Compounds > gallopamil hydrochloride
Page last updated: 2024-09-25

gallopamil hydrochloride

Cross-References

ID SourceID
PubMed CID119442
CHEMBL ID1256940
SCHEMBL ID194931
MeSH IDM0482974

Synonyms (70)

Synonym
56949-75-8
smr000058477
lu-30029
procorum
EU-0100778
(+/-)-methoxyverapamil hydrochloride, >=98%
einecs 240-704-7
benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4,5-trimethoxy-alpha-(1-methylethyl)-, monohydrochloride
(3-cyano-3-(3,4,5-trimethoxyphenyl)hex-6-yl)-(5,6-dimethoxyphenethyl)methylammonium chloride
nsc 274966
16662-46-7
gallopamil hydrochloride
nsc-274966
nsc274966
D01969
gallopamil hydrochloride (jan)
MLS000069359 ,
(?)-methoxyverapamil hydrochloride
NCGC00094115-01
M 5644
d600; gallopamil
( inverted question mark)-methoxyverapamil hydrochloride
CHEMBL1256940
(+/-)-methoxyverapamil hcl
dtxcid6027844
tox21_110196
cas-16662-46-7
dtxsid2047858 ,
gallopamil hcl
d 600 hydrochloride
unii-vt4vr32a0t
vt4vr32a0t ,
AKOS015994622
(+/-)-methoxyverapamil hydrochloride
LP00778
(+/-)-alpha-[3-[(2-(3,4-dimethoxyphenyl)ethyl)methylamino]propyl]-3,4,5-trimethoxy-alpha-(1-methylethyl)benzeneacetonitrile hydrochloride
5-(3,4-dimethoxyphenethyl) methylamino-2-isopropyl-2-(3,4,5-trimethoxyphenyl)-valeronitrile hydrochloride
.alpha.-isopropyl-.alpha.-((n-methyl-n-homoveratryl)-.gamma.-aminopropyl)-3,4,5-trimethoxyphenylacetonitrile hydrochloride
.alpha.-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4,5-trimethoxy-.alpha.-(1-methylethyl)benzeneacetonitrile hydrochloride
gallopamil hydrochloride [mi]
gallopamil hydrochloride [jan]
gallopamil hydrochloride [who-dd]
d-600 hydrochloride
gallopamil hydrochloride [mart.]
CCG-222082
SCHEMBL194931
NCGC00015686-11
tox21_110196_1
HS-0066
(y)-methoxyverapamil hydrochloride
tox21_500778
NCGC00261463-01
5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride
OPERA_ID_1611
mfcd00058000
[3-cyano-3-(3,4,5-trimethoxyphenyl)hex-6-yl]-(5,6-dimethoxyphenethyl)methylammonium chloride
SR-01000000018-2
sr-01000000018
5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hcl
J-010303
FT-0727258
FT-0772263
gallopamil (hydrochloride)
CS-0109891
HY-14276A
Q27095539
methoxyverapamil (hydrochloride)
I11594
5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;hydrochloride
5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;hydron;chloride

Protein Targets (22)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency35.48130.044717.8581100.0000AID485341
glp-1 receptor, partialHomo sapiens (human)Potency11.22020.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency18.18880.000811.382244.6684AID686978; AID686979
GLI family zinc finger 3Homo sapiens (human)Potency10.41550.000714.592883.7951AID1259369; AID1259392
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency29.84930.001022.650876.6163AID1224893
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency0.48970.01237.983543.2770AID1645841
pregnane X nuclear receptorHomo sapiens (human)Potency4.73080.005428.02631,258.9301AID1346982
peroxisome proliferator activated receptor gammaHomo sapiens (human)Potency9.52050.001019.414170.9645AID743094
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency19.91530.035520.977089.1251AID504332
thyroid stimulating hormone receptorHomo sapiens (human)Potency1.89590.001628.015177.1139AID1224843; AID1224895
beta-2 adrenergic receptorHomo sapiens (human)Potency25.11890.00586.026332.6427AID492947
peripheral myelin protein 22 isoform 1Homo sapiens (human)Potency84.921423.934123.934123.9341AID1967
chromobox protein homolog 1Homo sapiens (human)Potency12.58930.006026.168889.1251AID540317
potassium voltage-gated channel subfamily H member 2 isoform dHomo sapiens (human)Potency1.99530.01789.637444.6684AID588834
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency33.49150.000323.4451159.6830AID743065; AID743067
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency26.67950.168316.404067.0158AID720504
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency4.46680.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency4.46680.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency4.46680.15855.287912.5893AID540303
gemininHomo sapiens (human)Potency3.28560.004611.374133.4983AID624296; AID624297
neuropeptide S receptor isoform AHomo sapiens (human)Potency19.95260.015812.3113615.5000AID1461
Spike glycoproteinSevere acute respiratory syndrome-related coronavirusPotency28.18380.009610.525035.4813AID1479145
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
virion membraneSpike glycoproteinSevere acute respiratory syndrome-related coronavirus
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (70)

Assay IDTitleYearJournalArticle
AID1347059CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation2019PloS one, , Volume: 14, Issue:7
Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347405qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347151Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347057CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation2019PloS one, , Volume: 14, Issue:7
Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347058CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation2019PloS one, , Volume: 14, Issue:7
Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347410qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library2019Cellular signalling, 08, Volume: 60A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID524790Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID521220Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay2007Nature chemical biology, May, Volume: 3, Issue:5
Chemical genetics reveals a complex functional ground state of neural stem cells.
AID524793Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524796Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524791Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524792Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524795Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524794Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
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 13Microsphere-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
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
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-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
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
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
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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 13Microsphere-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
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
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
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
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
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
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).
AID1224864HCS microscopy assay (F508del-CFTR)2016PloS one, , Volume: 11, Issue:10
Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (20)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's3 (15.00)29.6817
2010's10 (50.00)24.3611
2020's7 (35.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other20 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
gamma-aminobutyric acid[no description available]medium20amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
acetamide[no description available]medium10acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia
quinacrine[no description available]medium10acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
catechol[no description available]medium20catecholsallelochemical;
genotoxin;
plant metabolite
taxifolin[no description available]medium203'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone
phosphonoacetic acid[no description available]medium30monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid[no description available]medium20catechols;
dihydroxyphenylacetic acid		human metabolite
aminocaproic acid[no description available]medium10amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
diacetyl[no description available]medium10alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite
hydroquinone[no description available]medium20benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
melatonin[no description available]medium10acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
n-acetylserotonin[no description available]medium10acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist
pyrazinamide[no description available]medium20monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
quinolinic acid[no description available]medium10pyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist
taurine[no description available]medium10amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate[no description available]medium10non-proteinogenic alpha-amino acidNMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine[no description available]medium10
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid[no description available]medium10
1-hydroxy-3-amino-2-pyrrolidone[no description available]medium10
ibotenic acid[no description available]medium10non-proteinogenic alpha-amino acidneurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane[no description available]medium10
sk&f-38393[no description available]medium20benzazepine;
catechols;
secondary amino compound
vanilmandelic acid[no description available]medium102-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite
1,10-diaminodecane[no description available]medium20
1,3-diethyl-8-phenylxanthine[no description available]medium10
1,3-dipropyl-8-cyclopentylxanthine[no description available]medium30oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine[no description available]medium10
1,5-dihydroxyisoquinoline[no description available]medium10isoquinolinolEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195[no description available]medium20aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole[no description available]medium10imidazoles
1-aminobenzotriazole[no description available]medium20
1-methylimidazole[no description available]medium10imidazoles
edelfosine[no description available]medium10glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one[no description available]medium20oxadiazoloquinoxalineEC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl[no description available]medium30bipyridinechelator;
ferroptosis inhibitor
2-hydroxysaclofen[no description available]medium10organochlorine compound
3,4-dichloroisocoumarin[no description available]medium20isocoumarins;
organochlorine compound		geroprotector;
serine protease inhibitor
phaclofen[no description available]medium10organophosphate oxoanion;
zwitterion
3-aminobenzamide[no description available]medium10benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole[no description available]medium10
enprofylline[no description available]medium10oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
3-nitropropionic acid[no description available]medium10C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin
4-amino-1,8-naphthalimide[no description available]medium20benzoisoquinoline;
dicarboximide
4-aminopyridine[no description available]medium20aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker
homovanillic acid[no description available]medium20guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
4-hydroxybenzoic acid hydrazide[no description available]medium10carbohydrazide;
phenols
4-phenyl-3-furoxancarbonitrile[no description available]medium201,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile		geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide[no description available]medium101-pyrroline nitronesneuroprotective agent;
spin trapping reagent
phenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
5,7-dichlorokynurenic acid[no description available]medium10quinolines
5-(n,n-hexamethylene)amiloride[no description available]medium20aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines		antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker
ethylisopropylamiloride[no description available]medium20aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker
5-fluoroindole-2-carboxylic acid[no description available]medium30indolyl carboxylic acid
hydroxyindoleacetic acid[no description available]medium10indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
phenanthridone[no description available]medium20lactam;
phenanthridines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen
6-chloromelatonin[no description available]medium10acetamides
6-hydroxymelatonin[no description available]medium10acetamides;
tryptamines		metabolite;
mouse metabolite
6-methoxytryptoline[no description available]medium10
6-nitroso-1,2-benzopyrone[no description available]medium20
7-chlorokynurenic acid[no description available]medium10organochlorine compound;
quinolinemonocarboxylic acid		neuroprotective agent;
NMDA receptor antagonist
7-nitroindazole[no description available]medium20
8-(4-sulfophenyl)theophylline[no description available]medium20
8-cyclopentyl-1,3-dimethylxanthine[no description available]medium10oxopurine
8-phenyltheophylline[no description available]medium10
acetazolamide[no description available]medium20monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide[no description available]medium10acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
ag 127[no description available]medium20nitrophenol
rtki cpd[no description available]medium20aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
tyrphostin a23[no description available]medium20catechols
tyrphostin 25[no description available]medium20benzenetriol
tyrphostin a1[no description available]medium10methoxybenzenesgeroprotector
1-aminoindan-1,5-dicarboxylic acid[no description available]medium10
albuterol[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alpha-methyltyrosine methyl ester[no description available]medium10
altretamine[no description available]medium20triamino-1,3,5-triazine
amfonelic acid[no description available]medium10
amifostine anhydrous[no description available]medium10diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent
theophylline[no description available]medium20dimethylxanthineadenosine 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
amoxapine[no description available]medium30dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
aniracetam[no description available]medium20N-acylpyrrolidine;
pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid[no description available]medium10
aspirin[no description available]medium10benzoic 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
atenolol[no description available]medium20ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate[no description available]medium10alpha-amino acid
aurintricarboxylic acid[no description available]medium20monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid		fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist
azathioprine[no description available]medium20aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azelaic acid[no description available]medium20alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
bay-k-8644[no description available]medium30(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
benzamide[no description available]medium10benzamides
bepridil[no description available]medium10pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
bml 190[no description available]medium20N-acylindole
brimonidine[no description available]medium30imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
bumetanide[no description available]medium20amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine[no description available]medium10purine 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
carbamazepine[no description available]medium20dibenzoazepine;
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
carbetapentane[no description available]medium10benzenes
carisoprodol[no description available]medium20carbamate estermuscle relaxant
carmustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
cgs 12066[no description available]medium10N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline		serotonergic agonist
cgs 15943[no description available]medium20aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline		adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant
chlorambucil[no description available]medium30aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlormezanone[no description available]medium101,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
chlorpropamide[no description available]medium20monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorzoxazone[no description available]medium201,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
cilostamide[no description available]medium20quinolines
cilostazol[no description available]medium30lactam;
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
cimetidine[no description available]medium30aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cinoxacin[no description available]medium30cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
clofibrate[no description available]medium10aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clotrimazole[no description available]medium20conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
cx546[no description available]medium10
cyclothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
dephostatin[no description available]medium10
nonivamide[no description available]medium10capsaicinoid;
phenols		lachrymator
r 59022[no description available]medium10diarylmethane
diazoxide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
pentetic acid[no description available]medium10pentacarboxylic acidcopper chelator
diphenyleneiodonium[no description available]medium10organic cation
dipyridamole[no description available]medium30piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disopyramide[no description available]medium10monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium30organic 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
2-amino-7-phosphonoheptanoic acid[no description available]medium10
thiorphan[no description available]medium10N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone[no description available]medium201,4-naphthoquinones
domperidone[no description available]medium30benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
droperidol[no description available]medium30aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
ebselen[no description available]medium30benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
ellipticine[no description available]medium30indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
emodin[no description available]medium20trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
ethosuximide[no description available]medium10dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
etodolac[no description available]medium20monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
felbamate[no description available]medium20carbamate esteranticonvulsant;
neuroprotective agent
felodipine[no description available]medium30dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fenofibrate[no description available]medium30aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
flumazenil[no description available]medium20ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
fluorouracil[no description available]medium30nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluspirilene[no description available]medium20diarylmethane
flutamide[no description available]medium20(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
formoterol fumarate[no description available]medium20formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
fpl 64176[no description available]medium20carboxylic ester;
pyrroles		calcium channel agonist
furafylline[no description available]medium10oxopurine
furosemide[no description available]medium20chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
fusaric acid[no description available]medium10aromatic carboxylic acid;
pyridines
gabapentin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
4-amino-5-hexynoic acid[no description available]medium10
glipizide[no description available]medium20aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
glyburide[no description available]medium30monochlorobenzenes;
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
1-(5-isoquinolinesulfonyl)piperazine[no description available]medium10isoquinolines
haloperidol[no description available]medium30aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
hemicholinium 3[no description available]medium10morpholines
4-fluorohexahydrosiladifenidol[no description available]medium10
hydrochlorothiazide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium10one-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
ibudilast[no description available]medium10pyrazolopyridine
ibuprofen[no description available]medium20monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
ic 261[no description available]medium20indoles
ifenprodil[no description available]medium10piperidines
indirubin-3'-monoxime[no description available]medium20
indomethacin[no description available]medium20aromatic 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
iodoacetamide[no description available]medium10
1-methyl-3-isobutylxanthine[no description available]medium103-isobutyl-1-methylxanthine
4-piperidinecarboxylic acid[no description available]medium20
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline[no description available]medium10
jl 18[no description available]medium20
nsc 664704[no description available]medium20indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
ketoconazole[no description available]medium20dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen[no description available]medium20benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
kynurenic acid[no description available]medium10monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid[no description available]medium10alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids		human metabolite;
metabotropic glutamate receptor antagonist
lamotrigine[no description available]medium201,2,4-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
lansoprazole[no description available]medium30benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone[no description available]medium20benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
leflunomide[no description available]medium20(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
linopirdine[no description available]medium20indoles
loratadine[no description available]medium30benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
loxoprofen[no description available]medium10cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one[no description available]medium10chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
meclofenamate sodium anhydrous[no description available]medium20organic sodium salt
methiothepin[no description available]medium10aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist
methoctramine[no description available]medium10aromatic ether;
tetramine		muscarinic antagonist
nocodazole[no description available]medium20aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine[no description available]medium10benzenes;
monocarboxylic acid
metolazone[no description available]medium20organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
milrinone[no description available]medium10bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
minoxidil[no description available]medium20dialkylarylamine;
tertiary amino compound
mitotane[no description available]medium10diarylmethane
mitoxantrone[no description available]medium20dihydroxyanthraquinoneanalgesic;
antineoplastic agent
ml 7[no description available]medium20N-sulfonyldiazepane;
organoiodine compound		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide[no description available]medium10naphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide
n-bromoacetamide[no description available]medium10
ethylmaleimide[no description available]medium10maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor
fg 7142[no description available]medium20beta-carbolines
fenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		membrane transport modulator
n 0840[no description available]medium20
nialamide[no description available]medium30organonitrogen compound;
organooxygen compound
niclosamide[no description available]medium20benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nifedipine[no description available]medium30C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
niflumic acid[no description available]medium20aromatic carboxylic acid;
pyridines
nilutamide[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nimesulide[no description available]medium20aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nimodipine[no description available]medium302-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nipecotic acid[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid
nitrendipine[no description available]medium30C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
masoprocol[no description available]medium20catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid[no description available]medium20nitrobenzoic acid
ns 2028[no description available]medium10
ns 1619[no description available]medium20(trifluoromethyl)benzenes;
benzimidazoles;
phenols		potassium channel opener
o(6)-benzylguanine[no description available]medium10
ofloxacin[no description available]medium303-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
olomoucine[no description available]medium202,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin[no description available]medium201,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxatomide[no description available]medium20benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
oxiracetam[no description available]medium10organonitrogen compound;
organooxygen compound
oxolinic acid[no description available]medium10aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor
quinone[no description available]medium101,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
fenclonine[no description available]medium10phenylalanine derivative
palmidrol[no description available]medium20endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent
1,7-dimethylxanthine[no description available]medium10dimethylxanthinecentral nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite
pd 98059[no description available]medium20aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
pentamidine[no description available]medium10aromatic 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
pentoxifylline[no description available]medium20oxopurine
perphenazine[no description available]medium30N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenyl biguanide[no description available]medium20guanidinescentral nervous system drug
phenylbutazone[no description available]medium30pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
phloretin[no description available]medium20dihydrochalconesantineoplastic agent;
plant metabolite
picotamide[no description available]medium20benzamides
pinacidil[no description available]medium30pyridines
pindolol[no description available]medium10indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
piperidine-4-sulfonic acid[no description available]medium10
piracetam[no description available]medium20organonitrogen compound;
organooxygen compound
pirenperone[no description available]medium30aromatic ketone
praziquantel[no description available]medium30isoquinolines
primidone[no description available]medium20pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
proglumide[no description available]medium10benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate		anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite
propentofylline[no description available]medium20oxopurine
propofol[no description available]medium10phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
pf 5901[no description available]medium30quinolines
riluzole[no description available]medium30benzothiazoles
risperidone[no description available]medium201,2-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
ritanserin[no description available]medium30organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone[no description available]medium10methoxybenzenes
rolipram[no description available]medium20pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salmeterol xinafoate[no description available]medium10ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
sb 202190[no description available]medium20imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane[no description available]medium10organic molecular entity
spiroxatrine[no description available]medium20imidazolidines
sq 22536[no description available]medium10nucleoside analogue;
oxolanes		EC 4.6.1.1 (adenylate cyclase) inhibitor
sulfaphenazole[no description available]medium10primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulpiride[no description available]medium10benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
t0156[no description available]medium20naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene[no description available]medium10
terfenadine[no description available]medium30diarylmethane
tetraisopropylpyrophosphamide[no description available]medium20phosphoramide
thalidomide[no description available]medium10phthalimides;
piperidones
theobromine[no description available]medium10dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate[no description available]medium10trihydroxybenzoic acid
tolazamide[no description available]medium20N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium20N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid[no description available]medium10
ici 136,753[no description available]medium20pyrazolopyridine
triamterene[no description available]medium20pteridinesdiuretic;
sodium channel blocker
trimethoprim[no description available]medium30aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
tropicamide[no description available]medium10acetamides
tyrphostin a9[no description available]medium20alkylbenzenegeroprotector
vigabatrin[no description available]medium10gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine[no description available]medium20
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole[no description available]medium20aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
zardaverine[no description available]medium10organofluorine compound;
pyridazinone		anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug
cortisone acetate[no description available]medium10corticosteroid hormone
corticosterone[no description available]medium3011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
reserpine[no description available]medium20alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
procaine hydrochloride[no description available]medium10organic molecular entity
isoproterenol hydrochloride[no description available]medium20catechols
histamine dihydrochloride[no description available]medium10
carbachol[no description available]medium10ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
spironolactone[no description available]medium203-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
estrone[no description available]medium3017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
androsterone[no description available]medium3017-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone
promazine hydrochloride[no description available]medium30hydrochloride
pilocarpine hydrochloride[no description available]medium20hydrochloride
dimethylphenylpiperazinium iodide[no description available]medium30N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt		nicotinic acetylcholine receptor agonist
pentylenetetrazole[no description available]medium10organic heterobicyclic compound;
organonitrogen heterocyclic compound
racepinephrine hydrochloride[no description available]medium20
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride[no description available]medium20
hexamethonium bromide[no description available]medium10
cystamine dihydrochloride[no description available]medium10
cantharidin[no description available]medium20cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
tetraethylammonium chloride[no description available]medium20organic chloride salt;
quaternary ammonium salt		potassium channel blocker
aspartic acid[no description available]medium10aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
glutamine[no description available]medium10amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
vincristine[no description available]medium10acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
physostigmine[no description available]medium20carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
promethazine hydrochloride[no description available]medium30hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
bromodeoxyuridine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
levodopa[no description available]medium10amino 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
methoxamine hydrochloride[no description available]medium30dimethoxybenzene
papaverine hydrochloride[no description available]medium30
bretylium tosylate[no description available]medium30organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
berlition[no description available]medium10dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid		cofactor;
nutraceutical;
prosthetic group
methacholine chloride[no description available]medium20quaternary ammonium salt
androstenedione[no description available]medium3017-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
colchicine[no description available]medium20alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
yohimbine hydrochloride[no description available]medium20
gallamine triethiodide[no description available]medium10
cycloheximide[no description available]medium10antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
egtazic acid[no description available]medium10diether;
tertiary amino compound;
tetracarboxylic acid		chelator
cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
17-alpha-hydroxyprogesterone[no description available]medium3017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin
quinacrine monohydrochloride[no description available]medium20
chlorpromazine hydrochloride[no description available]medium30hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug
cytarabine hydrochloride[no description available]medium20
tryptophan[no description available]medium20erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
lidocaine hydrochloride[no description available]medium30hydrochlorideanti-arrhythmia drug;
local anaesthetic
arginine[no description available]medium10arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
rotenone[no description available]medium20organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
synephrine[no description available]medium10ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
pyridostigmine bromide[no description available]medium20pyridinium salt
imipramine hydrochloride[no description available]medium30hydrochlorideantidepressant
neostigmine bromide[no description available]medium20bromide salt
edrophonium chloride[no description available]medium20chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium[no description available]medium20organic 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
pyrazolanthrone[no description available]medium20anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
methapyrilene hydrochloride[no description available]medium30hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
tetrracaine hydrochloride[no description available]medium20benzoate ester
chelidamic acid[no description available]medium10
2-chloroadenosine[no description available]medium30purine nucleoside
diphenhydramine hydrochloride[no description available]medium30hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
cysteamine hydrochloride[no description available]medium10
propantheline bromide[no description available]medium30xanthenes
hydralazine hydrochloride[no description available]medium10hydrochlorideantihypertensive agent;
vasodilator agent
ethamivan[no description available]medium20methoxybenzenes;
phenols
pargyline hydrochloride[no description available]medium30
aminophylline[no description available]medium10mixturebronchodilator agent;
cardiotonic drug
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
orphenadrine hydrochloride[no description available]medium30hydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
betamethasone[no description available]medium2011beta-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
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide[no description available]medium20
cyproterone acetate[no description available]medium2020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin
bicuculline[no description available]medium10benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
kainic acid[no description available]medium10dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist
podophyllotoxin[no description available]medium30furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
tetrahydrozoline hydrochloride[no description available]medium30hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
dequalinium chloride[no description available]medium20organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide[no description available]medium20
amitriptyline hydrochloride[no description available]medium30organic tricyclic compound
naphazoline hydrochloride[no description available]medium30organic molecular entity
doxylamine succinate[no description available]medium30organic molecular entity
carbamylhydrazine monohydrochloride[no description available]medium10organic molecular entity
formestane[no description available]medium3017-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
debrisoquin sulfate[no description available]medium10organic sulfate salt
betaine hydrochloride[no description available]medium10
bethanechol chloride[no description available]medium20carbamate ester;
chloride salt;
quaternary ammonium salt		muscarinic agonist
acetylcysteine[no description available]medium20acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
Mecamylamine hydrochloride[no description available]medium20monoterpenoid
vinblastine[no description available]medium10
cyproheptadine hydrochloride (anhydrous)[no description available]medium30hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol[no description available]medium20androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite
pimozide[no description available]medium30benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
azetidyl-2-carboxylic acid[no description available]medium10azetidine-2-carboxylic acid
muscarine[no description available]medium10
antazoline hydrochloride[no description available]medium30
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
meclofenoxate hydrochloride[no description available]medium10
clonidine hydrochloride[no description available]medium10dichlorobenzene
beclomethasone[no description available]medium3011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug
buthionine sulfoximine[no description available]medium20diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
mexiletine hydrochloride[no description available]medium20hydrochlorideanti-arrhythmia drug
cyclophosphamide[no description available]medium10hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent
suxamethonium chloride[no description available]medium10chloride saltmuscle relaxant
cyclobenzaprine hydrochloride[no description available]medium20hydrochlorideantidepressant;
muscle relaxant
n-methylaspartate[no description available]medium10amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent
3-deazaadenosine[no description available]medium20
metoclopramide hydrochloride[no description available]medium30
isoetharine mesylate[no description available]medium30
zalcitabine[no description available]medium10pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride[no description available]medium20
camptothecin[no description available]medium20delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
nsc-145,668[no description available]medium10hydrochlorideantimetabolite;
antineoplastic agent
clodronic acid[no description available]medium101,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent
benserazide hydrochloride[no description available]medium30hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide[no description available]medium20bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist
tetradecanoylphorbol acetate[no description available]medium20acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
danazol[no description available]medium2017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
metergoline[no description available]medium30carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist
lisuride[no description available]medium10monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist
disopyramide phosphate[no description available]medium20organoammonium phosphate
bromocriptine[no description available]medium10indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
ergocristine[no description available]medium10ergot alkaloid
triamcinolone[no description available]medium1011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
zidovudine[no description available]medium20azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
paclitaxel[no description available]medium20taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
buspirone hydrochloride[no description available]medium30hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
etoposide[no description available]medium20beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
propafenone hydrochloride[no description available]medium30hydrochlorideanti-arrhythmia drug
etazolate hydrochloride[no description available]medium20
butaclamol[no description available]medium10amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist
ribavirin[no description available]medium201-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
carbidopa[no description available]medium20catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
methyldopa[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
lonidamine[no description available]medium10dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
dexibuprofen[no description available]medium10ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug
quisqualic acid[no description available]medium10non-proteinogenic alpha-amino acid
pirfenidone[no description available]medium10pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flecainide acetate[no description available]medium30acetate saltanti-arrhythmia drug
nicardipine hydrochloride[no description available]medium30dihydropyridinegeroprotector
idarubicin[no description available]medium20anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
captopril[no description available]medium20alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous[no description available]medium30
pergolide mesylate[no description available]medium30methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector
ranitidine hydrochloride[no description available]medium10
colforsin[no description available]medium10acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
alo 2145[no description available]medium10hydrochloridealpha-adrenergic agonist;
antiglaucoma drug
enoximone[no description available]medium10aromatic ketone
atomoxetine[no description available]medium20aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
raloxifene hydrochloride[no description available]medium20hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
mifepristone[no description available]medium303-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
quinpirole hydrochloride[no description available]medium10
imazodan[no description available]medium10
mibefradil dihydrochloride[no description available]medium20
aptiganel hydrochloride[no description available]medium20
adenosine[no description available]medium10adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
phenelzine sulfate[no description available]medium20organic molecular entity
fluoxetine hydrochloride[no description available]medium30hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride[no description available]medium20hydrochloride
bupropion hydrochloride[no description available]medium20aromatic ketone
diltiazem hydrochloride[no description available]medium20hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent
trazodone hydrochloride[no description available]medium30hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
verapamil hydrochloride[no description available]medium30
doxazosin mesylate[no description available]medium30methanesulfonate saltgeroprotector
terfenadine[no description available]medium20diarylmethane
amantadine hydrochloride[no description available]medium30hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist
mevastatin[no description available]medium102-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite
chloroquine diphosphate[no description available]medium20
dobutamine hydrochloride[no description available]medium20hydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
desipramine hydrochloride[no description available]medium30hydrochloridedrug allergen
dopamine hydrochloride[no description available]medium30catecholamine
proadifen hydrochloride[no description available]medium20
4-nitrobenzylthioinosine[no description available]medium20purine nucleoside
metrifudil[no description available]medium10
rutecarpine[no description available]medium20beta-carbolines
trihexyphenidyl hydrochloride[no description available]medium30aralkylamine
thioridazine hydrochloride[no description available]medium30hydrochloridefirst generation antipsychotic;
geroprotector
procainamide hydrochloride[no description available]medium20hydrochlorideanti-arrhythmia drug
siquil[no description available]medium30hydrochlorideanticoronaviral agent
sotalol hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug;
beta-adrenergic antagonist
oxymetazoline hydrochloride[no description available]medium30hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
alprenolol hydrochloride[no description available]medium30hydrochloride
2-methoxyestradiol[no description available]medium3017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
fluphenazine hydrochloride[no description available]medium20phenothiazinesanticoronaviral agent
tryptamine monohydrochloride[no description available]medium20
clomipramine hydrochloride[no description available]medium30hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug
amiloride hydrochloride[no description available]medium20hydratediuretic;
sodium channel blocker
prazosin hydrochloride[no description available]medium30hydrochloride
mianserin hydrochloride[no description available]medium30hydrochloridegeroprotector
lomefloxacin hydrochloride[no description available]medium20hydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent
fenspiride hydrochloride[no description available]medium20
nilverm[no description available]medium20organic molecular entity
sanguinarine chloride[no description available]medium20
ropinirole hydrochloride[no description available]medium20indoles
plasmenylserine[no description available]medium10O-phosphoserineEC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride[no description available]medium10
n-acetyltryptamine[no description available]medium10acetamides;
indoles
D-serine[no description available]medium10D-alpha-amino acid;
serine zwitterion;
serine		Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist
dihydroergotamine mesylate[no description available]medium20methanesulfonate saltnon-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent
ranolazine hydrochloride[no description available]medium20
loxapine succinate[no description available]medium30succinate saltgeroprotector
guanfacine hydrochloride[no description available]medium30acetamidesgeroprotector
pirenzepine dihydrochloride[no description available]medium10hydrochloride
labetalol hydrochloride[no description available]medium30salicylamides
acecainide hydrochloride[no description available]medium20
loperamide hydrochloride[no description available]medium30hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
maprotiline hydrochloride[no description available]medium30anthracenes
protoporphyrin ix, disodium salt[no description available]medium10
siguazodan[no description available]medium10pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine[no description available]medium10
chelerythrine chloride[no description available]medium20
tosyllysine chloromethyl ketone[no description available]medium20
5-(n-methyl-n-isobutyl)amiloride[no description available]medium20
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride[no description available]medium20hydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride[no description available]medium20hydrochlorideanxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
pyrrolidine dithiocarbamic acid[no description available]medium20
agroclavine[no description available]medium10ergot alkaloid
s-methylisothiourea sulfate[no description available]medium10
p-Aminobenzamidine dihydrochloride[no description available]medium20organic molecular entity
benzamidine hydrochloride[no description available]medium10
ketorolac tromethamine[no description available]medium10organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
methionine sulfoximine[no description available]medium10L-alpha-amino acid zwitterion;
L-methionine derivative;
methionine sulfoximine;
non-proteinogenic L-alpha-amino acid		EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor;
geroprotector
tretazicar[no description available]medium10
carbetapentane citrate[no description available]medium20carbonyl compound
phentolamine mesylate[no description available]medium30
mephentermine[no description available]medium202-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite
oxybutynin hydrochloride[no description available]medium30hydrochloride
nimustine[no description available]medium10hydrochlorideantineoplastic agent
cordium[no description available]medium10hydrate;
hydrochloride
L-2-aminoadipic acid[no description available]medium102-aminoadipic acidEscherichia coli metabolite;
human metabolite
prilocaine hydrochloride[no description available]medium30hydrochloridelocal anaesthetic
mor-14[no description available]medium10hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound		anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite
brexanolone[no description available]medium203-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative
phenylisopropyladenosine[no description available]medium10aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent
hexamethonium chloride[no description available]medium10
6-(4-nitrobenzylthio)guanosine[no description available]medium20
3-aminopropylphosphonic acid[no description available]medium10phosphonic acids;
primary amino compound;
zwitterion		GABAB receptor agonist
5'-n-methylcarboxamideadenosine[no description available]medium10
3,7-dimethyl-1-propargylxanthine[no description available]medium10
zpck[no description available]medium20
n(6)-phenyladenosine[no description available]medium20purine nucleoside
tetrahydrodeoxycorticosterone[no description available]medium2021-hydroxy steroid
n-methyladenosine[no description available]medium10methyladenosine
mizoribine[no description available]medium20imidazolesanticoronaviral agent
1-amino-1,3-dicarboxycyclopentane[no description available]medium10
u 73122[no description available]medium10aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
alphaxalone[no description available]medium20corticosteroid hormone
s-nitrosoglutathione[no description available]medium10glutathione derivative;
nitrosothio compound		bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule
cp-55,940[no description available]medium20
vanoxerine[no description available]medium20hydrochloridedopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate[no description available]medium20beta-carbolines
u 69593[no description available]medium20monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound		anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist
cv 3988[no description available]medium20
beta-carboline-3-carboxylic acid methyl ester[no description available]medium20beta-carbolines
methoctramine[no description available]medium20hydrochloridemuscarinic antagonist
hypotaurine[no description available]medium10aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite
dihydrokainate[no description available]medium10dicarboxylic acid
gabazine[no description available]medium10
cl 218872[no description available]medium10pyridazines;
ring assembly
betaxolol hydrochloride[no description available]medium30hydrochlorideantihypertensive agent;
beta-adrenergic antagonist
catechin[no description available]medium10hydrategeroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine[no description available]medium20hydrobromideserotonergic antagonist
s-methylthiocitrulline[no description available]medium10imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent
dihydrocapsaicin[no description available]medium10capsaicinoid
ml 9[no description available]medium10
parthenolide[no description available]medium20germacranolide
3',4'-dichlorobenzamil[no description available]medium20guanidines;
pyrazines
1-(carboxymethylthio)tetradecane[no description available]medium10straight-chain fatty acid
2-iodomelatonin[no description available]medium10acetamides
arcaine, sulfate[no description available]medium10
gr 113808[no description available]medium20indolyl carboxylate ester;
piperidines;
sulfonamide		serotonergic antagonist
gamma-glutamylaminomethylsulfonic acid[no description available]medium10
buthionine sulfoximine[no description available]medium202-amino-4-(S-butylsulfonimidoyl)butanoic acidEC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
sb 204070a[no description available]medium20
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine[no description available]medium20(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline		geroprotector;
serotonergic agonist
l 655240[no description available]medium10methylindole
san 58035[no description available]medium20
nnc 711[no description available]medium10
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide[no description available]medium20diarylmethane
e 64[no description available]medium20dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor
azetidine-2,4-dicarboxylic acid[no description available]medium10
pre 084[no description available]medium20morpholines
methotrexate[no description available]medium20dicarboxylic 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
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol[no description available]medium20
sr 2640[no description available]medium20quinolines
ici 204448[no description available]medium10
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride[no description available]medium10
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide[no description available]medium20phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan[no description available]medium10
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine[no description available]medium20
l 741626[no description available]medium20piperidines
nisoxetine hydrochloride[no description available]medium20
ng-nitroarginine methyl ester[no description available]medium10hydrochlorideEC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate[no description available]medium10
alpha-guanidinoglutaric acid[no description available]medium10L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer[no description available]medium30
imidazole-4-acetic acid hydrochloride[no description available]medium10
nsc-141549[no description available]medium20
2-chloro-2-deoxyglucose[no description available]medium10
idazoxan hydrochloride[no description available]medium30
isoguvacine hydrochloride[no description available]medium10
8-methoxymethyl-3-isobutyl-1-methylxanthine[no description available]medium10oxopurine
cyc 202[no description available]medium202,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride[no description available]medium10tryptamines
n-phthaloylglutamic acid[no description available]medium10L-glutamic acid derivative;
phthalimides
1,3-dipropyl-7-methylxanthine[no description available]medium10
ag 3-5[no description available]medium10C-nitro compound
n-n-propylnorapomorphine[no description available]medium10aporphine alkaloid
urapidil monohydrochloride[no description available]medium20
aminopterin[no description available]medium20dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
azepexole, dihydrochloride[no description available]medium10
2,5-dimethoxy-4-iodoamphetamine hydrochloride[no description available]medium10
abt 980[no description available]medium20
sk&f 75670[no description available]medium20
esatenolol[no description available]medium10atenololbeta-adrenergic antagonist
nbi 27914[no description available]medium20dialkylarylamine;
tertiary amino compound
sb 216763[no description available]medium20indoles;
maleimides
(R)-atenolol[no description available]medium10atenolol
memantine hydrochloride[no description available]medium20hydrochlorideantidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
pefabloc[no description available]medium10
pongidae[no description available]medium20
succinylproline[no description available]medium10N-acyl-amino acid
sb 205384[no description available]medium20thienopyridine
hydrastine[no description available]medium20isoquinolinesmetabolite
gabaculine hydrochloride[no description available]medium10
etiron monohydrobromide[no description available]medium10
bmy 7378[no description available]medium10
vesamicol[no description available]medium10
cortisone[no description available]medium2011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
vincristine sulfate[no description available]medium20organic sulfate saltantineoplastic agent;
geroprotector
n-methylserotonin oxalate salt[no description available]medium10
nsc 95397[no description available]medium201,4-naphthoquinones
wortmannin[no description available]medium20acetate 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
lithium chloride[no description available]medium10inorganic chloride;
lithium salt		antimanic drug;
geroprotector
canavanine[no description available]medium10amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		phytogenic insecticide;
plant metabolite
5-hydroxytryptophan[no description available]medium105-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
plant metabolite
ouabain[no description available]medium3011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
tosylphenylalanyl chloromethyl ketone[no description available]medium20alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor
monoiodotyrosine[no description available]medium10amino acid zwitterion;
L-tyrosine derivative;
monoiodotyrosine;
non-proteinogenic L-alpha-amino acid		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
human metabolite;
mouse metabolite
nitroarginine[no description available]medium10guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid
willardiine[no description available]medium10amino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid
cortodoxone[no description available]medium30deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
amiodarone hydrochloride[no description available]medium30aromatic ketone
dicyclomine hydrochloride[no description available]medium30hydrochlorideantispasmodic drug;
muscarinic antagonist
metyrosine[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride[no description available]medium30organic tricyclic compoundgeroprotector
paromomycin sulfate[no description available]medium10
Dubinidine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
cyclopamine[no description available]medium10piperidinesglioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione[no description available]medium10peptide
hydroxylamine hydrochloride[no description available]medium20organic molecular entity
sb 228357[no description available]medium20indolyl carboxylic acid
3,5-dihydroxyphenylglycine[no description available]medium10amino acid zwitterion;
non-proteinogenic L-alpha-amino acid;
resorcinols
actinonin[no description available]medium20
vinpocetine[no description available]medium30alkaloidgeroprotector
dihydroergocristine monomesylate[no description available]medium30methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent
tretinoin[no description available]medium30retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
resveratrol[no description available]medium30resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
oleic acid[no description available]medium10octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
thapsigargin[no description available]medium20butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine[no description available]medium10
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol[no description available]medium20carbotetracyclic compound;
polyphenol		estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid[no description available]medium10
adenosine-5'-(n-ethylcarboxamide)[no description available]medium20adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
L-cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
1,4-dideoxy-1,4-imino-d-arabinitol[no description available]medium10
purvalanol a[no description available]medium10purvalanol
melphalan[no description available]medium20L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
isoliquiritigenin[no description available]medium20chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
rauwolscine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gw9662[no description available]medium20benzamides
calmidazolium[no description available]medium20organic chloride saltapoptosis inducer;
calmodulin antagonist
tropisetron hydrochloride[no description available]medium20
Reactive blue 2[no description available]medium10anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one[no description available]medium10dichlorobenzene
quinidine sulfate[no description available]medium20
ipratropium bromide anhydrous[no description available]medium20
methamilane methiodide[no description available]medium20
pilocarpine nitrate[no description available]medium20
r 59949[no description available]medium20diarylmethane
n(6)-cyclopentyladenosine[no description available]medium30
methylatropine nitrate[no description available]medium20
sb 366791[no description available]medium20
ag-213[no description available]medium20
3,3',4,5'-tetrahydroxystilbene[no description available]medium20catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
bemesetron[no description available]medium20
(S)-(-)-pindolol[no description available]medium10pindolol
levosulpiride[no description available]medium10sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
caffeic acid[no description available]medium20caffeic acidgeroprotector;
mouse metabolite
4-fluorophenyl-L-alanine[no description available]medium204-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid
urocanic acid[no description available]medium20urocanic acidhuman metabolite
cotinine[no description available]medium20N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
cinnarizine[no description available]medium30diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
sulindac[no description available]medium10monocarboxylic 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
cysteine sulfinic acid[no description available]medium10organosulfinic acid;
S-substituted L-cysteine		Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite
d-ap7[no description available]medium10
(1R,2S)-tranylcypromine hydrochloride[no description available]medium20hydrochloride
tacrine hydrochloride[no description available]medium30
4-bromotetramisole, oxalate (1:1), salt(s)-isomer[no description available]medium20
3-hydroxybenzylhydrazine hydrochloride[no description available]medium20
1-(3-chlorophenyl)biguanide hydrochloride[no description available]medium20
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer[no description available]medium10
capsazepine[no description available]medium20benzazepine;
catechols;
monochlorobenzenes;
thioureas		capsaicin receptor antagonist
diphenyleneiodium chloride[no description available]medium20organic chloride saltEC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer[no description available]medium10
tamoxifen citrate[no description available]medium20citrate saltangiogenesis inhibitor;
anticoronaviral agent
pimagedine hydrochloride[no description available]medium10
Betaine Aldehyde Chloride[no description available]medium10quaternary ammonium salt
eskazine[no description available]medium30
monastrol[no description available]medium10enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor
u 0126[no description available]medium20aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide[no description available]medium20iodide salt;
quaternary ammonium salt		cholinergic antagonist;
muscarinic antagonist
1-(4-hydroxybenzyl)imidazole-2-thiol[no description available]medium10
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide[no description available]medium20
bp 897[no description available]medium20naphthalenecarboxamide
trequinsin hydrochloride[no description available]medium20
neboglamine[no description available]medium10
benzatropine methanesulfonate[no description available]medium20
sb 203186[no description available]medium10indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea[no description available]medium201,2-thiazoles;
indoles;
ureas		receptor modulator;
serotonergic antagonist
gw 7647[no description available]medium20aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist
ro 41-0960[no description available]medium20
cgp 13501[no description available]medium10alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide[no description available]medium20
brl 15572[no description available]medium20monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol		geroprotector;
serotonergic antagonist
mrs 1523[no description available]medium20
or486[no description available]medium10
fg 9041[no description available]medium20quinoxaline derivative
iik7[no description available]medium10
sb 415286[no description available]medium20C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
dm 235[no description available]medium20
jhw 015[no description available]medium20indolecarboxamide
bw 723c86[no description available]medium20tryptamines
sc 560[no description available]medium20aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
sc-19220[no description available]medium10aromatic ether
le 300[no description available]medium20indoles
ly 367265[no description available]medium20dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline		antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor
diclofenac sodium[no description available]medium20organic sodium salt
cgp 7930[no description available]medium20alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole[no description available]medium20phenols;
pyrazoles		estrogen receptor agonist
sib 1757[no description available]medium20
sphingosine[no description available]medium10sphing-4-eninehuman metabolite;
mouse metabolite
apigenin[no description available]medium20trihydroxyflavoneantineoplastic agent;
metabolite
luteolin[no description available]medium103'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
daphnetin[no description available]medium20hydroxycoumarin
genistein[no description available]medium107-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
pulmicort[no description available]medium3011beta-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
timolol maleate[no description available]medium30maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
brompheniramine maleate[no description available]medium30maleate saltanti-allergic agent
chlorpheniramine maleate[no description available]medium20organic molecular entity
clemastine fumarate[no description available]medium20fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
methylergonovine maleate[no description available]medium20ergoline alkaloidgeroprotector
astaxanthine[no description available]medium20carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
harman[no description available]medium20harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
morin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent
myricetin[no description available]medium207-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
daidzein[no description available]medium107-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
caffeic acid phenethyl ester[no description available]medium20alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
rottlerin[no description available]medium20aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
flupenthixol[no description available]medium10flupenthixoldopaminergic antagonist
n-oleoyldopamine[no description available]medium20catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide		TRPV1 agonist
pheniramine maleate[no description available]medium20organic molecular entity
tranilast[no description available]medium30amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
trimipramine maleate[no description available]medium20maleate saltantidepressant
isotretinoin[no description available]medium20retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
xylometazoline hydrochloride[no description available]medium30
flunarizine hydrochloride[no description available]medium20diarylmethane
ketotifen fumarate[no description available]medium30organoammonium saltanti-asthmatic drug;
H1-receptor antagonist
cis-flupenthixol dihydrochloride[no description available]medium20hydrochloridegeroprotector
n-arachidonylglycine[no description available]medium20fatty amide;
N-acylglycine
n-oleoylethanolamine[no description available]medium20endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
cyclosporine[no description available]medium20homodetic 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
phenoxybenzamine hydrochloride[no description available]medium30organic molecular entity
phenylephrine hydrochloride[no description available]medium20hydrochloride
mepyramine maleate[no description available]medium30
brefeldin a[no description available]medium20macrolide antibioticPenicillium metabolite
fenretinide[no description available]medium20monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid[no description available]medium20benzoic acids;
naphthalenes;
retinoid		antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent
l-2-(carboxypropyl)glycine[no description available]medium10
4-aminocrotonic acid[no description available]medium10
denopamine[no description available]medium10dimethoxybenzene
l 655,708[no description available]medium20
ro 41-1049[no description available]medium10
sb 200646a[no description available]medium20
seglitide[no description available]medium10
sib 1893[no description available]medium10
su 6656[no description available]medium20
tyrphostin ag 555[no description available]medium30
tyrphostin ag-494[no description available]medium10
tyrphostin b44[no description available]medium20
ag-490[no description available]medium20catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor
ag 112[no description available]medium20
ag 183[no description available]medium20
semaxinib[no description available]medium20olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
8-(3-chlorostyryl)caffeine[no description available]medium20monochlorobenzenes;
trimethylxanthine		adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085[no description available]medium20benzenes;
nitrile;
sulfone		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor
molsidomine[no description available]medium20ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
diamide[no description available]medium101,1'-azobis(N,N-dimethylformamide)
nomifensine maleate[no description available]medium20
nalbuphine hydrochloride[no description available]medium20hydrochloride
isoalloxazine[no description available]medium10benzo[g]pteridine-2,4-dione
vinblastine sulfate[no description available]medium30
n-methylscopolamine bromide[no description available]medium20
dextromethorphan hydrobromide[no description available]medium20hydrate;
hydrobromide
naloxone hydrochloride[no description available]medium10hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid[no description available]medium20sesquiterpenoid
sulindac sulfone[no description available]medium10monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
naltrexone hydrochloride[no description available]medium30hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
guanabenz acetate[no description available]medium30dichlorobenzenegeroprotector
nylidrin hydrochloride[no description available]medium30alkylbenzene
triprolidine hydrochloride anhydrous[no description available]medium30hydrochlorideH1-receptor antagonist
famotidine[no description available]medium101,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
fenoterol[no description available]medium10hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
tiapridex[no description available]medium20benzamides
quipazine maleate[no description available]medium20
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride[no description available]medium10
tulobuterol hydrochloride[no description available]medium20organic molecular entity
hp 029[no description available]medium20
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide[no description available]medium10
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one[no description available]medium20naphthalenes
nf023[no description available]medium10
nf 449[no description available]medium20
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine[no description available]medium20
gr 46611[no description available]medium10
diacetylmonoxime[no description available]medium10
homatropine hydrobromide, (endo-(+-)-isomer)[no description available]medium20
vancomycin hydrochloride[no description available]medium10
moxisylyte hydrochloride[no description available]medium20monoterpenoid
dizocilpine maleate[no description available]medium20maleate salt;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
beta-aminopropionitrile fumarate[no description available]medium10
flupirtine[no description available]medium20
zimelidine hydrochloride[no description available]medium20
pregna-4,17-diene-3,16-dione, (17z)-isomer[no description available]medium20
su 4312[no description available]medium20
gw 1929[no description available]medium20benzophenones
protriptyline hydrochloride[no description available]medium30hydrochlorideantidepressant
n(4)-chloroacetylcytosine arabinoside[no description available]medium10
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide[no description available]medium20
n-(4-amino-2-chlorophenyl)phthalimide[no description available]medium10
cb 34[no description available]medium10
b 43[no description available]medium20aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol[no description available]medium10aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol[no description available]medium10aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane[no description available]medium10
2-(3,3-diphenylpropylamino)acetamide[no description available]medium20diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide[no description available]medium10
gw2974[no description available]medium10pyridopyrimidine
l 162313[no description available]medium20
l-165041[no description available]medium10aromatic ketone
mrs 1754[no description available]medium10oxopurine
s-nitroso-n-acetylpenicillamine[no description available]medium10nitroso compound;
nitrosothio compound		nitric oxide donor;
vasodilator agent
pd 404182[no description available]medium10
sb 222200[no description available]medium20quinolines
dantrolene sodium[no description available]medium20
cr 2945[no description available]medium20
sb 218795[no description available]medium20quinolines
dihydroceramide[no description available]medium10N-acylsphinganine
epinephrine bitartrate[no description available]medium30
bicuculline methobromide[no description available]medium30
butylscopolammonium bromide[no description available]medium20
butaclamol hydrochloride[no description available]medium30
a 38503[no description available]medium20
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide[no description available]medium10
sk&f 89976-a[no description available]medium10
cv 1808[no description available]medium20purine nucleoside
fluvoxamine maleate[no description available]medium20(trifluoromethyl)benzenes
naloxone benzoylhydrazone[no description available]medium20
2-methyl-6-(phenylethynyl)pyridine hydrochloride[no description available]medium20hydrochlorideanxiolytic drug;
metabotropic glutamate receptor antagonist
amiprilose[no description available]medium10
(R)-fluoxetine hydrochloride[no description available]medium20hydrochlorideantidepressant;
serotonin uptake inhibitor
desmethylselegiline hydrochloride[no description available]medium10
3-morpholino-sydnonimine monohydrochloride[no description available]medium30
t 1032[no description available]medium20
qx-314 bromide[no description available]medium10
(S)-fluoxetine hydrochloride[no description available]medium20hydrochlorideantidepressant;
serotonin uptake inhibitor
sr 59230a[no description available]medium20
u 74389g[no description available]medium20
1-(2-methoxyphenyl)piperazine hydrochloride[no description available]medium20
y 27632, dihydrochloride, (4(r)-trans)-isomer[no description available]medium10
noscapine hydrochloride[no description available]medium20
a 77636[no description available]medium20hydrochlorideantiparkinson drug;
dopamine agonist
cgp 20712a[no description available]medium20
levodopa methyl ester hydrochloride[no description available]medium20
benalfocin hydrochloride[no description available]medium10
lu 19005[no description available]medium20
benoxathian hydrochloride[no description available]medium20
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer[no description available]medium20
n-cyclopropyl adenosine-5'-carboxamide[no description available]medium10
cefotaxime sodium[no description available]medium20organic sodium salt
calpain inhibitor iii[no description available]medium20
GR 127935 hydrochloride[no description available]medium20hydrochlorideserotonergic antagonist
mrs 1845[no description available]medium20
1-aminocyclopropane-1-carboxylic acid hydrochloride[no description available]medium20
alaproclate hydrochloride[no description available]medium20
ubenimex[no description available]medium20peptide
3-chloroalanine hydrochloride, (l-ala)-isomer[no description available]medium10
dsp 4 hydrochloride[no description available]medium20
calcimycin[no description available]medium20benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride[no description available]medium20hydrochloridealpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride[no description available]medium20
cirazoline monohydrochloride[no description available]medium20
adtn[no description available]medium20
apocodeine hydrochloride, (r)-isomer[no description available]medium20
Dihydro-beta-erythroidine hydrobromide[no description available]medium10indoles
lilly 78335[no description available]medium20
efaroxan hydrochloride[no description available]medium20
fenoldopam hydrobromide[no description available]medium20
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride[no description available]medium20hydrochloridedopamine uptake inhibitor
guvacine hydrochloride[no description available]medium10
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide[no description available]medium20
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,[no description available]medium20organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one[no description available]medium20hydrochloridereceptor modulator;
serotonergic antagonist
4-iodoclonidine[no description available]medium20
4-methylpyrazole monohydrochloride[no description available]medium10
tele-methylhistamine[no description available]medium10
alpha-methyltyrosine methyl ester, monohydrochloride[no description available]medium20
octoclothepine maleate[no description available]medium20
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride[no description available]medium20
du 24565[no description available]medium20
2-methoxyidazoxan hydrochloride[no description available]medium20
ro 25-6981[no description available]medium20
sk&f 77434[no description available]medium20hydrobromidedopamine agonist;
prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea[no description available]medium20organic heterotetracyclic compound;
organonitrogen heterocyclic compound
demethylcantharidin[no description available]medium20
atropine sulfate[no description available]medium20
1-deoxynojirimycin hydrochloride[no description available]medium10
win 62577[no description available]medium20
quinine sulfate[no description available]medium20hydrate
quercetin[no description available]medium20
rv 538, (r-(r*,r*))-isomer[no description available]medium20
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer[no description available]medium20
valproate sodium[no description available]medium10organic sodium saltgeroprotector
u 63557a[no description available]medium10
taurocholic acid, monosodium salt[no description available]medium20bile salt
cefmetazole sodium[no description available]medium10organic sodium saltantimicrobial agent
fusidate sodium[no description available]medium20
cephapirin sodium[no description available]medium10cephalosporin;
organic sodium salt		antibacterial drug
sodium cephalothin[no description available]medium10organic sodium salt
cefazolin sodium[no description available]medium30organic sodium salt
5-hydroxydecanoic acid, monosodium salt[no description available]medium10
ro13-9904[no description available]medium10
phenytoin sodium[no description available]medium10
cr 1409[no description available]medium10
cortisol succinate, sodium salt[no description available]medium20organic molecular entity
piroxicam[no description available]medium30benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
lfm a13[no description available]medium10aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor
l 701324[no description available]medium10quinolines
hispidin[no description available]medium202-pyranones;
catechols		antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite
minocycline hydrochloride[no description available]medium20
demeclocycline hydrochloride[no description available]medium30
acyclovir[no description available]medium202-aminopurines;
oxopurine		antimetabolite;
antiviral drug
sepiapterin[no description available]medium10sepiapterin
isoxanthopterin[no description available]medium10dihydroxypteridine
clozapine[no description available]medium30benzodiazepine;
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
ganciclovir[no description available]medium202-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
zaprinast[no description available]medium20triazolopyrimidines
allopurinol[no description available]medium20nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
thiolactomycin[no description available]medium10
2,4-diaminohypoxanthine[no description available]medium10hydroxypyrimidine
quazinone[no description available]medium10
8-bromocyclic gmp, sodium salt[no description available]medium20organic sodium saltmuscle relaxant;
protein kinase G agonist
ag-879[no description available]medium20
cgp 52411[no description available]medium10phthalimidesgeroprotector;
tyrosine kinase inhibitor
aa 861[no description available]medium201,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor
bu 224[no description available]medium10quinolines
chloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
ml 9[no description available]medium10naphthalenes;
sulfonic acid derivative
pd 169316[no description available]medium10imidazoles
2-bromoergocryptine mesylate[no description available]medium10methanesulfonate saltantiparkinson drug
salmeterol xinafoate[no description available]medium10naphthoic acid
finasteride[no description available]medium103-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
eliprodil[no description available]medium10monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound
sertraline hydrochloride[no description available]medium10hydrochlorideantidepressant;
serotonin uptake inhibitor
opipramol hydrochloride[no description available]medium10
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole[no description available]medium10ether;
imidazoles;
monomethoxybenzene		TRP channel blocker
u 78517f[no description available]medium10
mk 912[no description available]medium10
sk&f 86466[no description available]medium10benzazepine
w 7[no description available]medium10
4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine[no description available]medium10
dizocilpine[no description available]medium10secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
6-bromoindirubin-3'-oxime[no description available]medium10
h 89[no description available]medium10N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
phenylthiazolylthiourea[no description available]medium10
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)[no description available]medium10benzimidazoles
tg 003[no description available]medium10
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene[no description available]medium10C-nitro compound;
sulfonamide;
toluenes		bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector
quinine[no description available]medium10cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
l 663536[no description available]medium10aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
su 9516[no description available]medium10
ml 10302[no description available]medium10
ag 538[no description available]medium10
bw b70c[no description available]medium10aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
mg 624[no description available]medium10
5-(4-phenylbutoxy)psoralen[no description available]medium10aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker
bisoprolol, fumarate (1:1) salt[no description available]medium10
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride[no description available]medium10
ro 8-4304[no description available]medium10
sb 203186[no description available]medium10
2-hydroxyapomorphine, (r)-isomer[no description available]medium10
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide[no description available]medium10hydrobromidedopamine agonist;
prodrug
9-xylosyladenine[no description available]medium10purine nucleoside
coumarin[no description available]medium10coumarinsfluorescent dye;
human metabolite;
plant metabolite
salicylic acid[no description available]medium10monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
malic acid[no description available]medium102-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental metabolite
histamine[no description available]medium10aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
naringenin[no description available]medium104'-hydroxyflavanones;
trihydroxyflavanone
niacinamide[no description available]medium10pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacin[no description available]medium10pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
pyrazinoic acid[no description available]medium10pyrazinecarboxylic acidantitubercular agent;
drug metabolite
1,10-phenanthroline[no description available]medium10phenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
ro 5-4864[no description available]medium10
5,8,11,14-eicosatetraynoic acid[no description available]medium10long-chain fatty acid
etofylline[no description available]medium10oxopurine
acetarsol[no description available]medium10acetamides;
anilide
anisindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant;
vitamin K antagonist
astemizole[no description available]medium10benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
bendroflumethiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
benzothiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
bay h 4502[no description available]medium10biphenyls;
imidazoles
bisacodyl[no description available]medium10diarylmethane
bufexamac[no description available]medium10aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
butacaine[no description available]medium10benzoate ester
butamben[no description available]medium10amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic
chlorthalidone[no description available]medium10isoindoles;
monochlorobenzenes;
sulfonamide
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide[no description available]medium10sulfonamide
dapsone[no description available]medium10substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
deferiprone[no description available]medium104-pyridonesiron chelator;
protective agent
dibucaine[no description available]medium10aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic
dichlorophen[no description available]medium10bridged diphenyl fungicide;
diarylmethane
diflunisal[no description available]medium10monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dipropizine[no description available]medium10piperazines
dyphylline[no description available]medium10oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
epirizole[no description available]medium10aromatic ether
ethacrynic acid[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
myambutol[no description available]medium10amino alcohol
ethoxzolamide[no description available]medium10aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
4-biphenylylacetic acid[no description available]medium10biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug
fenbufen[no description available]medium104-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug
flucytosine[no description available]medium10aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flufenamic acid[no description available]medium10aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flumequine[no description available]medium103-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic
flurbiprofen[no description available]medium10fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
fluorometholone[no description available]medium10
1-(5-isoquinolinesulfonyl)-2-methylpiperazine[no description available]medium10isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor
harmaline[no description available]medium10harmala alkaloidoneirogen
hexachlorophene[no description available]medium10bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
hexamethylene bisacetamide[no description available]medium10acetamides
hycanthone[no description available]medium10thioxanthenesmutagen;
schistosomicide drug
hydroflumethiazide[no description available]medium10benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
lidocaine[no description available]medium10benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
amrinone[no description available]medium10bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium10indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
indoprofen[no description available]medium10gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ipriflavone[no description available]medium10aromatic ether;
isoflavones		bone density conservation agent
isoniazid[no description available]medium10carbohydrazideantitubercular agent;
drug allergen
itraconazole[no description available]medium10piperazines
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
ly 171883[no description available]medium10acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist
edaravone[no description available]medium10pyrazoloneantioxidant;
radical scavenger
mefenamic acid[no description available]medium10aminobenzoic 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
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
metronidazole[no description available]medium10C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
moclobemide[no description available]medium10benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
acecainide[no description available]medium10acetamides;
benzamides		anti-arrhythmia drug
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
norfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
cm 7116[no description available]medium10benzodiazepine
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
aminosalicylic acid[no description available]medium10aminobenzoic acid;
phenols		antitubercular agent
phenindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant
phenolphthalein[no description available]medium10phenols
4-phenylbutyric acid[no description available]medium10monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
pipemidic acid[no description available]medium10amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
probenecid[no description available]medium10benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
prochlorperazine[no description available]medium10N-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
proxyphylline[no description available]medium10oxopurine
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
ronidazole[no description available]medium10C-nitro compound;
carbamate ester;
imidazoles		antiparasitic agent;
antiprotozoal drug
salicylamide[no description available]medium10phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
spiperone[no description available]medium10aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
aldactazide[no description available]medium10steroid lactone
streptonigrin[no description available]medium10pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
sulfabenzamide[no description available]medium10benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug
sulfacetamide[no description available]medium10N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfadimethoxine[no description available]medium10aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamerazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
sulfamethazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethizole[no description available]medium10sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole[no description available]medium10isoxazoles;
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
sulfamethoxypyridazine[no description available]medium10pyridazines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
tegafur[no description available]medium10organohalogen compound;
pyrimidines
terazosin[no description available]medium10furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
tinidazole[no description available]medium10imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tolnaftate[no description available]medium10monothiocarbamic esterantifungal drug
trapidil[no description available]medium10triazolopyrimidines
trichlormethiazide[no description available]medium10benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic
tyramine[no description available]medium10monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
vesamicol[no description available]medium10piperidines
xylazine[no description available]medium101,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
zopiclone[no description available]medium10monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
hydrocortisone acetate[no description available]medium10cortisol ester;
tertiary alpha-hydroxy ketone
oxyphenonium bromide[no description available]medium10
phentolamine[no description available]medium10imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
neostigmine methylsulfate[no description available]medium10arylammonium sulfate saltEC 3.1.1.8 (cholinesterase) inhibitor
prednisolone acetate[no description available]medium10corticosteroid hormone
trichlorfon[no description available]medium10organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
azauridine[no description available]medium10N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite
desoxycorticosterone acetate[no description available]medium10corticosteroid hormone
benzyltrimethylammonium chloride[no description available]medium10
ethinyl estradiol[no description available]medium1017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
uridine[no description available]medium10uridinesdrug metabolite;
fundamental metabolite;
human metabolite
tolazoline hydrochloride[no description available]medium10benzenes
acetylcholine chloride[no description available]medium10quaternary ammonium salt
desoxycorticosterone[no description available]medium1020-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
fluocinolone acetonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
norethynodrel[no description available]medium10oxo steroid
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
trifluridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
4-hydroxypropiophenone[no description available]medium10acetophenones
medroxyprogesterone acetate[no description available]medium1020-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
isopropamide iodide[no description available]medium10diarylmethane
mestranol[no description available]medium1017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
triamcinolone acetonide[no description available]medium1011beta-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
dehydrocholic acid[no description available]medium1012-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug
methylprednisolone[no description available]medium106-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
9,10-phenanthrenequinone[no description available]medium10phenanthrenes
phenothiazine[no description available]medium10phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
mecoprop[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes
2-methyl-4-chlorophenoxyacetic acid[no description available]medium10chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin
arsanilic acid[no description available]medium10organoarsonic acid
3-aminobenzoic acid[no description available]medium10aminobenzoic acid
thiodipropionic acid[no description available]medium10dicarboxylic acid
maltol[no description available]medium104-pyranonesmetabolite
cinchophen[no description available]medium10quinolines
phenazopyridine hydrochloride[no description available]medium10hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
protocatechualdehyde[no description available]medium10dihydroxybenzaldehyde
20-alpha-dihydroprogesterone[no description available]medium1020-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite
quinestrol[no description available]medium1017-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
tripelennamine hydrochloride[no description available]medium10
chlormadinone acetate[no description available]medium10corticosteroid hormone
fluocinonide[no description available]medium10organic molecular entity
fluorometholone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
xanthinol niacinate[no description available]medium10
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
medroxyprogesterone[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive
1,2-naphthoquinone[no description available]medium101,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent
4,4'-bipyridyl[no description available]medium10bipyridine
monoacetyldapsone[no description available]medium10acetamides;
anilide;
secondary carboxamide;
sulfone
chlorotrianisene[no description available]medium10chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen
aminacrine[no description available]medium10
isoxsuprine hydrochloride[no description available]medium10alkylbenzene
megestrol acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
2-hydroxyacetanilide[no description available]medium10acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite
clopamide[no description available]medium10sulfonamide
phosmet[no description available]medium10organic thiophosphate;
organothiophosphate insecticide;
phthalimides		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
levonorgestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
malononitrile dimer[no description available]medium10
diphenyl disulfide[no description available]medium10benzenes
estradiol valerate[no description available]medium10steroid ester
tetramethylpyrazine[no description available]medium10alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
2,2'-dipyridylamine[no description available]medium10
pregnenolone carbonitrile[no description available]medium10aliphatic nitrile
flurandrenolone[no description available]medium1021-hydroxy steroid
diethylcarbamazine citrate[no description available]medium10piperazinecarboxamide
azacyclonol[no description available]medium10diarylmethane
guaiacoxyacetic acid[no description available]medium10
methylene diphosphonate[no description available]medium101,1-bis(phosphonic acid)bone density conservation agent;
chelator
amiloride hydrochloride, anhydrous[no description available]medium10hydrochloridediuretic;
sodium channel blocker
flumethasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
azaribine[no description available]medium10acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug
hydrocortisone hemisuccinate[no description available]medium10dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone
mebeverine hydrochloride[no description available]medium10
stavudine[no description available]medium10dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
clidinium bromide[no description available]medium10
diloxanide furoate[no description available]medium10carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide		antiamoebic agent;
prodrug
nitroxoline[no description available]medium10C-nitro compound;
monohydroxyquinoline		antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent
cladribine[no description available]medium10organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
alverine citrate[no description available]medium10citrate salt;
organoammonium salt		antispasmodic drug;
cholinergic antagonist
cyclogyl[no description available]medium10
6-nitroindazole[no description available]medium10
hydrocortisone-17-butyrate[no description available]medium10butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone		dermatologic drug;
drug allergen
pentamethylmelamine[no description available]medium10
eedq[no description available]medium10
ornidazole[no description available]medium10C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
tetridamin[no description available]medium10
capobenic acid[no description available]medium10benzamides
thymolphthalein[no description available]medium10terpene lactone
clobetasol propionate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug
frentizole[no description available]medium10
eterobarb[no description available]medium10barbiturates
oxcarbazepine[no description available]medium10cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
moricizine hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug
proroxan hydrochloride[no description available]medium10
etomidate[no description available]medium10imidazoles
bezafibrate[no description available]medium10aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
sq-11725[no description available]medium10
picobenzide[no description available]medium10
triadimenol[no description available]medium10aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
cerm-1978[no description available]medium10hydrochloride
dazoxiben hydrochloride[no description available]medium10
lovastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
tobramycin sulfate[no description available]medium10
benzylaminopurine[no description available]medium106-aminopurinescytokinin;
plant metabolite
norharman[no description available]medium10beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
ticlopidine hydrochloride[no description available]medium10hydrochloride
sulconazole, mononitrate, (+-)-isomer[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
acetylcholine bromide[no description available]medium10bromide salt;
quaternary ammonium salt
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
tryptamide[no description available]medium10
oxyphencyclimine hydrochloride[no description available]medium10pyrimidines
diphenylpyraline hydrochloride[no description available]medium10hydrochloridecholinergic antagonist;
H1-receptor antagonist
mepivacaine hydrochloride[no description available]medium10hydrochloride;
piperidinecarboxamide		local anaesthetic
diphenidol hydrochloride[no description available]medium10diarylmethane
edoxudin[no description available]medium10pyrimidine 2'-deoxyribonucleoside
6-ketoestradiol[no description available]medium10
17 beta-estradiol hemisuccinate[no description available]medium10
amizyl[no description available]medium10
salicylhydroxamic acid[no description available]medium10hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
1,7-phenanthroline[no description available]medium10phenanthroline
3-fluoro-4-hydroxyphenylacetic acid[no description available]medium10
dyclonine hydrochloride[no description available]medium10hydrochloridetopical anaesthetic
miconazole nitrate[no description available]medium10
econazole nitrate[no description available]medium10
2,4-dimethoxybenzaldehyde[no description available]medium10
enrofloxacin[no description available]medium10cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent
clobetasone butyrate[no description available]medium10organic molecular entity
diflorasone diacetate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug;
antipruritic drug
hydroxyzine dihydrochloride[no description available]medium10
betamipron[no description available]medium10organonitrogen compound;
organooxygen compound
secnidazole[no description available]medium10C-nitro compound;
imidazoles;
secondary alcohol		epitope
ergocornine[no description available]medium10ergot alkaloid
pramoxine hydrochloride[no description available]medium10aromatic ether
butyrylcholine chloride[no description available]medium10
1-benzylimidazole[no description available]medium10
chloropyramine hydrochloride[no description available]medium10
6-aminoindazole[no description available]medium10indazoles
5-aminoindazole[no description available]medium10
2-methylhippuric acid[no description available]medium10N-acylglycinemetabolite
meclizine hydrochloride[no description available]medium10
11-hydroxyprogesterone, (11alpha)-isomer[no description available]medium1011alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid
malic acid, (r)-isomer[no description available]medium10malic acid
21-deoxycortisol[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone		human blood serum metabolite;
mouse metabolite
estrone 3-methyl ether[no description available]medium10
e-250[no description available]medium10
rac-glycerol 1-monodecanoate[no description available]medium10rac-1-monoacylglycerol
nipecotic acid amide[no description available]medium10piperidinecarboxamide
levcromakalim[no description available]medium101-benzopyran
tachistin[no description available]medium10
cortisol octanoate[no description available]medium10corticosteroid hormone
armepavine[no description available]medium10
bicuculline methiodide[no description available]medium10
beta-carboline-3-carboxylic acid ethyl ester[no description available]medium10beta-carbolines
tryptoline[no description available]medium10beta-carbolines
gamma-fagarine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
Zearalanone[no description available]medium10macrolide;
resorcinols
butethamate citrate[no description available]medium10
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol[no description available]medium10piperidines
1,3-dimethylbenzimidazoline-2-thione[no description available]medium10
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium10leucine derivative
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
dichloro-1,2-diaminocyclohexane platinum complex[no description available]medium10
1,4-di(2'-thienyl)-1,4-butadione[no description available]medium10
methyl 5-aminolevulinate hydrochloride[no description available]medium10hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
antazoline phosphate[no description available]medium10
pridinol mesylate[no description available]medium10
17 alpha-hydroxyprogesterone caproate[no description available]medium10corticosteroid hormone
atropine[no description available]medium10
5-fluorotryptamine monohydrochloride[no description available]medium10
piribedil mesylate[no description available]medium10
serc[no description available]medium10
procyclidine hydrochloride[no description available]medium10hydrochloride
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one[no description available]medium10macrolide
equilin[no description available]medium1017-oxo steroid;
3-hydroxy steroid
adrenosterone[no description available]medium1011-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite
gossypol acetic acid[no description available]medium10
epinastine[no description available]medium10corticosteroid hormone
benzatropine methanesulfonate[no description available]medium10
4',6-dihydroxy-5,7-dimethoxyflavone[no description available]medium10dihydroxyflavone;
dimethoxyflavone
2-hydroxyestradiol[no description available]medium1017beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
medrysone[no description available]medium10corticosteroid hormone
artisone acetate[no description available]medium10corticosteroid hormone
chondocurine (1beta)-(+-)-isomer[no description available]medium10aromatic ether
4-methoxyxanthone[no description available]medium10
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide[no description available]medium10amine
mandelic acid, (s)-isomer[no description available]medium10(2S)-2-hydroxy monocarboxylic acid;
mandelic acid
acebutolol hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
difluprednate[no description available]medium10butyrate ester;
corticosteroid hormone
dironyl[no description available]medium10organic molecular entity
amcinonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug
flumethasone pivalate[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
histidyl-proline diketopiperazine[no description available]medium10dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine		anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite
afimoxifene[no description available]medium10phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
ketoconazole[no description available]medium10cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
aphidicolin[no description available]medium10tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite
azaserine[no description available]medium10carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
maltitol[no description available]medium10alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent
chalcone[no description available]medium10chalconeEC 3.2.1.1 (alpha-amylase) inhibitor
thermospine[no description available]medium10
dibenzylidene acetone[no description available]medium10
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone[no description available]medium10cycloheptafuran
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester[no description available]medium102-methoxyethyl ester;
benzofurans
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid[no description available]medium10indolyl carboxylic acid
haplamine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
octotropine methylbromide[no description available]medium10
diethylstilbestrol dipropionate[no description available]medium10
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium10alkylbenzene
glycerylphosphorylcholine[no description available]medium10phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite
n-methylscopolamine nitrate[no description available]medium10
propylthiouracil[no description available]medium10pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
nsc 4347[no description available]medium10
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide[no description available]medium10benzamides
physostigmine salicylate[no description available]medium10azaheterocycle salicylate salt;
salicylates
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid[no description available]medium10coumarins
prothionamide[no description available]medium10pyridines
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one[no description available]medium10benzoxazine
dienestrol[no description available]medium10
methylthiouracil[no description available]medium10pyrimidone
4-methoxy-N-(3-pyridinylmethyl)benzamide[no description available]medium10benzamides
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester[no description available]medium10coumarins
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide[no description available]medium10phthalimides
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone[no description available]medium10stilbenoid
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole[no description available]medium10oxadiazole;
ring assembly
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid[no description available]medium10psoralens
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione[no description available]medium10pyrimidotriazine
thiothixene[no description available]medium10N-methylpiperazineanticoronaviral agent
curcumin[no description available]medium10aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one[no description available]medium10pyridochromene
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester[no description available]medium10chromones
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid[no description available]medium10coumarins
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one[no description available]medium10coumarins
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone[no description available]medium10quinolines
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one[no description available]medium10coumarins
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide[no description available]medium10aromatic amide;
furans
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide[no description available]medium10quinolines
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide[no description available]medium10quinolines
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone[no description available]medium10stilbenoid
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea[no description available]medium10benzothiazoles
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine[no description available]medium10dimethoxybenzene
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester[no description available]medium10flavones;
tert-butyl ester
ethylenethiourea[no description available]medium10imidazolidines
p-aminosalicylic acid monosodium salt[no description available]medium10organic molecular entity
digoxin[no description available]medium10cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
mecysteine hydrochloride[no description available]medium10alpha-amino acid ester
ethionamide[no description available]medium10pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
2-(2-furanyl)-4-thiazolidinecarboxylic acid[no description available]medium10organonitrogen compound;
organooxygen compound
dihydrosamidine[no description available]medium10
N-(2-methoxycyclohexyl)-3,4-dimethylaniline[no description available]medium10methylbenzene
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione[no description available]medium10methylbenzene
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester[no description available]medium10isopropyl ester;
piperazines
zeranol[no description available]medium10macrolide
monooctanoin[no description available]medium101-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol
trimethoprim[no description available]medium10
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid[no description available]medium10peptide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide[no description available]medium10dimethoxybenzene
3-acetyl-6-methyl-1H-quinolin-4-one[no description available]medium10quinolines
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone[no description available]medium10aryl sulfide
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide[no description available]medium10imidazolidines
Anthraniloyllycoctonine[no description available]medium10diterpene alkaloid
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide[no description available]medium10aromatic amide
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid[no description available]medium10harmala alkaloid
biochanin a[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
prostaglandin b1[no description available]medium10prostaglandins Bhuman metabolite
prostaglandin f1[no description available]medium10prostaglandins Falphahuman metabolite
zearalenone[no description available]medium10macrolide;
resorcinols		fungal metabolite;
mycoestrogen
estriol 17-glucuronide[no description available]medium10steroid saponin
4-hydroxyestradiol[no description available]medium104-hydroxy steroidmetabolite
menatetrenone[no description available]medium10menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent
dinoprost tromethamine[no description available]medium10organic molecular entity
hydrocortisone valerate[no description available]medium10cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester
prostaglandin f2 methyl ester[no description available]medium10prostanoid
2-bromoergocryptine mesylate[no description available]medium10
perhexiline maleate[no description available]medium10
ethisterone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		drug metabolite;
progestin
nalmefene[no description available]medium10morphinane alkaloid
6alpha-hydroxy-17beta-estradiol[no description available]medium106alpha-hydroxy steroid
desoximetasone[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
cytochalasin b[no description available]medium10cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
u-44619[no description available]medium10
furazolidone[no description available]medium10
nifuroxazide[no description available]medium10benzoic acids
rg 13022[no description available]medium10
styrylquinoline[no description available]medium102-styrylquinoline
kavain[no description available]medium10racemateglycine receptor antagonist
enalapril maleate[no description available]medium10maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
trimebutine maleate salt[no description available]medium10trihydroxybenzoic acid
vincristine sulfate[no description available]medium10
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one[no description available]medium10isoflavones
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid[no description available]medium10peptide
phentolamine[no description available]medium10
fendiline hydrochloride[no description available]medium10
nab-365[no description available]medium10hydrochloridebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
dithiazanine iodide[no description available]medium10benzothiazoles;
organic iodide salt		anthelminthic drug;
fluorochrome
sinequan[no description available]medium10dibenzooxazepine
buflomedil hydrochloride[no description available]medium10aromatic ketone
dirithromycin[no description available]medium10macrolide antibioticprodrug
fluphenazine[no description available]medium10
homochlorocyclizine monohydrochloride[no description available]medium10
butoxamine hydrochloride[no description available]medium10
scopolamine hydrobromide[no description available]medium10
emetine hydrochloride[no description available]medium10
6 beta-hydroxycortisol[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mammalian metabolite;
probe
androst-16-en-3-one[no description available]medium103-oxo steroid;
androstanoid		mammalian metabolite;
pheromone
dihydroouabain[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
radiosensitizing agent
LSM-6455[no description available]medium10peptide ergot alkaloid
estradiol 17-acetate[no description available]medium10steroid ester
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione[no description available]medium10pyrrolidines
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine[no description available]medium10pyrazoles;
ring assembly
bucladesine[no description available]medium103',5'-cyclic purine nucleotide
ampicillin sodium[no description available]medium10organic sodium salt
penicillin g potassium[no description available]medium10organic potassium salt
piperacillin sodium[no description available]medium10organic sodium salt
cefoxitin sodium[no description available]medium10organic molecular entity
nafcillin sodium[no description available]medium10organic sodium salt
cefamandole nafate[no description available]medium10organic sodium saltantibacterial drug
sodium diatrizoate[no description available]medium10organic sodium salt;
organoiodine compound		radioopaque medium
estrone sulfate, potassium salt[no description available]medium10
naproxen sodium[no description available]medium10organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
oxytetracycline, anhydrous[no description available]medium10
acenocoumarol[no description available]medium10C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
mobiflex[no description available]medium10heteroaryl 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
inosine[no description available]medium10inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
kf38789[no description available]medium10
pralidoxime iodide[no description available]medium10organic iodide salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator
pralidoxime chloride[no description available]medium10organic chloride salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator
ConditionIndicatedRelationship StrengthStudiesTrials
Benign Neoplasms0low10
Cancer0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Cystic Fibrosis0low10
Cystic Fibrosis of Pancreas0low10
Disease Models, Animal0low10
Fever, Zika0low10
Fibrocystic Disease of Pancreas0low10
Inflammation0low10
Innate Inflammatory Response0low10
Malaria, Falciparum0low10
Malignancy0low10
Malignant Neoplasms0low10
Mucoviscidosis0low10
Neoplasia0low10
Neoplasm0low10
Neoplasms0low10
Neoplasms, Benign0low10
Pancreatic Cystic Fibrosis0low10
Plasmodium falciparum Malaria0low10
Pulmonary Cystic Fibrosis0low10
Sensitivity and Specificity0low10
Tumors0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Bioavailability (2)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]