefotetan
1
2013201311.0low000010
lovastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug		2013201311.0low000010
flupirtine
2
aminopyridine201320179.0low000020
chaetochromin
1
201720177.0low000010
enoximone
2
aromatic ketone201320179.0low000020
stepronin
1
N-acyl-amino acid2013201311.0low000010
simvastatin
1
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug		2013201311.0low000010
idazoxan
1
benzodioxine;
imidazolines		alpha-adrenergic antagonist2013201311.0low000010
remoxipride
1
dimethoxybenzene2013201311.0low000010
cabergoline
1
N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist		2013201311.0low000010
atomoxetine hydrochloride
1
hydrochlorideadrenergic uptake inhibitor;
antidepressant		2013201311.0low000010
quinapril
1
dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		2013201311.0low000010
mifepristone
1
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		2013201311.0low000010
salmeterol xinafoate
1
naphthoic acid2013201311.0low000010
finasteride
1
3-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor		2013201311.0low000010
imiquimod
1
imidazoquinolineantineoplastic agent;
interferon inducer		2013201311.0low000010
sertindole
1
heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole		alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist		2013201311.0low000010
adapalene
1
adamantanes;
monocarboxylic acid;
naphthoic acid		dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug		2013201311.0low000010
aromasil
1
17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic		2013201311.0low000010
sparfloxacin
1
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		2013201311.0low000010
zileuton
1
1-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug		2013201311.0low000010
cidofovir anhydrous
1
phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent		2013201311.0low000010
bromfenac
1
aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2013201311.0low000010
gemcitabine hydrochloride
1
hydrochloride;
organofluorine compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent		2013201311.0low000010
aripiprazole
2
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist		201320179.0low000020
atorvastatin calcium anhydrous
1
organic calcium salt2013201311.0low000010
lamivudine
1
monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug		2013201311.0low000010
duloxetine hydrochloride
1
duloxetine hydrochlorideantidepressant2013201311.0low000010
valsartan
1
biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2013201311.0low000010
zolmitriptan
1
oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent		2013201311.0low000010
adefovir dipivoxil
1
6-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug		2013201311.0low000010
emtricitabine
1
monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
paroxetine hydrochloride
1
hydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor		2013201311.0low000010
bupropion hydrochloride
1
aromatic ketone2013201311.0low000010
trazodone hydrochloride
1
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		2013201311.0low000010
doxazosin mesylate
1
methanesulfonate saltgeroprotector2013201311.0low000010
efavirenz
1
acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
nelfinavir
1
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor		2013201311.0low000010
mevastatin
1
2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite		2013201311.0low000010
bupivacaine hydrochloride
1
hydrochloride;
racemate		adrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic		2013201311.0low000010
plerixafor
1
azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant		2013201311.0low000010
amprenavir
1
carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor		2013201311.0low000010
ticlopidine hydrochloride
1
hydrochloride2013201311.0low000010
epirubicin hydrochloride
1
2013201311.0high000010
indocate
1
201720177.0low000010
pazufloxacin
1
quinolines2013201311.0low000010
repaglinide
1
piperidines2013201311.0low000010
telmisartan
1
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		2013201311.0low000010
N(4)-acetylsulfathiazole
1
1,3-thiazoles;
acetamides;
sulfonamide		marine xenobiotic metabolite201720177.0medium000010
cyclizine hydrochloride
1
201720177.0low000010
2,3-trimethylene-4-quinazolone
1
quinazolines201720177.0low000010
miconazole nitrate
1
2013201311.0low000010
zoledronic acid
1
1,1-bis(phosphonic acid);
imidazoles		bone density conservation agent2013201311.0low000010
artemisinin
1
organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite		2013201311.0low000010
brinzolamide
1
sulfonamide;
thienothiazine		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		2013201311.0low000010
drospirenone
1
3-oxo-Delta(4) steroid;
steroid lactone		aldosterone antagonist;
contraceptive drug;
progestin		2013201311.0low000010
artemether
1
artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid		antimalarial2013201311.0low000010
1,3-dimethyluric acid
1
oxopurinemetabolite201720177.0low000010
uk 68798
1
aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker		2013201311.0low000010
danofloxacin
1
quinolines201720177.0low000010
hp 873
1
1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist		2013201311.0low000010
loxapine succinate
1
succinate saltgeroprotector2013201311.0low000010
voriconazole
1
conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor2013201311.0low000010
betamipron
1
organonitrogen compound;
organooxygen compound		2013201311.0low000010
uroxatral
1
hydrochloride2013201311.0low000010
aceclofenac
1
amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2013201311.0low000010
nitrefazole
1
imidazoles201720177.0low000010
thiocolchicoside
1
glycoside2013201311.0low000010
methotrimeprazine
1
phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist		201720177.0low000010
honokiol
1
biphenyls201720177.0low000010
9-methoxyellipticine
1
201720177.0low000010
3-aminophenoxazone
1
phenoxazine201720177.0low000010
3-deazaneplanocin
1
201720177.0low000010
doripenem
1
carbapenems2013201311.0low000010
tryptanthrine
1
alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		201720177.0low000010
2-chlorodiazepam
1
201720177.0low000010
Polycartine B
1
phenazines201720177.0medium000010
rosiglitazone
1
aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug		2013201311.0low000010
tamiflu
1
phosphate salt2013201311.0low000010
aminoquinuride dihydrochloride
1
201720177.0low000010
bexarotene
1
benzoic acids;
naphthalenes;
retinoid		antineoplastic agent2013201311.0low000010
s20098
1
acetamides2013201311.0low000010
flunisolide
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent		2013201311.0low000010
ketorolac tromethamine
1
organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor		2013201311.0low000010
clarithromycin
1
macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic		2013201311.0low000010
nicotine
1
3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic		2013201311.0low000010
gliquidone
1
isoquinolines2013201311.0low000010
thioproperazine mesylate
1
phenothiazines201720177.0low000010
n(6)-(delta(2)-isopentenyl)adenine
1
6-isopentenylaminopurinecytokinin201720177.0low000010
lopinavir
1
amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor		2013201311.0low000010
4-methyl-N-(phenylmethyl)benzenesulfonamide
1
sulfonamide201720177.0low000010
moxifloxacin hydrochloride
1
hydrochlorideantibacterial drug2013201311.0low000010
fulvestrant
1
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist		2013201311.0low000010
mizoribine
1
imidazolesanticoronaviral agent2013201311.0low000010
sr141716
2
amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist		201320179.0low000020
bosentan anhydrous
1
primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist		2013201311.0low000010
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
1
aromatic ketone201720177.0medium000010
racecadotril
1
N-acyl-amino acid2013201311.0low000010
fingolimod
1
aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist		201720177.0low000010
tesmilifene
1
diarylmethane201720177.0low000010
tadalafil
1
benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		2013201311.0low000010
plavix
1
azaheterocycle sulfate salt;
organoammonium sulfate salt		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor		2013201311.0medium000010
clofarabine
1
adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent		2013201311.0low000010
pramipexole
1
benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger		2013201311.0low000010
valdecoxib
1
isoxazoles;
sulfonamide		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2013201311.0low000010
sr 27897
1
indolyl carboxylic acid201720177.0low000010
mk 0663
1
bipyridines;
organochlorine compound;
sulfone		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2013201311.0low000010
gefitinib
1
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		2013201311.0low000010
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
1
leucine derivative201720177.0low000010
norketamine
1
organochlorine compound201720177.0low000010
desloratadine
1
benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist		2013201311.0low000010
methotrexate
2
dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent		201320179.0low000020
sulbactam
1
penicillanic acids2013201311.0low000010
olmesartan medoxomil
1
biphenyls2013201311.0low000010
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide
1
201720177.0low000010
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide
1
phenylindole201720177.0low000010
abiraterone
1
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor		2013201311.0low000010
l 741626
1
piperidines201720177.0low000010
febuxostat
1
1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor2013201311.0low000010
lexapro
1
2013201311.0low000010
docetaxel anhydrous
1
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent		2013201311.0low000010
levofloxacin
1
9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor		2013201311.0low000010
ezetimibe
1
azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite		2013201311.0low000010
dx 8951
1
pyranoindolizinoquinoline201720177.0low000010
cox 189
1
amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2013201311.0low000010
xamoterol
1
morpholines2013201311.0low000010
naproxen
1
methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2013201311.0low000010
telbivudine
1
pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		2013201311.0low000010
tipifarnib
1
imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		201720177.0low000010
cyc 202
1
2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		201720177.0low000010
avasimibe
1
monoterpenoid201720177.0low000010
atropine
1
2013201311.0low000010
l 163191
1
201720177.0low000010
dizocilpine
1
secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		201720177.0low000010
s-benzylcysteine
1
S-aryl-L-cysteine zwitterion201720177.0medium000010
chelidonine
1
alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid		201720177.0low000010
ramelteon
1
indanes2013201311.0low000010
lapatinib
1
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		201720177.0low000010
deferasirox
1
benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator2013201311.0low000010
bms204352
1
2013201311.0low000010
tbc-11251
1
benzodioxoles2013201311.0low000010
tolvaptan
1
benzazepine;
benzenedicarboxamide		aquaretic;
vasopressin receptor antagonist		2013201311.0low000010
lenalidomide
1
aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator		2013201311.0low000010
roxindole
1
indolesalpha-adrenergic antagonist;
serotonergic drug		201720177.0low000010
lacosamide
1
N-acyl-amino acid2013201311.0low000010
conidendrin
1
201720177.0medium000010
vincaleukoblastine
1
acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite		2013201311.0low000010
Porfiromycine
1
mitomycin201720177.0medium000010
vincristine sulfate
1
organic sulfate saltantineoplastic agent;
geroprotector		2013201311.0low000010
nsc 95397
1
1,4-naphthoquinones201720177.0low000010
4-methyl-2-quinazolinamine
1
201720177.0medium000010
2-glycineamide-5-chlorophenyl-2-pyrryl ketone
1
201720177.0medium000010
wortmannin
1
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		2013201311.0low000010
2,5-bis(5-hydroxymethyl-2-thienyl)furan
1
thiophenes201720177.0low000010
bortezomib
1
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		2013201311.0low000010
ritonavir
2
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic		201320179.0low000020
Destruxin B
1
cyclodepsipeptide201720177.0low000010
tosylphenylalanyl chloromethyl ketone
1
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		201720177.0low000010
pentostatin
1
coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor		2013201311.0low000010
quinidine
1
cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker		2013201311.0low000010
meropenem
1
alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen		2013201311.0low000010
digitoxin
1
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor2013201311.0low000010
saquinavir
1
L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor		2013201311.0low000010
perindopril erbumine
1
addition compoundantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2013201311.0medium000010
miglitol
1
piperidines2013201311.0low000010
rocuronium bromide
1
organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent		2013201311.0high000010
linezolid
1
acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor		2013201311.0low000010
pemirolast potassium salt
1
2013201311.0medium000010
eplerenone
1
3-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester		aldosterone antagonist;
antihypertensive agent		2013201311.0low000010
ao 128
1
organic molecular entity2013201311.0low000010
loteprednol etabonate
1
11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
etabonate ester;
organochlorine compound;
steroid acid ester;
steroid ester		anti-inflammatory drug2013201311.0low000010
fluticasone propionate
1
11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester		adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug		2013201311.0low000010
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		2013201311.0low000010
tacrolimus
1
macrolide lactambacterial metabolite;
immunosuppressive agent		2013201311.0low000010
mupirocin
1
alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor		2013201311.0low000010
zithromax
1
macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic		2013201311.0low000010
decitabine
1
2'-deoxyribonucleoside2013201311.0low000010
teniposide
1
aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		2013201311.0low000010
valrubicin
1
anthracycline;
trifluoroacetamide		2013201311.0low000010
melphalan
1
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2013201311.0low000010
posaconazole
1
aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug2013201311.0low000010
rubitecan
1
C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		2013201311.0low000010
2'-c-methylcytidine
1
201720177.0low000010
jp-1302
1
201720177.0low000010
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
1
benzodiazepine201720177.0medium000010
tenatoprazole
1
imidazopyridine201720177.0low000010
arginine vasopressin
1
vasopressincardiovascular drug;
hematologic agent;
mitogen		2013201311.0low000010
s 1033
1
(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		201720177.0low000010
5-[(2-fluoroanilino)methyl]-8-quinolinol
1
hydroxyquinoline201720177.0low000010
trilostane
1
17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile		abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor		2013201311.0low000010
benidipine hydrochloride
1
201720177.0low000010
leuprolide acetate
1
acetate saltantineoplastic agent;
gonadotropin releasing hormone agonist		2013201311.0medium000010
propylthiouracil
1
pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist		2013201311.0low000010
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
1
quinazolines201720177.0high000010
chlorprothixene
1
chlorprothixene201720177.0low000010
mercaptopurine
1
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		2013201311.0low000010
jrf 12
1
201720177.0low000010
levosulpiride
1
sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		2013201311.0low000010
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
1
methoxybenzenes;
substituted aniline		201720177.0low000010
3-hydroxypyridine, sodium salt
1
201720177.0medium000010
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide
1
naphthalenecarboxamide201720177.0low000010
5-[(2-bromoanilino)methyl]-8-quinolinol
1
hydroxyquinoline201720177.0high000010
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
1
201720177.0low000010
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
1
aromatic amine201720177.0medium000010
eszopiclone
1
zopiclonecentral nervous system depressant;
sedative		2013201311.0low000010
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide
1
piperidinecarboxamide201720177.0medium000010
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol
1
hydroxyquinoline201720177.0high000010
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
1
acetamides;
anilide		201720177.0low000010
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
1
aromatic amide;
thiophenes		201720177.0medium000010
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone
1
dimethoxybenzene201720177.0medium000010
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide
1
aromatic amide201720177.0low000010
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
1
aromatic ether201720177.0medium000010
methimazole
1
1,3-dihydroimidazole-2-thionesantithyroid drug2013201311.0low000010
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione
1
maleimides201720177.0medium000010
Src Inhibitor-1
1
aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor201720177.0low000010
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
1
dimethoxybenzene201720177.0medium000010
cinnarizine
1
diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist		2013201311.0low000010
sulindac
1
monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent		2013201311.0low000010
epalrestat
1
monocarboxylic acid;
thiazolidines		EC 1.1.1.21 (aldehyde reductase) inhibitor2013201311.0low000010
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide
1
quinolines201720177.0low000010
drotaverin
1
isoquinolines2013201311.0low000010
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
1
pyrroles201720177.0low000010
tamoxifen
1
stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator		2013201311.0low000010
bi-78d3
1
aryl sulfide201720177.0low000010
kartogenin
1
201720177.0low000010
fusidic acid
1
11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester		EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor		2013201311.0low000010
valinomycin
1
cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore		2013201311.0low000010
hmr 3647
1
2013201311.0low000010
latoconazole
1
conazole antifungal drug;
imidazole antifungal drug		2013201311.0low000010
maraviroc
1
tropane alkaloid2013201311.0low000010
toremifene citrate
1
stilbenoidanticoronaviral agent2013201311.0medium000010
nelarabine
1
beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug		2013201311.0low000010
gestodene
1
steroidestrogen2013201311.0low000010
orlistat
1
beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor		2013201311.0low000010
quinine
1
cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic		2013201311.0low000010
vx-745
1
aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		201720177.0low000010
azilect
1
2013201311.0low000010
dasatinib
2
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		201320179.0low000020
zd 6474
1
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		201720177.0low000010
nih-12848
1
201720177.0medium000010
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide
1
quinazolines201720177.0medium000010
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
1
benzimidazoles201720177.0low000010
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile
1
imidazopyridine201720177.0medium000010
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
1
aromatic ketone201720177.0medium000010
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester
1
oxopurine201720177.0medium000010
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester
1
organonitrogen compound;
organosulfur compound		201720177.0medium000010
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide
1
quinolines201720177.0medium000010
LSM-1924
1
organic heterotricyclic compound;
organooxygen compound		201720177.0medium000010
ferrostatin-1
1
ethyl ester;
primary arylamine;
substituted aniline		antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger		201720177.0low000010
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine
1
C-nitro compound201720177.0medium000010
sitagliptin
1
triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic		2013201311.0low000010
tolcapone
1
2-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor		2013201311.0low000010
ncgc00099374
1
201720177.0medium000010
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
1
benzamides201720177.0medium000010
quercetin
1
7-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger		2013201311.0low000010
luteolin
1
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		201720177.0low000010
calcitriol
1
D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical		2013201311.0low000010
alprostadil
1
prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent		2013201311.0low000010
vitamin d 2
1
hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide		2013201311.0low000010
kaempferol
1
7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite		201720177.0low000010
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		201720177.0low000010
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		2013201311.0low000010
oxymetholone
1
2013201311.0low000010
eprosartan
1
dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2013201311.0low000010
brompheniramine maleate
1
maleate saltanti-allergic agent2013201311.0low000010
dexchlorpheniramine maleate
1
organic molecular entity2013201311.0medium000010
mycophenolate mofetil
2
carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug		201320179.0low000020
entacapone
1
2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor		2013201311.0low000010
bruceantin
1
triterpenoid201720177.0low000010
chrysin
1
7-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite		201720177.0low000010
daidzein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		201720177.0low000010
l 660,711
1
quinolines2013201311.0low000010
travoprost
1
(trifluoromethyl)benzenes;
isopropyl ester;
prostaglandins Falpha		antiglaucoma drug;
antihypertensive agent;
ophthalmology drug;
prodrug;
prostaglandin receptor agonist		2013201311.0low000010
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		2013201311.0low000010
imipenem
1
carbapenems2013201311.0medium000010
etretinate
1
enoate ester;
ethyl ester;
retinoid		keratolytic drug2013201311.0low000010
isotretinoin
1
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		2013201311.0low000010
ketotifen fumarate
1
organoammonium saltanti-asthmatic drug;
H1-receptor antagonist		2013201311.0low000010
dinoprost tromethamine
1
organic molecular entity2013201311.0low000010
neticonazole
1
aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor		201720177.0low000010
rosuvastatin calcium
1
N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine;
organic calcium salt		anti-inflammatory agent;
cardioprotective agent;
CETP inhibitor		2013201311.0medium000010
terbinafine hydrochloride
1
allylamine antifungal drug;
hydrochloride		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor		2013201311.0medium000010
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine
1
endocannabinoid;
N-acylethanolamine 22:6		201720177.0low000010
n-oleoylethanolamine
1
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist		201720177.0low000010
cyclosporine
1
homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite		2013201311.0low000010
natamycin
1
antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug		2013201311.0low000010
acitretin
1
acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug2013201311.0low000010
levetiracetam
1
pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic		2013201311.0low000010
nalmefene
1
morphinane alkaloid2013201311.0low000010
naloxone
1
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2013201311.0low000010
topiramate
1
cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker		2013201311.0low000010
alpha-zearalenol
1
macrolide201720177.0medium000010
demycarosylturimycin h
1
2013201311.0low000010
su 9516
1
201720177.0low000010
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
1
triazolopyrimidines201720177.0low000010
acipimox
1
pyrazinecarboxylic acid2013201311.0low000010
atosiban
1
oligopeptide2013201311.0low000010
bimatoprost
1
monocarboxylic acid amideantiglaucoma drug;
antihypertensive agent		2013201311.0low000010
sb 277011
1
201720177.0low000010
latanoprost
1
isopropyl ester;
prostaglandins Falpha;
triol		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug		2013201311.0low000010
nateglinide
1
phenylalanine derivative2013201311.0low000010
sb 223412
1
201720177.0low000010
sr 59230a
1
tetralins201720177.0medium000010
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide
1
pyrimidines201720177.0low000010
kn 62
1
piperazines201720177.0low000010
MeJA
1
Jasmonate derivatives201720177.0medium000010
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-
1
201720177.0medium000010
pd 161570
1
201720177.0low000010
su 11248
1
monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist		201720177.0low000010
palbociclib
1
aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		201720177.0low000010
jnj-7706621
1
sulfonamide201720177.0low000010
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
1
dihydroxy monocarboxylic acid;
indoles;
organofluorine compound		2013201311.0low000010
molsidomine
1
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		2013201311.0low000010
butorphanol
1
morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic		2013201311.0low000010
cefixime
1
cephalosporinantibacterial drug;
drug allergen		2013201311.0low000010
lisinopril
1
dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2013201311.0low000010
ramipril
1
azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug		2013201311.0low000010
indinavir sulfate
1
dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor2013201311.0low000010
virginiamycin factor s1
1
cyclodepsipeptide;
macrolide antibiotic		antibacterial drug;
bacterial metabolite		201720177.0low000010
enalapril maleate
1
maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		2013201311.0low000010
enalaprilat anhydrous
1
dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2013201311.0low000010
trandolapril
1
dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug		2013201311.0low000010
pregabalin
1
gamma-amino acidanticonvulsant;
calcium channel blocker		2013201311.0low000010
alvimopan anhydrous
1
peptide2013201311.0low000010
famotidine
1
1,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2013201311.0low000010
xib 4035
1
201720177.0low000010
cci 15641
1
cephalosporin2013201311.0medium000010
tenofovir disoproxil fumarate
1
fumarate saltantiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug		2013201311.0low000010
dexbrompheniramine maleate
1
brompheniramine maleateanti-allergic agent;
H1-receptor antagonist		2013201311.0low000010
rifaximin
1
acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative		antimicrobial agent;
gastrointestinal drug;
orphan drug		2013201311.0low000010
everolimus
1
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		2013201311.0low000010
belotecan
1
pyranoindolizinoquinoline201720177.0low000010
cefpodoxime proxetil
1
carboxylic acid;
carboxylic ester;
cephalosporin		antibacterial drug;
prodrug		2013201311.0low000010
norgestimate
1
ketoxime;
steroid ester;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive		201720177.0low000010
fluphenazine
1
2013201311.0medium000010
b 43
1
aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		201720177.0low000010
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine
1
201720177.0low000010
nitrofurantoin
1
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent		2013201311.0low000010
methiazole
1
benzimidazoles;
carbamate ester		201720177.0low000010
sb 218795
1
quinolines201720177.0low000010
bvt.948
1
201720177.0medium000010
roxithromycin
1
roxithromycinenvironmental contaminant;
xenobiotic		2013201311.0low000010
cefdinir
1
cephalosporin;
ketoxime		antibacterial drug2013201311.0low000010
a 38503
1
201720177.0low000010
bisoprolol, fumarate (1:1) salt
1
2013201311.0medium000010
artesunate
1
artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer		2013201311.0low000010
etoposide phosphate
1
furonaphthodioxole2013201311.0low000010
ciclesonide
1
organic molecular entity2013201311.0low000010
temsirolimus
1
macrolide lactam2013201311.0low000010
dutasteride
1
(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam		antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor		2013201311.0low000010
tekturna
1
fumarate saltantihypertensive agent2013201311.0high000010
vildagliptin
1
amino acid amide2013201311.0low000010
parthenolide
1
sesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		201720177.0low000010
krn 633
1
201720177.0low000010
sgd 301-76
1
conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt		antiinfective agent2013201311.0low000010
fluvoxamine maleate
1
(trifluoromethyl)benzenes2013201311.0low000010
thioacetazone
1
2013201311.0low000010
dexlansoprazole
1
benzimidazoles;
sulfoxide		2013201311.0low000010
gemifloxacin mesylate
1
methanesulfonate saltantimicrobial agent;
topoisomerase IV inhibitor		2013201311.0low000010
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid
1
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		201720177.0medium000010
gw 501516
1
1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist		201720177.0low000010
dolastatin 10
1
1,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent		201720177.0low000010
spc-839
1
201720177.0low000010
midostaurin
1
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		201720177.0low000010
nu 7026
1
organic heterotricyclic compound;
organooxygen compound		201720177.0low000010
osi 930
1
aromatic amide201720177.0low000010
ticagrelor
1
aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor		201720177.0low000010
l 692585
1
peptide201720177.0medium000010
rivaroxaban
1
aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor		2013201311.0low000010
pi103
1
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		201720177.0low000010
nnc 26-9100
1
aminopyridine201720177.0low000010
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine
1
201720177.0low000010
tivozanib
1
aromatic ether201720177.0low000010
hki 272
1
nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
tofacitinib
1
N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		2013201311.0low000010
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
1
201720177.0low000010
tae226
1
morpholines201720177.0low000010
gw0742
1
monocarboxylic acid201720177.0low000010
u 18666a
1
hydrochlorideantiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor		201720177.0low000010
sb 525334
1
quinoxaline derivative201720177.0low000010
bx795
1
ureas201720177.0low000010
pazopanib
1
aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist		2013201311.0low000010
azd 6244
1
benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		201720177.0low000010
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
1
201720177.0low000010
bay 61-3606
1
pyrimidines201720177.0low000010
sd-208
1
201720177.0low000010
crenolanib
1
aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		201720177.0low000010
cj 033466
1
201720177.0medium000010
cc 401
1
pyrazoles;
ring assembly		201720177.0low000010
PB28
1
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		201720177.0low000010
arterolane
1
201720177.0low000010
amg 009
1
2013201311.0low000010
cefotaxime sodium
1
organic sodium salt2013201311.0low000010
cariprazine
1
201720177.0low000010
krp-203
1
201720177.0low000010
regorafenib
1
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		201720177.0low000010
at 7867
1
monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		201720177.0low000010
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester
1
pyrroloquinoline201720177.0low000010
ptc 124
1
oxadiazole;
ring assembly		201720177.0low000010
bi 2536
1
201720177.0low000010
azd 1152
1
anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug		201720177.0low000010
carfilzomib
1
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		201720177.0low000010
idelalisib
1
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		201720177.0low000010
motesanib
1
pyridinecarboxamide201720177.0low000010
pf-562,271
1
indoles201720177.0low000010
gliocladin c
1
201720177.0low000010
losartan potassium
1
2013201311.0low000010
sb 706504
1
201720177.0medium000010
ku-0060648
1
dibenzothiophenes201720177.0low000010
dactolisib
1
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		2013201311.0low000010
bgt226
1
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		201720177.0low000010
n-desmethyldanofloxacin
1
201720177.0medium000010
CDN1163
1
aromatic ether;
quinolines;
secondary carboxamide		SERCA activator201720177.0low000010
gsk 269962a
1
201720177.0low000010
bivalirudin
1
polypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor		2013201311.0low000010
somatostatin
1
heterodetic cyclic peptide;
peptide hormone		2013201311.0low000010
ly-146032
1
heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide		antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics		2013201311.0low000010
warfarin sodium
1
2013201311.0medium000010
pha 848125
1
201720177.0low000010
nvp-bhg712
1
benzamides201720177.0low000010
pravastatin sodium
1
organic sodium salt;
statin (semi-synthetic)		anticholesteremic drug2013201311.0low000010
alendronate sodium
1
2013201311.0medium000010
pf 04217903
1
quinolines201720177.0low000010
sl 80.0750
1
2013201311.0high000010
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
1
aromatic ketone201720177.0medium000010
ph 797804
1
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		201720177.0low000010
mesna
1
organosulfonic acid2013201311.0low000010
clavulanate potassium
1
potassium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor		2013201311.0medium000010
piperacillin sodium
1
organic sodium salt2013201311.0low000010
oxacillin sodium
1
organic sodium salt2013201311.0low000010
cefazolin sodium
1
organic sodium salt2013201311.0low000010
azlocillin sodium
1
organic sodium salt2013201311.0high000010
srt1720
1
201720177.0low000010
purfalcamine
1
201720177.0low000010
bms 754807
1
pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		201720177.0low000010
ponatinib
1
(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor		201720177.0low000010
quizartinib
1
benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor		201720177.0low000010
PP121
1
aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor		201720177.0low000010
navitoclax
1
aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		201720177.0low000010
gsk 650394
1
phenylpyridine201720177.0low000010
dcc-2036
1
organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines		tyrosine kinase inhibitor201720177.0low000010
cabozantinib
1
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		201720177.0low000010
TAK-580
1
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor		201720177.0low000010
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
1
chromones201720177.0medium000010
pf 3758309
1
organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		201720177.0low000010
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
1
aryl sulfide;
thienopyrimidine		201720177.0medium000010
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
1
aryl sulfide;
thienopyrimidine		201720177.0low000010
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
1
aryl sulfide;
thienopyrimidine		201720177.0medium000010
baricitinib
1
azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent		201720177.0low000010
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine
1
quinazolines201720177.0high000010
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
1
organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		201720177.0low000010
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
1
hydroxyquinoline201720177.0medium000010
p505-15
1
201720177.0low000010
mrt67307
1
aromatic amine201720177.0low000010
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide
1
piperazines201720177.0low000010
ribociclib
1
201720177.0low000010
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
1
aromatic ketone;
thienopyrimidine		201720177.0medium000010
pha 793887
1
piperidinecarboxamide201720177.0low000010
ml228 probe
1
1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound		hypoxia-inducible factor pathway activator201720177.0medium000010
pf-03882845
1
201720177.0medium000010
jq1 compound
1
carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer		201720177.0low000010
pf-04620110
1
201720177.0low000010
gsk525762a
1
benzodiazepine201720177.0low000010
torin 1
1
N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor		201720177.0low000010
abt-199
1
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		201720177.0low000010
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
1
ureas201720177.0low000010
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide
1
(trifluoromethyl)benzenes201720177.0high000010
ncgc00242364
1
quinazolines201720177.0high000010
gsk1210151a
1
imidazoquinoline201720177.0low000010
hs-173
1
201720177.0medium000010
sr1664
1
indolecarboxamide201720177.0low000010
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide
1
201720177.0medium000010
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
1
benzamides;
N-acylpiperidine		201720177.0medium000010
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
1
aminoquinoline201720177.0medium000010
cudc-907
1
201720177.0low000010
tetracycline
1
2013201311.0low000010
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		2013201311.0low000010
roquinimex
1
aromatic amide2013201311.0low000010
mobic
1
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2013201311.0low000010
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		2013201311.0low000010
isoxicam
1
benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug		2013201311.0low000010
methacycline monohydrochloride
1
201720177.0low000010
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid
1
quinolines201720177.0low000010
minocycline hydrochloride
1
2013201311.0low000010
tigecycline
1
2013201311.0low000010
lornoxicam
1
heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2013201311.0low000010
agi-5198
1
201720177.0low000010
cep-32496
1
201720177.0low000010
epz004777
1
N-glycosyl compound201720177.0low000010
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid
1
organonitrogen heterocyclic compound201720177.0low000010
entecavir
1
benzamides;
N-acylpiperidine		201720177.0low000010
gkt137831
1
201720177.0low000010
vx-509
1
201720177.0low000010
vx-970
1
sulfonamide201720177.0low000010
gs-9973
1
201720177.0low000010
amg 925
1
201720177.0medium000010
gne-618
1
201720177.0medium000010
g007-lk
1
201720177.0low000010
volitinib
1
201720177.0medium000010
ML355
1
benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor		201720177.0low000010
acp-196
1
aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		201720177.0low000010
gsk343
1
aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor		201720177.0low000010
agi-6780
1
201720177.0low000010
khs101
1
201720177.0low000010
cb-839
1
201720177.0low000010
gsk-j4
1
organonitrogen heterocyclic compound201720177.0low000010
pf-06424439
1
201720177.0low000010
etp-46464
1
201720177.0low000010
onc201
1
201720177.0low000010
kai407
1
201720177.0medium000010
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine
1
201720177.0medium000010
enasidenib
1
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		201720177.0low000010
oicr-9429
1
201720177.0low000010
lly-507
1
201720177.0low000010
at 9283
1
201720177.0low000010
entecavir
1
2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		2013201311.0low000010
acyclovir
1
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		2013201311.0low000010
hypoxanthine
1
nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite201720177.0low000010
rifampin
1
cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor		2013201311.0low000010
clozapine
2
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		201320179.0low000020
dacarbazine
1
dacarbazine2013201311.0low000010
didanosine
1
purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
ganciclovir
1
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		2013201311.0low000010
valtrex
1
organic molecular entity2013201311.0low000010
olanzapine
1
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor		2013201311.0low000010
raltitrexed
1
N-acyl-amino acid2013201311.0low000010
allopurinol
1
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		2013201311.0low000010
citrovorum factor
1
tetrahydrofolic acid2013201311.0medium000010
rifapentine
1
N-alkylpiperazine;
N-iminopiperazine;
rifamycins		antitubercular agent;
leprostatic drug		2013201311.0low000010
1-hydroxyphenazine
1
phenazines201720177.0low000010
sildenafil citrate
1
citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		2013201311.0low000010
aprepitant
1
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist		2013201311.0low000010
tegaserod maleate
1
maleate saltserotonergic agonist2013201311.0medium000010
rifabutin
1
2013201311.0low000010
ro 24-7429
1
benzodiazepine201720177.0low000010
nintedanib
1
201720177.0low000010
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide
1
catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor201720177.0medium000010
ver 52296
1
aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor		201720177.0low000010
rvx 208
1
201720177.0low000010
bmn 673
1
201720177.0low000010
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Acute Liver Injury, Drug-Induced0
1
2013201311.0low000010
Adverse Drug Event0
1
2013201311.0low000010
Chemical and Drug Induced Liver Injury0
1
2013201311.0low000010
Congenital Zika Syndrome0
1
202020204.0low000010
Disease Models, Animal0
1
202020204.0low000010
Drug-Related Side Effects and Adverse Reactions0
1
2013201311.0low000010
Inflammation0
1
2010201014.0low000100
Innate Inflammatory Response0
1
2010201014.0low000100
Malaria, Falciparum0
1
2014201410.0low000010
Plasmodium falciparum Malaria0
1
2014201410.0low000010
Zika Virus Infection0
1
202020204.0low000010

Bioavailability (3)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
The Journal of biological chemistry, , 11-15, Volume: 294, Issue:46		2019
Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, , 02-01, Volume: 25, Issue:3		2017