Compounds > oxiracetam
Page last updated: 2024-09-20

oxiracetam

Description

oxiracetam: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID4626
CHEMBL ID36633
CHEBI ID134788
SCHEMBL ID526050
MeSH IDM0120871

Synonyms (94)

Synonym
AC-670
4-hydroxypiracetam
(+-)-oxiracetam
1-pyrrolidineacetamide, 4-hydroxy-2-oxo-, (+-)-
(+-)-4-hydroxy-2-oxo-1-pyrrolidineacetamide
1-pyrrolidineacetamide, 4-hydroxy-2-oxo-
ccris 4221
4-hydroxy-2-oxo-1-pyrrolidineacetamide
cgp 21690e
oxiracetamum [inn-latin]
hydroxypiracetam
brn 1529719
isf 2522
isf-2522
oxiracetam
cgp-21690e
neuractiv
oriest
ct-848 ,
neuromet
EU-0100933
LOPAC0_000933
oxiracetam (inn)
D07346
62613-82-5
NCGC00094242-02
NCGC00094242-01
NCGC00015768-02
CHEBI:134788
O 3011
4-hydroxy-2-oxopyrrolidine-n-acetamide
NCGC00015768-04
gnf-pf-1005 ,
CHEMBL36633
2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
A21970
HMS3262L08
EN300-75437
dtxcid7025180
cas-62613-82-5
dtxsid9045180 ,
tox21_110218
AKOS013252523
CCG-205014
S4270
NCGC00015768-03
FT-0673341
FT-0673343
oxiracetam [inn:ban]
unii-p7u817352g
oxiracetamum
p7u817352g ,
FT-0630731
LP00933
AB05478
oxiracetam(random configuration)
2-(4-hydroxy-2-oxo-1-pyrrolidinyl)acetamide
O0398
SCHEMBL526050
oxiracetam [mi]
oxiracetam [mart.]
oxiracetam [who-dd]
oxiracetam [inn]
oxiracetam [jan]
4-hydroxy-2-oxo-pyrrolidinacetamide
NCGC00261618-01
tox21_500933
2-(4-hydroxypyrrolidin-2-on-1-yl) acetamide
oxiractam
4-hydroxypyrrolidin-2-on-1-yl acetamide
4-hydroxy-2-oxopyrrolidin-1-yl-acetamide
IHLAQQPQKRMGSS-UHFFFAOYSA-N
Q-201526
HY-B1715
CS-8012
mfcd00242951
isf2522
sr-01000076046
SR-01000076046-1
HMS3652J06
SW220157-1
BCP06209
Q415099
DB13601
AS-11801
r-oxiracetam; (r)-isf-2522;(r)-(+)-oxiracetam
BCP31146
SDCCGSBI-0050907.P002
HMS3885B17
NCGC00015768-07
AMY5769
CS3412
A861378
Z1178486698

Research Excerpts

Overview

ExcerptReference
"Oxiracetam (ORC) is a commonly used nootropic drug for improving cognition and memory impairments. "( Dong, Y; Jiang, X; Liu, Z; Lv, P; Qi, Q; Xu, J, 2019)
"Oxiracetam is a nootropic drug that is commonly used to treat cognitive deficits of cerebrovascular origins."( Guo, Y; Jiang, H; Li, W; Liu, H; Nie, Z; Pu, X; Sun, Y; Wang, C; Xiong, X; Zhang, K; Zhang, X; Zhao, X, 2017)
"Oxiracetam is a nootropic drug that improves clinical outcomes for some central nervous system (CNS) disorders."( Li, L; Nie, L; Yao, XL; Yao, ZH; Zhang, SF, 2016)
"Oxiracetam is a recently synthesized nootropic that was tested as a potential treatment for cognitive decline in patients with multi-infarct dementia (MID) and primary degenerative dementia (PDD). "( Dysken, MW; Katz, R; Kuskowski, M; Stallone, F, 1989)
"Oxiracetam is a new psychotropic drug that has been shown to positively affect processes both in animals and in patients with impaired brain function. "( Arrigo, A; Corsico, R; Gualtieri, S; Moglia, A; Sinforiani, E; Zandrini, C, 1986)

Actions

ExcerptReference
"1) Oxiracetam did not inhibit 3H-QNB binding in the cerebral cortex and hippocampus."( Mochizuki, D; Shinoda, Y; Sugiyama, S, 1992)

Treatment

ExcerptReference
"Oxiracetam-treated DBA mice demonstrated a significant increase in spatial learning performance as determined by the Morris task."( Clark, VJ; Fordyce, DE; Paylor, R; Wehner, JM, 1995)
"Oxiracetam treatment is able to restore the labeled choline content in the cells from SH rats, as well as the incorporation of choline into its derivatives PC and CPG, to the levels found in the WK or more."( Avellini, L; Belfiore, P; Brunetti, M; De Medio, GE; Gaiti, A; Mariani, O; Nardella, C; Terracina, L, 1991)
"Treatment with oxiracetam (400 mg/kg/d p.o.) for 14 days after the occlusion showed a tendency to an improvement in the disturbed circadian rhythm but did not influence the size of brain infarction."( Hasegawa, Y; Inukai, T; Kometani, M; Nakao, N; Okada, M; Takemori, E, 1991)
"Pretreatment with oxiracetam and D-pyroglutamic acid at doses ranging from 50 to 500 mg/kg SC dose-dependently prevented the disruptive effect of AP-5."( Paoli, F; Pepeu, G; Spignoli, G, 1990)

Drug Classes (2)

ClassDescription
organooxygen compoundAn organochalcogen compound containing at least one carbon-oxygen bond.
organonitrogen compoundAny heteroorganic entity containing at least one carbon-nitrogen bond.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency39.81070.003245.467312,589.2998AID1705
thioredoxin reductaseRattus norvegicus (Norway rat)Potency37.68580.100020.879379.4328AID588453
arylsulfatase AHomo sapiens (human)Potency4.77551.069113.955137.9330AID720538
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency0.02240.035520.977089.1251AID504332
Bloom syndrome protein isoform 1Homo sapiens (human)Potency25.11890.540617.639296.1227AID2364; AID2528
atrial natriuretic peptide receptor 1 precursorHomo sapiens (human)Potency8.49210.134610.395030.1313AID1347049
M-phase phosphoprotein 8Homo sapiens (human)Potency0.89130.177824.735279.4328AID488949
ATP-dependent phosphofructokinaseTrypanosoma brucei brucei TREU927Potency8.49210.060110.745337.9330AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (51)

Assay IDTitleYearJournalArticle
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
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.
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.
AID125744Amnesia-reversal activity in scopolamine-induced amnesia model of mice at 1 mg/kg i.p.1993Journal of medicinal chemistry, May-28, Volume: 36, Issue:11
Synthesis and amnesia-reversal activity of a series of 7- and 5-membered 3-acylamino lactams.
AID125742Amnesia-reversal activity in ECS-induced amnesia model of mice at 10 mg/kg i.p.1993Journal of medicinal chemistry, May-28, Volume: 36, Issue:11
Synthesis and amnesia-reversal activity of a series of 7- and 5-membered 3-acylamino lactams.
AID449704NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay2008Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26
In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID191747Percent reversal of scopolamine-induced amnesia rat at 30 mg/kg po1993Journal of medicinal chemistry, Dec-24, Volume: 36, Issue:26
Synthesis and pharmacological activity of a series of dihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-diones, a novel class of potent cognition enhancers.
AID449703NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay 2008Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26
In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID540209Volume of distribution at steady state in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID444055Fraction absorbed in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID191746Percent reversal of scopolamine-induced amnesia rat at 10 mg/kg po1993Journal of medicinal chemistry, Dec-24, Volume: 36, Issue:26
Synthesis and pharmacological activity of a series of dihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-diones, a novel class of potent cognition enhancers.
AID444056Fraction escaping gut-wall elimination in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
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.
AID444058Volume of distribution at steady state in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID125741Amnesia-reversal activity in ECS-induced amnesia model of mice at 1 mg/kg i.p.1993Journal of medicinal chemistry, May-28, Volume: 36, Issue:11
Synthesis and amnesia-reversal activity of a series of 7- and 5-membered 3-acylamino lactams.
AID444054Oral bioavailability in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID444051Total clearance in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID449705NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)2008Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26
In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID540213Half life in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID540210Clearance in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID444052Hepatic clearance in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID191745Percent reversal of scopolamine-induced amnesia rat following 10 mg/kg i.p.1993Journal of medicinal chemistry, Dec-24, Volume: 36, Issue:26
Synthesis and pharmacological activity of a series of dihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-diones, a novel class of potent cognition enhancers.
AID191743Percent reversal of scopolamine-induced amnesia rat following 1.0 mg/kg i.p.1993Journal of medicinal chemistry, Dec-24, Volume: 36, Issue:26
Synthesis and pharmacological activity of a series of dihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-diones, a novel class of potent cognition enhancers.
AID444057Fraction escaping hepatic elimination in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID540212Mean residence time in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID449706NOVARTIS: Inhibition Frequency Index (IFI) - the number of HTS assays where a compound showed > 50% inhibition/induction, expressed as a percentage of the number of assays in which the compound was tested.2008Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26
In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID125743Amnesia-reversal activity (AA) evaluated in ECS-induced amnesia model of mice at a dose of 100 mg/kg1993Journal of medicinal chemistry, May-28, Volume: 36, Issue:11
Synthesis and amnesia-reversal activity of a series of 7- and 5-membered 3-acylamino lactams.
AID444053Renal clearance in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
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.
AID588378qHTS for Inhibitors of ATXN expression: Validation
AID1347050Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay2019Science translational medicine, 07-10, Volume: 11, Issue:500
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
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.
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.
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.
AID1347049Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen2019Science translational medicine, 07-10, Volume: 11, Issue:500
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
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.
AID504836Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation2002The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16
Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
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.
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.
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.
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.
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.
AID588349qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
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.
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.
AID1347045Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line2019Science translational medicine, 07-10, Volume: 11, Issue:500
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
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).
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID602156Novartis GNF Liver Stage Dataset: Malariabox Annotation2011Science (New York, N.Y.), Dec-09, Volume: 334, Issue:6061
Imaging of Plasmodium liver stages to drive next-generation antimalarial drug discovery.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (155)

TimeframeStudies, This Drug (%)All Drugs %
pre-199043 (27.74)18.7374
1990's57 (36.77)18.2507
2000's10 (6.45)29.6817
2010's27 (17.42)24.3611
2020's18 (11.61)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 (%)
Trials22 (12.72%)5.53%
Reviews4 (2.31%)6.00%
Case Studies1 (0.58%)4.05%
Observational0 (0.00%)0.25%
Other146 (84.39%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (1)

Trial Overview

TrialPhaseEnrollmentStudy TypeStart DateStatus
A Randomized, Double-blind, Positive Drug/Placebo Parallel Controlled, Multicenter, Phase II Exploratory Clinical Trial of L-oxiracetam Injection to Improve Memory and Cognitive Impairment in Patients With Craniocerebral Injury[NCT04205565]Phase 2200 participants (Actual)Interventional2017-11-08Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
dimiracetam[no description available]medium10
scopolamine hydrobromide[no description available]medium170
scopolamine hydrobromide[no description available]medium171
aniracetam[no description available]medium110N-acylpyrrolidine;
pyrrolidin-2-ones
piracetam[no description available]medium310organonitrogen compound;
organooxygen compound
piracetam[no description available]medium312organonitrogen compound;
organooxygen compound
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]medium40acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
catechol[no description available]medium10catecholsallelochemical;
genotoxin;
plant metabolite
taxifolin[no description available]medium103'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone
phosphonoacetic acid[no description available]medium10monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid[no description available]medium10catechols;
dihydroxyphenylacetic acid		human metabolite
aminocaproic acid[no description available]medium20amino 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]medium10benzenediol;
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]medium10monocarboxylic 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]medium50non-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]medium10benzazepine;
catechols;
secondary amino compound
vanilmandelic acid[no description available]medium102-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite
1,10-diaminodecane[no description available]medium10
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]medium10aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole[no description available]medium10imidazoles
1-aminobenzotriazole[no description available]medium10
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]medium10oxadiazoloquinoxalineEC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl[no description available]medium10bipyridinechelator;
ferroptosis inhibitor
2-hydroxysaclofen[no description available]medium10organochlorine compound
3,4-dichloroisocoumarin[no description available]medium10isocoumarins;
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]medium20oxopurineanti-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]medium10benzoisoquinoline;
dicarboximide
4-aminopyridine[no description available]medium20aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker
homovanillic acid[no description available]medium10guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
4-hydroxybenzoic acid hydrazide[no description available]medium10carbohydrazide;
phenols
4-phenyl-3-furoxancarbonitrile[no description available]medium101,2,5-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]medium30imidazolidine-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]medium10aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines		antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker
ethylisopropylamiloride[no description available]medium10aromatic 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]medium10indolyl carboxylic acid
hydroxyindoleacetic acid[no description available]medium10indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
phenanthridone[no description available]medium10lactam;
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]medium10
7-chlorokynurenic acid[no description available]medium10organochlorine compound;
quinolinemonocarboxylic acid		neuroprotective agent;
NMDA receptor antagonist
7-nitroindazole[no description available]medium10
8-(4-sulfophenyl)theophylline[no description available]medium10
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]medium10nitrophenol
rtki cpd[no description available]medium10aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
tyrphostin a23[no description available]medium10catechols
tyrphostin 25[no description available]medium10benzenetriol
tyrphostin a1[no description available]medium10methoxybenzenesgeroprotector
1-aminoindan-1,5-dicarboxylic acid[no description available]medium30
albuterol[no description available]medium30phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alpha-methyltyrosine methyl ester[no description available]medium10
altretamine[no description available]medium10triamino-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]medium30dimethylxanthineadenosine 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]medium10dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
2-amino-4-phosphonobutyric acid[no description available]medium10
aspirin[no description available]medium20benzoic 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]medium40ethanolamines;
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]medium10monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid		fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist
azathioprine[no description available]medium10aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azelaic acid[no description available]medium10alpha,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]medium10(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]medium10N-acylindole
brimonidine[no description available]medium10imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
bumetanide[no description available]medium30amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine[no description available]medium40purine 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]medium30dibenzoazepine;
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]medium10carbamate estermuscle relaxant
carmustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
cgs 12066[no description available]medium10N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline		serotonergic agonist
cgs 15943[no description available]medium10aromatic 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]medium30monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorzoxazone[no description available]medium101,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
cilostamide[no description available]medium10quinolines
cilostazol[no description available]medium10lactam;
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]medium10cinnolines;
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]medium30conazole 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]medium30benzothiadiazine;
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]medium10piperidines;
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]medium30monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium10organic 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]medium30
thiorphan[no description available]medium10N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone[no description available]medium101,4-naphthoquinones
domperidone[no description available]medium30benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
ebselen[no description available]medium10benzoselenazoleanti-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]medium10indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
emodin[no description available]medium10trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
ethosuximide[no description available]medium10dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
etodolac[no description available]medium10monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
felbamate[no description available]medium10carbamate 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]medium10aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
flumazenil[no description available]medium30ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
fluorouracil[no description available]medium20nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluspirilene[no description available]medium10diarylmethane
flutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
formoterol fumarate[no description available]medium10formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
fpl 64176[no description available]medium10carboxylic ester;
pyrroles		calcium channel agonist
furafylline[no description available]medium10oxopurine
furosemide[no description available]medium30chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
fusaric acid[no description available]medium10aromatic carboxylic acid;
pyridines
gabapentin[no description available]medium30gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
4-amino-5-hexynoic acid[no description available]medium10
glipizide[no description available]medium30aromatic 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]medium50aromatic 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]medium10benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium30one-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]medium30monocarboxylic 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]medium10indoles
ifenprodil[no description available]medium10piperidines
indirubin-3'-monoxime[no description available]medium10
indomethacin[no description available]medium30aromatic 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]medium10
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline[no description available]medium10
jl 18[no description available]medium10
nsc 664704[no description available]medium10indolobenzazepine;
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]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen[no description available]medium30benzophenones;
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]medium20monohydroxyquinoline;
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]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
leflunomide[no description available]medium10(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]medium10indoles
loratadine[no description available]medium10benzocycloheptapyridine;
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]medium10organic 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]medium10aromatic 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]medium30organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
milrinone[no description available]medium30bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
minoxidil[no description available]medium10dialkylarylamine;
tertiary amino compound
mitotane[no description available]medium10diarylmethane
mitoxantrone[no description available]medium20dihydroxyanthraquinoneanalgesic;
antineoplastic agent
ml 7[no description available]medium10N-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]medium10beta-carbolines
fenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		membrane transport modulator
n 0840[no description available]medium10
nialamide[no description available]medium10organonitrogen compound;
organooxygen compound
niclosamide[no description available]medium10benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nifedipine[no description available]medium40C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
niflumic acid[no description available]medium10aromatic carboxylic acid;
pyridines
nilutamide[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nimesulide[no description available]medium10aromatic 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]medium20C-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]medium10catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid[no description available]medium10nitrobenzoic acid
ns 2028[no description available]medium10
ns 1619[no description available]medium10(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]medium102,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin[no description available]medium101,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxatomide[no description available]medium10benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
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]medium10endocannabinoid;
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]medium10aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
pentamidine[no description available]medium40aromatic 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]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenyl biguanide[no description available]medium10guanidinescentral nervous system drug
phenylbutazone[no description available]medium10pyrazolidinesantirheumatic 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]medium10dihydrochalconesantineoplastic agent;
plant metabolite
picotamide[no description available]medium10benzamides
pinacidil[no description available]medium10pyridines
pindolol[no description available]medium30indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
piperidine-4-sulfonic acid[no description available]medium10
pirenperone[no description available]medium10aromatic ketone
praziquantel[no description available]medium10isoquinolines
primidone[no description available]medium10pyrimidoneanticonvulsant;
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]medium10oxopurine
propofol[no description available]medium20phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
pf 5901[no description available]medium10quinolines
riluzole[no description available]medium10benzothiazoles
risperidone[no description available]medium301,2-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]medium10organofluorine 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]medium10pyrrolidin-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]medium10imidazoles;
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]medium10imidazolidines
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]medium20benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
t0156[no description available]medium10naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene[no description available]medium10
terfenadine[no description available]medium10diarylmethane
tetraisopropylpyrophosphamide[no description available]medium10phosphoramide
thalidomide[no description available]medium20phthalimides;
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]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium30N-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]medium10pyrazolopyridine
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]medium10alkylbenzenegeroprotector
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]medium10
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole[no description available]medium10aromatic 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]medium1011beta-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]medium10alkaloid 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]medium10catechols
histamine dihydrochloride[no description available]medium10
carbachol[no description available]medium20ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
spironolactone[no description available]medium103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
estrone[no description available]medium1017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
androsterone[no description available]medium1017-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]medium10hydrochloride
pilocarpine hydrochloride[no description available]medium10hydrochloride
dimethylphenylpiperazinium iodide[no description available]medium10N-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]medium10
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride[no description available]medium10
hexamethonium bromide[no description available]medium10
cystamine dihydrochloride[no description available]medium10
cantharidin[no description available]medium10cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
tetraethylammonium chloride[no description available]medium10organic chloride salt;
quaternary ammonium salt		potassium channel blocker
aspartic acid[no description available]medium30aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
glutamine[no description available]medium20amino 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]medium20acetate 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]medium50carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
apomorphine[no description available]medium30aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
promethazine hydrochloride[no description available]medium10hydrochlorideanti-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]medium20amino 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]medium10dimethoxybenzene
papaverine hydrochloride[no description available]medium10
bretylium tosylate[no description available]medium10organosulfonate 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]medium10quaternary ammonium salt
androstenedione[no description available]medium1017-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]medium10
gallamine triethiodide[no description available]medium10
cycloheximide[no description available]medium30antibiotic 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]medium204-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]medium1017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin
quinacrine monohydrochloride[no description available]medium10
chlorpromazine hydrochloride[no description available]medium10hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug
cytarabine hydrochloride[no description available]medium10
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]medium10hydrochlorideanti-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]medium10organic 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]medium10hydrochlorideantidepressant
neostigmine bromide[no description available]medium30bromide salt
edrophonium chloride[no description available]medium10chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium[no description available]medium10organic 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]medium10anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
methapyrilene hydrochloride[no description available]medium10hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
tetrracaine hydrochloride[no description available]medium10benzoate ester
chelidamic acid[no description available]medium10
2-chloroadenosine[no description available]medium10purine nucleoside
diphenhydramine hydrochloride[no description available]medium10hydrochloride;
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]medium10xanthenes
hydralazine hydrochloride[no description available]medium10hydrochlorideantihypertensive agent;
vasodilator agent
ethamivan[no description available]medium10methoxybenzenes;
phenols
pargyline hydrochloride[no description available]medium10
aminophylline[no description available]medium10mixturebronchodilator agent;
cardiotonic drug
azacitidine[no description available]medium20N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
orphenadrine hydrochloride[no description available]medium10hydrochlorideantiparkinson 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]medium10
cyproterone acetate[no description available]medium1020-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]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
tetrahydrozoline hydrochloride[no description available]medium10hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
dequalinium chloride[no description available]medium30organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide[no description available]medium10
amitriptyline hydrochloride[no description available]medium10organic tricyclic compound
naphazoline hydrochloride[no description available]medium10organic molecular entity
doxylamine succinate[no description available]medium10organic molecular entity
carbamylhydrazine monohydrochloride[no description available]medium10organic molecular entity
formestane[no description available]medium1017-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]medium10carbamate 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]medium10monoterpenoid
vinblastine[no description available]medium30
cyproheptadine hydrochloride (anhydrous)[no description available]medium10hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol[no description available]medium10androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite
pimozide[no description available]medium10benzimidazoles;
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]medium10
doxifluridine[no description available]medium30organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
meclofenoxate hydrochloride[no description available]medium10
clonidine hydrochloride[no description available]medium10dichlorobenzene
beclomethasone[no description available]medium1011beta-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]medium10diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
mexiletine hydrochloride[no description available]medium10hydrochlorideanti-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]medium10hydrochlorideantidepressant;
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]medium10
metoclopramide hydrochloride[no description available]medium10
isoetharine mesylate[no description available]medium10
zalcitabine[no description available]medium30pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride[no description available]medium10
camptothecin[no description available]medium10delta-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]medium10hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide[no description available]medium10bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist
tetradecanoylphorbol acetate[no description available]medium10acetate 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]medium1017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
metergoline[no description available]medium10carbamate 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]medium10organoammonium 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]medium10hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
etoposide[no description available]medium30beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
propafenone hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug
etazolate hydrochloride[no description available]medium10
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]medium10catechols;
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]medium30beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
methyldopa[no description available]medium30L-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]medium10acetate saltanti-arrhythmia drug
nicardipine hydrochloride[no description available]medium10dihydropyridinegeroprotector
idarubicin[no description available]medium20anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
captopril[no description available]medium50alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous[no description available]medium10
pergolide mesylate[no description available]medium10methanesulfonate 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]medium20aromatic ketone
atomoxetine[no description available]medium30aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
raloxifene hydrochloride[no description available]medium10hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
mifepristone[no description available]medium103-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]medium10
aptiganel hydrochloride[no description available]medium10
adenosine[no description available]medium10adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
phenelzine sulfate[no description available]medium10organic molecular entity
fluoxetine hydrochloride[no description available]medium10hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride[no description available]medium10hydrochloride
bupropion hydrochloride[no description available]medium10aromatic ketone
diltiazem hydrochloride[no description available]medium10hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent
trazodone hydrochloride[no description available]medium10hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
verapamil hydrochloride[no description available]medium10
doxazosin mesylate[no description available]medium10methanesulfonate saltgeroprotector
amantadine hydrochloride[no description available]medium10hydrochlorideantiviral 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]medium10
dobutamine hydrochloride[no description available]medium10hydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
desipramine hydrochloride[no description available]medium10hydrochloridedrug allergen
dopamine hydrochloride[no description available]medium10catecholamine
proadifen hydrochloride[no description available]medium10
4-nitrobenzylthioinosine[no description available]medium10purine nucleoside
metrifudil[no description available]medium10
rutecarpine[no description available]medium10beta-carbolines
trihexyphenidyl hydrochloride[no description available]medium10aralkylamine
thioridazine hydrochloride[no description available]medium10hydrochloridefirst generation antipsychotic;
geroprotector
procainamide hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug
siquil[no description available]medium10hydrochlorideanticoronaviral agent
sotalol hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug;
beta-adrenergic antagonist
oxymetazoline hydrochloride[no description available]medium10hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
alprenolol hydrochloride[no description available]medium10hydrochloride
2-methoxyestradiol[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
fluphenazine hydrochloride[no description available]medium10phenothiazinesanticoronaviral agent
tryptamine monohydrochloride[no description available]medium10
clomipramine hydrochloride[no description available]medium10hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug
amiloride hydrochloride[no description available]medium10hydratediuretic;
sodium channel blocker
prazosin hydrochloride[no description available]medium10hydrochloride
mianserin hydrochloride[no description available]medium10hydrochloridegeroprotector
lomefloxacin hydrochloride[no description available]medium10hydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent
fenspiride hydrochloride[no description available]medium10
nilverm[no description available]medium10organic molecular entity
sanguinarine chloride[no description available]medium10
ropinirole hydrochloride[no description available]medium10indoles
plasmenylserine[no description available]medium30O-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]medium10methanesulfonate saltnon-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent
ranolazine hydrochloride[no description available]medium10
loxapine succinate[no description available]medium10succinate saltgeroprotector
guanfacine hydrochloride[no description available]medium10acetamidesgeroprotector
pirenzepine dihydrochloride[no description available]medium10hydrochloride
labetalol hydrochloride[no description available]medium10salicylamides
acecainide hydrochloride[no description available]medium10
loperamide hydrochloride[no description available]medium10hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
maprotiline hydrochloride[no description available]medium10anthracenes
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]medium10
tosyllysine chloromethyl ketone[no description available]medium10
5-(n-methyl-n-isobutyl)amiloride[no description available]medium10
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride[no description available]medium10hydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride[no description available]medium10hydrochlorideanxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
pyrrolidine dithiocarbamic acid[no description available]medium10
agroclavine[no description available]medium10ergot alkaloid
s-methylisothiourea sulfate[no description available]medium10
p-Aminobenzamidine dihydrochloride[no description available]medium10organic 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]medium10carbonyl compound
phentolamine mesylate[no description available]medium10
mephentermine[no description available]medium102-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite
oxybutynin hydrochloride[no description available]medium10hydrochloride
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]medium10hydrochloridelocal 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]medium103-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]medium10
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]medium10
n(6)-phenyladenosine[no description available]medium10purine nucleoside
tetrahydrodeoxycorticosterone[no description available]medium1021-hydroxy steroid
n-methyladenosine[no description available]medium10methyladenosine
mizoribine[no description available]medium10imidazolesanticoronaviral 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]medium10corticosteroid 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]medium10
vanoxerine[no description available]medium10hydrochloridedopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate[no description available]medium10beta-carbolines
u 69593[no description available]medium10monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound		anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist
cv 3988[no description available]medium10
beta-carboline-3-carboxylic acid methyl ester[no description available]medium10beta-carbolines
methoctramine[no description available]medium10hydrochloridemuscarinic 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]medium10hydrochlorideantihypertensive agent;
beta-adrenergic antagonist
catechin[no description available]medium10hydrategeroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine[no description available]medium10hydrobromideserotonergic 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]medium10germacranolide
3',4'-dichlorobenzamil[no description available]medium30guanidines;
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]medium10indolyl carboxylate ester;
piperidines;
sulfonamide		serotonergic antagonist
gallopamil hydrochloride[no description available]medium10
gamma-glutamylaminomethylsulfonic acid[no description available]medium10
buthionine sulfoximine[no description available]medium102-amino-4-(S-butylsulfonimidoyl)butanoic acidEC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
sb 204070a[no description available]medium10
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine[no description available]medium10(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline		geroprotector;
serotonergic agonist
l 655240[no description available]medium10methylindole
san 58035[no description available]medium10
nnc 711[no description available]medium10
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide[no description available]medium10diarylmethane
e 64[no description available]medium10dicarboxylic 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]medium10morpholines
methotrexate[no description available]medium30dicarboxylic 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]medium10
sr 2640[no description available]medium10quinolines
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]medium10phenylindole
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]medium10
l 741626[no description available]medium10piperidines
nisoxetine hydrochloride[no description available]medium10
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]medium10
imidazole-4-acetic acid hydrochloride[no description available]medium10
nsc-141549[no description available]medium10
2-chloro-2-deoxyglucose[no description available]medium10
idazoxan hydrochloride[no description available]medium10
isoguvacine hydrochloride[no description available]medium10
8-methoxymethyl-3-isobutyl-1-methylxanthine[no description available]medium10oxopurine
cyc 202[no description available]medium102,6-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]medium10
aminopterin[no description available]medium10dicarboxylic 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]medium10
sk&f 75670[no description available]medium10
esatenolol[no description available]medium10atenololbeta-adrenergic antagonist
nbi 27914[no description available]medium10dialkylarylamine;
tertiary amino compound
sb 216763[no description available]medium10indoles;
maleimides
(R)-atenolol[no description available]medium10atenolol
memantine hydrochloride[no description available]medium10hydrochlorideantidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
pefabloc[no description available]medium10
pongidae[no description available]medium10
succinylproline[no description available]medium10N-acyl-amino acid
sb 205384[no description available]medium10thienopyridine
hydrastine[no description available]medium10isoquinolinesmetabolite
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]medium1011-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]medium10organic sulfate saltantineoplastic agent;
geroprotector
n-methylserotonin oxalate salt[no description available]medium10
nsc 95397[no description available]medium101,4-naphthoquinones
wortmannin[no description available]medium10acetate 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]medium1011alpha-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]medium10alpha-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]medium10deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
amiodarone hydrochloride[no description available]medium10aromatic ketone
dicyclomine hydrochloride[no description available]medium10hydrochlorideantispasmodic 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]medium10organic 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]medium10organic molecular entity
sb 228357[no description available]medium10indolyl carboxylic acid
3,5-dihydroxyphenylglycine[no description available]medium10amino acid zwitterion;
non-proteinogenic L-alpha-amino acid;
resorcinols
actinonin[no description available]medium10
vinpocetine[no description available]medium10alkaloidgeroprotector
dihydroergocristine monomesylate[no description available]medium10methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent
tretinoin[no description available]medium10retinoic 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]medium10resveratrolantioxidant;
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]medium10butyrate 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]medium10carbotetracyclic 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]medium10adenosines;
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]medium10chalconesantineoplastic 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]medium10benzamides
calmidazolium[no description available]medium10organic chloride saltapoptosis inducer;
calmodulin antagonist
tropisetron hydrochloride[no description available]medium10
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]medium10
ipratropium bromide anhydrous[no description available]medium10
methamilane methiodide[no description available]medium10
pilocarpine nitrate[no description available]medium10
r 59949[no description available]medium10diarylmethane
n(6)-cyclopentyladenosine[no description available]medium10
methylatropine nitrate[no description available]medium10
sb 366791[no description available]medium10
ag-213[no description available]medium10
3,3',4,5'-tetrahydroxystilbene[no description available]medium10catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
bemesetron[no description available]medium10
(S)-(-)-pindolol[no description available]medium10pindolol
levosulpiride[no description available]medium10sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
caffeic acid[no description available]medium10caffeic acidgeroprotector;
mouse metabolite
4-fluorophenyl-L-alanine[no description available]medium104-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid
urocanic acid[no description available]medium10urocanic acidhuman metabolite
cotinine[no description available]medium30N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
cinnarizine[no description available]medium10diarylmethane;
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]medium10hydrochloride
tacrine hydrochloride[no description available]medium10
4-bromotetramisole, oxalate (1:1), salt(s)-isomer[no description available]medium10
3-hydroxybenzylhydrazine hydrochloride[no description available]medium10
1-(3-chlorophenyl)biguanide hydrochloride[no description available]medium10
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer[no description available]medium10
capsazepine[no description available]medium10benzazepine;
catechols;
monochlorobenzenes;
thioureas		capsaicin receptor antagonist
diphenyleneiodium chloride[no description available]medium10organic 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]medium10citrate saltangiogenesis inhibitor;
anticoronaviral agent
pimagedine hydrochloride[no description available]medium10
Betaine Aldehyde Chloride[no description available]medium10quaternary ammonium salt
eskazine[no description available]medium10
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]medium10aryl 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]medium10iodide 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]medium10
bp 897[no description available]medium10naphthalenecarboxamide
trequinsin hydrochloride[no description available]medium10
neboglamine[no description available]medium10
benzatropine methanesulfonate[no description available]medium10
sb 203186[no description available]medium10indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea[no description available]medium101,2-thiazoles;
indoles;
ureas		receptor modulator;
serotonergic antagonist
gw 7647[no description available]medium10aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist
ro 41-0960[no description available]medium10
cgp 13501[no description available]medium10alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide[no description available]medium10
brl 15572[no description available]medium10monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol		geroprotector;
serotonergic antagonist
mrs 1523[no description available]medium10
or486[no description available]medium10
fg 9041[no description available]medium10quinoxaline derivative
iik7[no description available]medium10
sb 415286[no description available]medium10C-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]medium10
jhw 015[no description available]medium10indolecarboxamide
bw 723c86[no description available]medium10tryptamines
sc 560[no description available]medium10aromatic 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]medium10indoles
ly 367265[no description available]medium10dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline		antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor
diclofenac sodium[no description available]medium10organic sodium salt
cgp 7930[no description available]medium10alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole[no description available]medium10phenols;
pyrazoles		estrogen receptor agonist
sib 1757[no description available]medium10
sphingosine[no description available]medium10sphing-4-eninehuman metabolite;
mouse metabolite
apigenin[no description available]medium10trihydroxyflavoneantineoplastic 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]medium10hydroxycoumarin
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]medium10maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
brompheniramine maleate[no description available]medium10maleate saltanti-allergic agent
chlorpheniramine maleate[no description available]medium10organic molecular entity
clemastine fumarate[no description available]medium10fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
methylergonovine maleate[no description available]medium10ergoline alkaloidgeroprotector
astaxanthine[no description available]medium10carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
harman[no description available]medium10harmala 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]medium107-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]medium10alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
rottlerin[no description available]medium10aromatic 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]medium10catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide		TRPV1 agonist
pheniramine maleate[no description available]medium10organic molecular entity
tranilast[no description available]medium10amidobenzoic 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]medium10maleate saltantidepressant
isotretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
xylometazoline hydrochloride[no description available]medium10
flunarizine hydrochloride[no description available]medium10diarylmethane
ketotifen fumarate[no description available]medium10organoammonium saltanti-asthmatic drug;
H1-receptor antagonist
cis-flupenthixol dihydrochloride[no description available]medium10hydrochloridegeroprotector
n-arachidonylglycine[no description available]medium10fatty amide;
N-acylglycine
n-oleoylethanolamine[no description available]medium10endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
cyclosporine[no description available]medium30homodetic 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]medium10organic molecular entity
phenylephrine hydrochloride[no description available]medium10hydrochloride
mepyramine maleate[no description available]medium10
brefeldin a[no description available]medium10macrolide antibioticPenicillium metabolite
fenretinide[no description available]medium10monocarboxylic 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]medium10benzoic 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]medium10
ro 41-1049[no description available]medium10
sb 200646a[no description available]medium10
seglitide[no description available]medium10
sib 1893[no description available]medium10
su 6656[no description available]medium10
tyrphostin ag 555[no description available]medium10
tyrphostin ag-494[no description available]medium10
tyrphostin b44[no description available]medium10
ag-490[no description available]medium10catechols;
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]medium10
ag 183[no description available]medium10
semaxinib[no description available]medium10olefinic 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]medium10monochlorobenzenes;
trimethylxanthine		adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085[no description available]medium10benzenes;
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]medium10ethyl 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]medium10
nalbuphine hydrochloride[no description available]medium10hydrochloride
isoalloxazine[no description available]medium10benzo[g]pteridine-2,4-dione
vinblastine sulfate[no description available]medium10
n-methylscopolamine bromide[no description available]medium10
dextromethorphan hydrobromide[no description available]medium10hydrate;
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]medium10sesquiterpenoid
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]medium10hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
guanabenz acetate[no description available]medium10dichlorobenzenegeroprotector
nylidrin hydrochloride[no description available]medium10alkylbenzene
triprolidine hydrochloride anhydrous[no description available]medium10hydrochlorideH1-receptor antagonist
famotidine[no description available]medium201,3-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]medium10benzamides
quipazine maleate[no description available]medium10
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride[no description available]medium10
tulobuterol hydrochloride[no description available]medium10organic molecular entity
hp 029[no description available]medium10
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]medium10naphthalenes
nf023[no description available]medium10
nf 449[no description available]medium10
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine[no description available]medium10
gr 46611[no description available]medium10
diacetylmonoxime[no description available]medium10
homatropine hydrobromide, (endo-(+-)-isomer)[no description available]medium10
vancomycin hydrochloride[no description available]medium10
moxisylyte hydrochloride[no description available]medium10monoterpenoid
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]medium10
zimelidine hydrochloride[no description available]medium10
pregna-4,17-diene-3,16-dione, (17z)-isomer[no description available]medium10
su 4312[no description available]medium10
gw 1929[no description available]medium10benzophenones
protriptyline hydrochloride[no description available]medium10hydrochlorideantidepressant
n(4)-chloroacetylcytosine arabinoside[no description available]medium10
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide[no description available]medium10
n-(4-amino-2-chlorophenyl)phthalimide[no description available]medium10
cb 34[no description available]medium10
b 43[no description available]medium10aromatic 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]medium10diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide[no description available]medium10
gw2974[no description available]medium10pyridopyrimidine
l 162313[no description available]medium10
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]medium10quinolines
dantrolene sodium[no description available]medium10
cr 2945[no description available]medium10
sb 218795[no description available]medium10quinolines
dihydroceramide[no description available]medium10N-acylsphinganine
epinephrine bitartrate[no description available]medium10
bicuculline methobromide[no description available]medium10
butylscopolammonium bromide[no description available]medium10
butaclamol hydrochloride[no description available]medium10
a 38503[no description available]medium10
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]medium10purine nucleoside
fluvoxamine maleate[no description available]medium10(trifluoromethyl)benzenes
naloxone benzoylhydrazone[no description available]medium10
2-methyl-6-(phenylethynyl)pyridine hydrochloride[no description available]medium10hydrochlorideanxiolytic drug;
metabotropic glutamate receptor antagonist
amiprilose[no description available]medium10
(R)-fluoxetine hydrochloride[no description available]medium10hydrochlorideantidepressant;
serotonin uptake inhibitor
desmethylselegiline hydrochloride[no description available]medium10
3-morpholino-sydnonimine monohydrochloride[no description available]medium10
t 1032[no description available]medium10
qx-314 bromide[no description available]medium10
(S)-fluoxetine hydrochloride[no description available]medium10hydrochlorideantidepressant;
serotonin uptake inhibitor
sr 59230a[no description available]medium10
u 74389g[no description available]medium10
1-(2-methoxyphenyl)piperazine hydrochloride[no description available]medium10
y 27632, dihydrochloride, (4(r)-trans)-isomer[no description available]medium10
noscapine hydrochloride[no description available]medium10
a 77636[no description available]medium10hydrochlorideantiparkinson drug;
dopamine agonist
cgp 20712a[no description available]medium10
levodopa methyl ester hydrochloride[no description available]medium10
benalfocin hydrochloride[no description available]medium10
lu 19005[no description available]medium10
benoxathian hydrochloride[no description available]medium10
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer[no description available]medium10
n-cyclopropyl adenosine-5'-carboxamide[no description available]medium10
cefotaxime sodium[no description available]medium10organic sodium salt
calpain inhibitor iii[no description available]medium10
GR 127935 hydrochloride[no description available]medium10hydrochlorideserotonergic antagonist
mrs 1845[no description available]medium10
1-aminocyclopropane-1-carboxylic acid hydrochloride[no description available]medium10
alaproclate hydrochloride[no description available]medium10
ubenimex[no description available]medium10peptide
3-chloroalanine hydrochloride, (l-ala)-isomer[no description available]medium10
dsp 4 hydrochloride[no description available]medium10
calcimycin[no description available]medium10benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride[no description available]medium10hydrochloridealpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride[no description available]medium10
cirazoline monohydrochloride[no description available]medium10
adtn[no description available]medium10
apocodeine hydrochloride, (r)-isomer[no description available]medium10
Dihydro-beta-erythroidine hydrobromide[no description available]medium10indoles
lilly 78335[no description available]medium10
efaroxan hydrochloride[no description available]medium10
fenoldopam hydrobromide[no description available]medium10
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride[no description available]medium10hydrochloridedopamine uptake inhibitor
guvacine hydrochloride[no description available]medium10
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide[no description available]medium10
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,[no description available]medium10organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one[no description available]medium10hydrochloridereceptor modulator;
serotonergic antagonist
4-iodoclonidine[no description available]medium10
4-methylpyrazole monohydrochloride[no description available]medium10
tele-methylhistamine[no description available]medium10
alpha-methyltyrosine methyl ester, monohydrochloride[no description available]medium10
octoclothepine maleate[no description available]medium10
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride[no description available]medium10
du 24565[no description available]medium10
2-methoxyidazoxan hydrochloride[no description available]medium10
ro 25-6981[no description available]medium10
sk&f 77434[no description available]medium10hydrobromidedopamine 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]medium10organic heterotetracyclic compound;
organonitrogen heterocyclic compound
demethylcantharidin[no description available]medium10
atropine sulfate[no description available]medium10
1-deoxynojirimycin hydrochloride[no description available]medium10
win 62577[no description available]medium10
quinine sulfate[no description available]medium10hydrate
quercetin[no description available]medium10
rv 538, (r-(r*,r*))-isomer[no description available]medium10
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer[no description available]medium10
valproate sodium[no description available]medium10organic sodium saltgeroprotector
u 63557a[no description available]medium10
taurocholic acid, monosodium salt[no description available]medium10bile salt
cefmetazole sodium[no description available]medium10organic sodium saltantimicrobial agent
fusidate sodium[no description available]medium10
cephapirin sodium[no description available]medium10cephalosporin;
organic sodium salt		antibacterial drug
sodium cephalothin[no description available]medium10organic sodium salt
cefazolin sodium[no description available]medium10organic 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]medium10organic molecular entity
piroxicam[no description available]medium10benzothiazine;
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]medium102-pyranones;
catechols		antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite
minocycline hydrochloride[no description available]medium10
demeclocycline hydrochloride[no description available]medium10
acyclovir[no description available]medium302-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]medium302-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
zaprinast[no description available]medium10triazolopyrimidines
allopurinol[no description available]medium30nucleobase 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]medium10organic sodium saltmuscle relaxant;
protein kinase G agonist
ag-879[no description available]medium10
1-(3-chlorophenyl)piperazine[no description available]medium10monochlorobenzenes;
N-arylpiperazine		drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
tacrine[no description available]medium20acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol[no description available]medium20aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen[no description available]medium20acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
alfuzosin[no description available]medium10monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
alosetron[no description available]medium10imidazoles;
pyridoindole		antiemetic;
gastrointestinal drug;
serotonergic antagonist
alprazolam[no description available]medium20organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
alprenolol[no description available]medium30secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
amantadine[no description available]medium20adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
diatrizoic acid[no description available]medium10acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
amiodarone[no description available]medium201-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amitriptyline[no description available]medium20carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amlodipine[no description available]medium20dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
amsacrine[no description available]medium10acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
antipyrine[no description available]medium20pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
azelastine[no description available]medium10monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
betaxolol[no description available]medium20propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bevantolol[no description available]medium10propanolamineanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
calcium channel blocker
biperiden[no description available]medium20piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bisoprolol[no description available]medium20secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bromazepam[no description available]medium20organic molecular entity
bromopride[no description available]medium10benzamides
brotizolam[no description available]medium10organic molecular entity
buflomedil[no description available]medium20aromatic ketone
bunazosin[no description available]medium10quinazolines
bupivacaine[no description available]medium20aromatic amide;
piperidinecarboxamide;
tertiary amino compound
busulfan[no description available]medium20methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
verapamil[no description available]medium40aromatic ether;
nitrile;
polyether;
tertiary amino compound
metrizoate[no description available]medium10monocarboxylic acidradioopaque medium
carvedilol[no description available]medium20carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
chlordiazepoxide[no description available]medium20benzodiazepine
chloroquine[no description available]medium40aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorpheniramine[no description available]medium20monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine[no description available]medium20organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorthalidone[no description available]medium20isoindoles;
monochlorobenzenes;
sulfonamide
cifenline[no description available]medium20diarylmethane
ciprofloxacin[no description available]medium20aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
citalopram[no description available]medium202-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clomipramine[no description available]medium10dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clonazepam[no description available]medium301,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator
clonidine[no description available]medium10clonidine;
imidazoline
chlorazepate[no description available]medium101,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
dapsone[no description available]medium20substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
desipramine[no description available]medium40dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
nordazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
amphetamine[no description available]medium10primary amine
diazepam[no description available]medium401,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazepam[no description available]medium411,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diclofenac[no description available]medium20amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
diflunisal[no description available]medium10monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
diphenhydramine[no description available]medium10ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
valproic acid[no description available]medium40branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
doxapram[no description available]medium20morpholines;
pyrrolidin-2-ones		central nervous system stimulant
doxazosin[no description available]medium10aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
doxepin[no description available]medium10dibenzooxepine;
tertiary amino compound		antidepressant
dyphylline[no description available]medium20oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
enoxacin[no description available]medium101,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
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
etilefrine[no description available]medium20phenols
berotek[no description available]medium10resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
fenspiride[no description available]medium20azaspiro compound
fentanyl[no description available]medium10anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
flecainide[no description available]medium20aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fleroxacin[no description available]medium20difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
fluconazole[no description available]medium20conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flucytosine[no description available]medium20aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flunitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative
fluorescite[no description available]medium10benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
foscarnet[no description available]medium20carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
glimepiride[no description available]medium20sulfonamide
granisetron[no description available]medium20aromatic amide;
indazoles
guanfacine[no description available]medium20acetamides
hexobarbital[no description available]medium10barbiturates
hydralazine[no description available]medium10azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydroflumethiazide[no description available]medium20benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
hydroxychloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
hypericin[no description available]medium10
lidocaine[no description available]medium10benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
ifosfamide[no description available]medium20ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone[no description available]medium10bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
iohexol[no description available]medium10benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
iopromide[no description available]medium10dicarboxylic acid diamide;
organoiodine compound		environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic
iothalamic acid[no description available]medium10organic molecular entity
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isoniazid[no description available]medium10carbohydrazideantitubercular agent;
drug allergen
isoproterenol[no description available]medium10catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
isradipine[no description available]medium10benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium20piperazines
ketamine[no description available]medium10cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketanserin[no description available]medium20aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
ketorolac[no description available]medium20amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
labetalol[no description available]medium10benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
letrozole[no description available]medium20nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lorazepam[no description available]medium20benzodiazepine
losartan[no description available]medium20biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
maprotiline[no description available]medium10anthracenes
mebendazole[no description available]medium20aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
meperidine[no description available]medium10ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mepivacaine[no description available]medium10piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium10organic molecular entity
mesalamine[no description available]medium10amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
metformin[no description available]medium20guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methadone[no description available]medium20benzenes;
diarylmethane;
ketone;
tertiary amino compound
methapyrilene[no description available]medium10ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
methylphenidate[no description available]medium20beta-amino acid ester;
methyl ester;
piperidines
metoclopramide[no description available]medium20benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metoprolol[no description available]medium30aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]medium20C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
mexiletine[no description available]medium10aromatic ether;
primary amino compound		anti-arrhythmia drug
midazolam[no description available]medium20imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
mirtazapine[no description available]medium20benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
moclobemide[no description available]medium40benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
acecainide[no description available]medium10acetamides;
benzamides		anti-arrhythmia drug
naratriptan[no description available]medium20heteroarylpiperidine;
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
nefazodone[no description available]medium20aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nefopam[no description available]medium10benzoxazocine;
tertiary amino compound
nevirapine[no description available]medium20cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nicardipine[no description available]medium20benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nisoldipine[no description available]medium20C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitrazepam[no description available]medium201,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nizatidine[no description available]medium201,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
nomifensine[no description available]medium20isoquinolinesdopamine uptake inhibitor
nortriptyline[no description available]medium20organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
omeprazole[no description available]medium20aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetron[no description available]medium20carbazoles
oxazepam[no description available]medium201,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxybutynin[no description available]medium10acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
pamidronate[no description available]medium10phosphonoacetic acid
pantoprazole[no description available]medium20aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
papaverine[no description available]medium20benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
pentobarbital[no description available]medium10barbituratesGABAA receptor agonist
phenacetin[no description available]medium10acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenobarbital[no description available]medium30barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
moxonidine[no description available]medium20organohalogen compound;
pyrimidines
pimobendan[no description available]medium10benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
piretanide[no description available]medium10aromatic ether
prazosin[no description available]medium20aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
prilocaine[no description available]medium10amino acid amide;
monocarboxylic acid amide		anticonvulsant;
local anaesthetic
primaquine[no description available]medium10aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
probenecid[no description available]medium20benzoic acids;
sulfonamide		uricosuric drug
procainamide[no description available]medium20benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
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
procyclidine[no description available]medium20pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
promazine[no description available]medium10phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propafenone[no description available]medium30aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
propranolol[no description available]medium20naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
pyridostigmine[no description available]medium20pyridinium ion
pyrimethamine[no description available]medium30aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rabeprazole[no description available]medium20benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
ranitidine[no description available]medium20aralkylamine
rizatriptan[no description available]medium10tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
sulfadiazine[no description available]medium20pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
risedronic acid[no description available]medium20pyridines
sotalol[no description available]medium20ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
vorinostat[no description available]medium10dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulfamethoxazole[no description available]medium20isoxazoles;
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
sulfinpyrazone[no description available]medium20pyrazolidines;
sulfoxide		uricosuric drug
sulfisoxazole[no description available]medium20isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
sumatriptan[no description available]medium20sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
suprofen[no description available]medium20aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
suramin[no description available]medium20naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis 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
gatifloxacin[no description available]medium20N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
temozolomide[no description available]medium10imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terazosin[no description available]medium20furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terbutaline[no description available]medium20phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
thiotepa[no description available]medium10aziridines
tinidazole[no description available]medium20imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tizanidine[no description available]medium20benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
ultram[no description available]medium20aromatic ether;
tertiary alcohol;
tertiary amino compound
tranexamic acid[no description available]medium10amino acid
trazodone[no description available]medium20monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triazolam[no description available]medium20triazolobenzodiazepinesedative
trimetrexate[no description available]medium10
trimipramine[no description available]medium10dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
urapidil[no description available]medium20piperazines
venlafaxine[no description available]medium20cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
viloxazine[no description available]medium10aromatic ether
zaleplon[no description available]medium20nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
zolpidem[no description available]medium20imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zopiclone[no description available]medium20monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
prednisolone[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
cephaloridine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
prednisone[no description available]medium2011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
chloramphenicol[no description available]medium20C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
ethinyl estradiol[no description available]medium1017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
cephalothin[no description available]medium10azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
methicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
ampicillin[no description available]medium20beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
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
phencyclidine[no description available]medium20benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
dichloroacetic acid[no description available]medium10monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite
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
penicillin v[no description available]medium20penicillin allergen;
penicillin
isosorbide dinitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
ergotamine[no description available]medium10peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
nafcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
methohexital[no description available]medium10acetylenic compound;
barbiturates		drug allergen;
intravenous anaesthetic
pirinitramide[no description available]medium10nitrile
edrophonium bromide[no description available]medium10
galantamine[no description available]medium10benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
dextropropoxyphene[no description available]medium101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
ketobemidone[no description available]medium10piperidines
chlormethiazole[no description available]medium10thiazoles
methamphetamine[no description available]medium20amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
lithium carbonate[no description available]medium10carbonate salt;
lithium salt		antimanic drug
erythromycin[no description available]medium20cyclic ketone;
erythromycin
levonorgestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
lormetazepam[no description available]medium201,4-benzodiazepinone;
organochlorine compound		sedative
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
vancomycin[no description available]medium20glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
metylperon[no description available]medium10aromatic ketone
spectinomycin[no description available]medium10cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
dronabinol[no description available]medium10benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
benperidol[no description available]medium10aromatic ketone
chlordesmethyldiazepam[no description available]medium10benzodiazepine
stavudine[no description available]medium10dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
dicloxacillin[no description available]medium20dichlorobenzene;
penicillin		antibacterial drug
streptomycin[no description available]medium10antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
cladribine[no description available]medium10organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
carbenicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
floxacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
beclomethasone dipropionate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester		anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug
olsalazine[no description available]medium20azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
terodiline[no description available]medium20diarylmethane
1-(4-carboxyphenyl)-3,3-dimethyltriazene[no description available]medium10
metocurine iodide[no description available]medium10aromatic ether
apazone[no description available]medium10benzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug
selegiline[no description available]medium30selegiline;
terminal acetylenic compound		geroprotector
cephalexin[no description available]medium20beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
isosorbide-5-mononitrate[no description available]medium20glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
cephapirin[no description available]medium10cephalosporinantibacterial drug
pregnanolone[no description available]medium103-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid		human metabolite;
intravenous anaesthetic;
sedative
du-21220[no description available]medium10benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
ribostamycin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic		antibacterial drug;
antimicrobial agent;
metabolite
cefazolin[no description available]medium20beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
amoxicillin[no description available]medium20penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium20timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
indoramin[no description available]medium10tryptamines
toloxatone[no description available]medium10oxazolidinone;
primary alcohol;
toluenes
sisomicin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic;
beta-L-arabinoside;
monosaccharide derivative
amdinocillin[no description available]medium10penicillinantibacterial drug;
antiinfective agent
tobramycin[no description available]medium10amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
ticarcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
trimazosin[no description available]medium10N-arylpiperazine
adinazolam[no description available]medium20triazolobenzodiazepineanticonvulsant;
antidepressant;
anxiolytic drug;
sedative
amikacin[no description available]medium10alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
tolamolol[no description available]medium10
tocainide[no description available]medium20monocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker
sulbenicillin[no description available]medium10penicillin
sq-11725[no description available]medium20
diltiazem[no description available]medium405-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
vecuronium bromide[no description available]medium10organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent;
nicotinic antagonist
meptazinol[no description available]medium10azepanes
sufentanil[no description available]medium20anilide;
ether;
piperidines;
thiophenes		anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
torsemide[no description available]medium20aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
medroxalol[no description available]medium10salicylamides
epirubicin[no description available]medium10aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
cefmetazole[no description available]medium10cephalosporinantibacterial drug
lorcainide[no description available]medium20acetamides
ceforanide[no description available]medium10cephalosporinantibacterial drug
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
paroxetine[no description available]medium10aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
cefoperazone[no description available]medium10cephalosporinantibacterial drug
atracurium[no description available]medium10diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
moxalactam[no description available]medium10cephalosporin;
oxacephem		antibacterial drug
endralazine[no description available]medium10benzamides
cefadroxil anhydrous[no description available]medium20cephalosporinantibacterial drug
encainide[no description available]medium20benzamides;
piperidines		anti-arrhythmia drug;
sodium channel blocker
pefloxacin[no description available]medium20fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
alfentanil[no description available]medium20monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
cefotetan[no description available]medium10
recainam[no description available]medium20
lovastatin[no description available]medium20delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
flupirtine[no description available]medium20aminopyridine
idazoxan[no description available]medium20benzodioxine;
imidazolines		alpha-adrenergic antagonist
remoxipride[no description available]medium20dimethoxybenzene
pravastatin[no description available]medium203-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
bambuterol[no description available]medium10carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
trospectomycin[no description available]medium10dioxanes
finasteride[no description available]medium203-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
sematilide[no description available]medium20
esmolol[no description available]medium10aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
clinafloxacin[no description available]medium20quinolines
adefovir[no description available]medium206-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
loxiglumide[no description available]medium20organic molecular entity
sparfloxacin[no description available]medium20fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
cidofovir anhydrous[no description available]medium20phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
tiagabine[no description available]medium20beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
mibefradil[no description available]medium10tetralinsT-type calcium channel blocker
topotecan[no description available]medium10pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
bromfenac[no description available]medium20aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gemcitabine[no description available]medium10organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
ibutilide[no description available]medium10benzenes;
organic amino compound
aripiprazole[no description available]medium10aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
remifentanil[no description available]medium10alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester		intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative
lamivudine[no description available]medium20monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
irinotecan[no description available]medium10carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
valsartan[no description available]medium20biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
ibandronic acid[no description available]medium10
ziprasidone[no description available]medium201,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
zanamivir[no description available]medium20guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
zolmitriptan[no description available]medium20oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
tirofiban[no description available]medium10L-tyrosine derivative;
piperidines;
sulfonamide		anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
cisatracurium[no description available]medium10diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
fosinoprilat[no description available]medium10L-proline derivative;
phosphinic acids		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
trovafloxacin[no description available]medium20
cefprozil[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
iopamidol[no description available]medium10benzenedicarboxamide;
organoiodine compound;
pentol		environmental contaminant;
radioopaque medium;
xenobiotic
imipramine n-oxide[no description available]medium10dibenzooxazepine
dexloxiglumide[no description available]medium20glutamic acid derivative
intoplicine[no description available]medium10pyridoindole
repaglinide[no description available]medium20piperidines
telmisartan[no description available]medium20benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
dexfenfluramine[no description available]medium10fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
ethinyl estradiol-17-sulfate[no description available]medium10
ethinylestradiol-3-sulfate[no description available]medium1017beta-hydroxy steroid;
steroid sulfate		antineoplastic agent;
estrogen
cefcanel[no description available]medium20
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
epristeride[no description available]medium20steroid acid
talinolol[no description available]medium20ureas
denaverine[no description available]medium10diarylmethane
diprafenone[no description available]medium10aromatic compound
nebivolol[no description available]medium10chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
uk 68798[no description available]medium20aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
ljc 10627[no description available]medium10carbapenems;
organic sulfide;
pyrazolotriazole		antibacterial drug
dexrazoxane[no description available]medium10razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
voriconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
betamipron[no description available]medium10organonitrogen compound;
organooxygen compound
bufuralol[no description available]medium20benzofurans
panipenem[no description available]medium10organic molecular entity
perindoprilat[no description available]medium10dicarboxylic acid;
dipeptide;
L-alanine derivative;
organic heterobicyclic compound		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
7-hydroxystaurosporine[no description available]medium10
methotrimeprazine[no description available]medium20phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
9-aminocamptothecin[no description available]medium10pyranoindolizinoquinoline
sch 34343[no description available]medium10
squalamine[no description available]medium10bile acid
atovaquone[no description available]medium20hydroxy-1,2-naphthoquinone
rivastigmine[no description available]medium10carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
frovatriptan[no description available]medium20carbazoles
eletriptan[no description available]medium10indoles;
N-alkylpyrrolidine;
sulfone		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
rosiglitazone[no description available]medium20aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
clarithromycin[no description available]medium20macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
nicotine[no description available]medium503-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
mci 9038[no description available]medium10peptide
imipenem, anhydrous[no description available]medium20beta-lactam antibiotic allergen;
carbapenems;
zwitterion		antibacterial drug
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
asulacrine[no description available]medium10acridines
hydroxycotinine[no description available]medium10N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid
quinaprilat[no description available]medium20dicarboxylic acid;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent
2-hydroxyimipramine[no description available]medium10dibenzoazepine
ecteinascidin 743[no description available]medium10acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
almotriptan[no description available]medium10indoles;
sulfonamide;
tertiary amine		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
mk 0663[no description available]medium10bipyridines;
organochlorine compound;
sulfone		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
gefitinib[no description available]medium10aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
tamsulosin[no description available]medium205-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
sulbactam[no description available]medium10penicillanic acids
dilevalol[no description available]medium102-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
docetaxel[no description available]medium10hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent
irofulven[no description available]medium10cyclohexenones
ym 872[no description available]medium10
levofloxacin[no description available]medium209-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
ertapenem[no description available]medium10carbapenemcarboxylic acid;
pyrrolidinecarboxamide		antibacterial drug
dx 8951[no description available]medium10pyranoindolizinoquinoline
cilomilast[no description available]medium20methoxybenzenes
conivaptan[no description available]medium20benzazepineaquaretic;
vasopressin receptor antagonist
tezosentan[no description available]medium10
sabarubicin[no description available]medium10
moxifloxacin[no description available]medium20aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
clevidipine[no description available]medium10dihydropyridine
solifenacin[no description available]medium20isoquinolines
xamoterol[no description available]medium20morpholines
abanoquil[no description available]medium10
anidulafungin[no description available]medium10antibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative
atropine[no description available]medium20
ropivacaine[no description available]medium10piperidinecarboxamide;
ropivacaine		local anaesthetic
melagatran[no description available]medium20azetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
tesaglitazar[no description available]medium20
bms204352[no description available]medium10
fosfluconazole[no description available]medium10conazole antifungal drug;
triazole antifungal drug;
triazoles		prodrug
cp 101,606[no description available]medium10
nsc-89199[no description available]medium20carbamate ester;
organochlorine compound;
steroid phosphate
phenethicillin[no description available]medium10penicillin allergen;
penicillin
acivicin[no description available]medium10isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
quinidine[no description available]medium40cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
meropenem[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
cefoxitin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir[no description available]medium20L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
pancuronium[no description available]medium10acetate ester;
steroid ester		cholinergic antagonist;
muscle relaxant;
nicotinic antagonist
rocuronium[no description available]medium103alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent
abacavir[no description available]medium102,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
netilmicin[no description available]medium10
miglitol[no description available]medium20piperidines
linezolid[no description available]medium20acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
tolterodine[no description available]medium20tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
darifenacin[no description available]medium101-benzofurans;
monocarboxylic acid amide;
pyrrolidines		antispasmodic drug;
muscarinic antagonist
fluticasone propionate[no description available]medium1011beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester		adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug
acarbose[no description available]medium20amino cyclitol;
glycoside
tacrolimus[no description available]medium20macrolide lactambacterial metabolite;
immunosuppressive agent
cerivastatin[no description available]medium20dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
rosuvastatin[no description available]medium20dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
cocaine[no description available]medium10benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
clindamycin[no description available]medium20
fosfomycin[no description available]medium20epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax[no description available]medium20macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
bms 214662[no description available]medium10benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
eptifibatide[no description available]medium10homodetic cyclic peptide;
macrocycle;
organic disulfide		anticoagulant;
platelet aggregation inhibitor
gs 4071[no description available]medium20acetate ester;
amino acid;
cyclohexenecarboxylic acid;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
marine xenobiotic metabolite
decitabine[no description available]medium102'-deoxyribonucleoside
sm 8668[no description available]medium20
teniposide[no description available]medium10aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
troxacitabine[no description available]medium10carbohydrate derivative;
nucleobase-containing molecular entity
cefamandole[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
tiazofurin[no description available]medium101,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
sitafloxacin[no description available]medium20fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
dibekacin[no description available]medium10kanamycinsantibacterial agent;
protein synthesis inhibitor
micafungin[no description available]medium10antibiotic antifungal drug;
echinocandin		antiinfective agent
mezlocillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
tropisetron[no description available]medium10indolyl carboxylic acid
leuprolide[no description available]medium10oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
fludarabine[no description available]medium10purine nucleoside
propylthiouracil[no description available]medium20pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
etomidate[no description available]medium10ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
drotaverin[no description available]medium20isoquinolines
digoxin[no description available]medium20cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
cancidas[no description available]medium10
lincomycin[no description available]medium10carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
thiopental[no description available]medium10barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
hmr 3647[no description available]medium10
nelarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine[no description available]medium20aromatic ether
dolasetron[no description available]medium10indolyl carboxylic acid
or 1259[no description available]medium10hydrazone;
nitrile;
pyridazinone		anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent
gestodene[no description available]medium10steroidestrogen
quinine[no description available]medium20cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
isepamicin[no description available]medium10
ifetroban[no description available]medium10benzenes;
monocarboxylic acid
lamifiban[no description available]medium10N-acylglycine
telavancin[no description available]medium10glycopeptideantibacterial drug;
antimicrobial agent
sitagliptin[no description available]medium20triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
tolcapone[no description available]medium102-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
quercetin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
clavulanic acid[no description available]medium20oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
eprosartan[no description available]medium20dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
montelukast[no description available]medium20aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
mivacurium[no description available]medium10isoquinolines
entacapone[no description available]medium202-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
paricalcitol[no description available]medium20hydroxy seco-steroid;
seco-cholestane		antiparathyroid drug
sdz psc 833[no description available]medium10homodetic cyclic peptide
indocyanine green[no description available]medium101,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
codeine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
hydromorphone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic
nalmefene[no description available]medium10morphinane alkaloid
naloxone[no description available]medium30morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxycodone[no description available]medium10organic heteropentacyclic compound;
semisynthetic derivative		antitussive;
mu-opioid receptor agonist;
opioid analgesic
alvocidib[no description available]medium10dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
morphine[no description available]medium30morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
cicaprost[no description available]medium10monoterpenoid
dexmedetomidine[no description available]medium10medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
iloprost[no description available]medium10carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
nalbuphine[no description available]medium10organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
nateglinide[no description available]medium20phenylalanine derivative
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
romidepsin[no description available]medium10cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium20dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
naltrexone[no description available]medium10cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
morphine-6-glucuronide[no description available]medium10morphinane alkaloid
butorphanol[no description available]medium10morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
cefodizime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
EC 1.14.18.1 (tyrosinase) inhibitor
methylnaltrexone[no description available]medium10phenanthrenes
cefixime[no description available]medium20cephalosporinantibacterial drug;
drug allergen
lisinopril[no description available]medium20dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
indinavir sulfate[no description available]medium10dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
enalaprilat anhydrous[no description available]medium20dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefuroxime[no description available]medium203-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen
ceftriaxone[no description available]medium201,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime[no description available]medium20cephalosporin;
oxime O-ether		antibacterial drug
hr 810[no description available]medium10cephalosporin;
cyclopentapyridine
ceftazidime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cefetamet[no description available]medium20cephalosporin
cefotaxime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
aztreonam[no description available]medium20beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
ginkgolide b[no description available]medium20
palonosetron[no description available]medium10azabicycloalkane;
delta-lactam;
organic heterotricyclic compound		antiemetic;
serotonergic antagonist
cefatrizine[no description available]medium20amino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles		antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
eniporide[no description available]medium10
cilastatin[no description available]medium10carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
ixabepilone[no description available]medium101,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
azlocillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial drug
verlukast[no description available]medium10
ceftizoxime[no description available]medium10cephalosporinantibacterial drug
carumonam[no description available]medium10monobactamantibacterial drug
nitrofurantoin[no description available]medium10imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
eritoran[no description available]medium10lipid As
dantrolene[no description available]medium10
artesunate[no description available]medium10artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
dexniguldipine[no description available]medium10diarylmethane
napsagatran[no description available]medium10
temsirolimus[no description available]medium10macrolide lactam
bms188797[no description available]medium10
azimilide[no description available]medium10imidazolidine-2,4-dione
tomopenem[no description available]medium10
bb-83698[no description available]medium10
zotarolimus[no description available]medium10lactam;
macrolide
gentamicin sulfate[no description available]medium20
bn 52020[no description available]medium20
vindesine[no description available]medium10
bisaramil[no description available]medium10
teicoplanin[no description available]medium10
ly-146032[no description available]medium10heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide		antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
dalbavancin[no description available]medium10carbohydrate acid derivative;
glycopeptide;
monosaccharide derivative;
semisynthetic derivative		antibacterial drug;
antimicrobial agent
cetrorelix[no description available]medium10oligopeptideantineoplastic agent;
GnRH antagonist
tetracycline[no description available]medium20
chlortetracycline[no description available]medium10
oxytetracycline, anhydrous[no description available]medium10
minocycline[no description available]medium20
roquinimex[no description available]medium20aromatic amide
mobic[no description available]medium201,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
mobiflex[no description available]medium20heteroaryl 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
isoxicam[no description available]medium20benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug
warfarin[no description available]medium20benzenes;
hydroxycoumarin;
methyl ketone
demeclocycline[no description available]medium10
rolitetracycline[no description available]medium10
tigecycline[no description available]medium10
rifampin[no description available]medium20cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
dacarbazine[no description available]medium10dacarbazine
didanosine[no description available]medium20purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
sildenafil[no description available]medium20piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
penciclovir[no description available]medium202-aminopurines;
propane-1,3-diols		antiviral drug
vardenafil[no description available]medium20imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine		EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
leucovorin[no description available]medium20formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
tegaserod[no description available]medium20carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist
tirapazamine[no description available]medium10aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer
aprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
ceftobiprole[no description available]medium10cephalosporin;
thiadiazoles		antimicrobial agent
rifabutin[no description available]medium20
astemizole[no description available]medium20benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
aricine[no description available]medium20cinchona alkaloid
mefloquine hydrochloride[no description available]medium20organofluorine compound;
piperidines;
quinolines;
secondary alcohol
n-acetyl-4-nitrophenylserinol[no description available]medium20
pronethalol[no description available]medium20naphthalenes
scriptaid[no description available]medium20isoquinolines
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone[no description available]medium20cyclodepsipeptide
phanquinone[no description available]medium20orthoquinones
diphenan[no description available]medium20diarylmethane
2-phenylacetamide[no description available]medium20monocarboxylic acid amidemouse metabolite
tetraphenylborate[no description available]medium20
cycloguanil hydrochloride[no description available]medium20hydrochloride;
organic molecular entity
emetine[no description available]medium20isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
gentian violet[no description available]medium10organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
Berberine chloride (TN)[no description available]medium20organic molecular entity
9,10-dimethylanthracene[no description available]medium20
c 137[no description available]medium20
buquinolate[no description available]medium20
propranolol glycol[no description available]medium20
thionine[no description available]medium10
neocuproine[no description available]medium20phenanthrolineschelator;
copper chelator
mefloquine hydrochloride[no description available]medium10hydrochloride
toxoflavin[no description available]medium20carbonyl compound;
pyrimidotriazine		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
selfotel[no description available]medium10non-proteinogenic alpha-amino acid
2,2',2''-terpyridine[no description available]medium20terpyridineschelator
cletoquine[no description available]medium20
lycorine[no description available]medium20indolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor
bathophenanthroline[no description available]medium20benzenes;
phenanthrolines		chelator
fascaplysine[no description available]medium10
tryptanthrine[no description available]medium20alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
ethylhydrocupreine[no description available]medium20aromatic ether;
cinchona alkaloid		EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
cinchonine[no description available]medium20(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
7-chloro-4-aminoquinoline[no description available]medium20aminoquinoline
mmv665852[no description available]medium20
1,3,4,10-Tetrahydro-9(2H)-acridinone[no description available]medium20acridines
wr 158122[no description available]medium20
dihydroergocristine[no description available]medium20ergot alkaloidadrenergic antagonist;
vasodilator agent
cleistanthin b[no description available]medium20beta-D-glucoside;
cleistanthins;
monosaccharide derivative		alpha-adrenergic antagonist;
antihypertensive agent;
diuretic
n-acetyltyramine[no description available]medium20acetamides;
tyramines		animal metabolite;
Aspergillus metabolite;
bacterial metabolite;
marine metabolite;
quorum sensing inhibitor
1,3-di(4-imidazolinophenoxyl)propane[no description available]medium20
7h-pyrido(4,3-c)carbazole[no description available]medium20
cl 246738[no description available]medium20
celastrol methyl ester[no description available]medium20carboxylic ester
2-phenyl-4-oxohydroquinoline[no description available]medium20
cypripedin[no description available]medium20phenanthrol
respinomycin d[no description available]medium20
azacrin[no description available]medium10
acetoxycycloheximide[no description available]medium20
(R)-Roemerine[no description available]medium20isoquinoline alkaloid
anisomycin[no description available]medium10monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
2-guanidine-4-methylquinazoline[no description available]medium20
jatrorrhizine chloride[no description available]medium10
puromycin[no description available]medium20puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor
trichostatin a[no description available]medium10antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
epothilone b[no description available]medium20epothilone;
epoxide		antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent
dactinomycin[no description available]medium20actinomycinmutagen
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione[no description available]medium20pyrimidotriazine
jp-1302[no description available]medium20
7-hydroxy-2-methoxy-1,4-phenanthrenedione[no description available]medium20
cgp 60474[no description available]medium20substituted aniline
2-[2-hydroxy-6,7-dimethoxy-4-(4-morpholinyl)-1-naphthalenyl]-N-phenylacetamide[no description available]medium20naphthols
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine[no description available]medium20aralkylamine
2,6-bis(benzimidazol-2-yl)pyridine[no description available]medium20benzimidazoles
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine[no description available]medium20
N-[4-(1-azepanyl)phenyl]-2-chloroacetamide[no description available]medium20anilide
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester[no description available]medium20toluenes
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)[no description available]medium20benzimidazoles
1,4,8-trimethyl-12-quinolino[2,3-b]quinolinamine[no description available]medium20aminoquinoline
2-furanyl-(4,4,8-trimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)methanone[no description available]medium20aromatic amide;
heteroarene
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone[no description available]medium20quinolines
stk295900[no description available]medium20
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole[no description available]medium20benzimidazoles
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine[no description available]medium20aromatic ether
N-[2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-2-benzimidazol-3-iumyl]ethenyl]-N-methylaniline[no description available]medium20benzimidazoles
4-(1-adamantyl)-2-methyl-1,3-thiazole[no description available]medium20thiazoles
2-amino-6-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]pyridine-3,5-dicarbonitrile[no description available]medium20piperazines;
pyridines
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea[no description available]medium20pyrazoles;
ring assembly
2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine[no description available]medium20quinazolines
polysulfide rubber[no description available]medium20
4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide[no description available]medium20piperazines
zd 6474[no description available]medium20aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide[no description available]medium20indoles
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide[no description available]medium20aromatic amide;
heteroarene
2-[(3-ethyl-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide[no description available]medium20organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
trichomonacid[no description available]medium20
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine[no description available]medium20triazolopyrimidines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide[no description available]medium20isoindoles
penicillin v[no description available]medium101,1'-diethyl-2,2'-cyanine;
quinolines
hydrocortisone acetate, (11beta)-isomer[no description available]medium20
xib 4035[no description available]medium20
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one[no description available]medium20pyridochromene
lumefantrine[no description available]medium20fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine		antimalarial
suloctidil[no description available]medium10
edatrexate[no description available]medium20glutamic acid derivative
cgp 71683 a[no description available]medium10
artenimol[no description available]medium10
aee 788[no description available]medium206-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
tomaymycin[no description available]medium20tomaymycin
amodiaquine hydrochloride[no description available]medium10
gramicidin a[no description available]medium20
N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide[no description available]medium20benzenes
rs 39604[no description available]medium10hydrochlorideserotonergic antagonist
1-[amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-3-phenylurea[no description available]medium20quinazolines
dan 2163[no description available]medium10aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic
practolol[no description available]medium10acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist
sulfasalazine[no description available]medium10
cloxacillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
ritonavir[no description available]medium101,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid[no description available]medium10non-proteinogenic alpha-amino acid
nsc-267703[no description available]medium10anthracycline
dactinomycin[no description available]medium10cyclodepsipeptide
amodiaquine[no description available]medium10aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
berberine[no description available]medium10alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound		antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker
clofilium[no description available]medium10benzenes;
organic amino compound
dequalinium[no description available]medium10quinolinium ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
nsc-526417[no description available]medium10
gentian violet[no description available]medium10iminium ionantibacterial agent;
antifungal agent
hexahydrosiladifenidol[no description available]medium10
cycloguanil[no description available]medium10triazinesantifolate;
antiinfective agent;
antimalarial;
antiparasitic agent;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
triphenyltetrazolium[no description available]medium10organic cation
berbamine[no description available]medium10phenylpropanoid
palmatine[no description available]medium10berberine alkaloid;
organic heterotetracyclic compound		plant metabolite
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine[no description available]medium10
naphthoxybutanolcyclohexylamine[no description available]medium10
staurosporine[no description available]medium10indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
propamidine[no description available]medium10aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
quinocide[no description available]medium10
clobetasone butyrate[no description available]medium10organic molecular entity
jatrorrhizine[no description available]medium10alkaloid
LSM-4272[no description available]medium10beta-carbolines
2,4-diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine[no description available]medium10
10-deazaaminopterin[no description available]medium10
benzamil[no description available]medium10guanidines;
pyrazines
imiloxan[no description available]medium10benzodioxine
epiberberine[no description available]medium10
mensacarcin[no description available]medium10
cephaelin[no description available]medium10pyridoisoquinoline
wr-142,490[no description available]medium10[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium10alkylbenzene
n-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine[no description available]medium10
lch-7749944[no description available]medium10
cgp 71683 a[no description available]medium10naphthalenes;
sulfonic acid derivative
2-(dimethylaminostyryl)-1-ethylpyridinium[no description available]medium10pyridinium ion
norketotifen[no description available]medium10organosulfur heterocyclic compound
edaravone[no description available]medium10pyrazoloneantioxidant;
radical scavenger
propionic acid[no description available]medium10saturated fatty acid;
short-chain fatty acid		antifungal drug
nicergoline[no description available]medium11organic heterotetracyclic compound;
organonitrogen heterocyclic compound
aluminum chloride[no description available]medium10aluminium coordination entityLewis acid
malondialdehyde[no description available]medium10dialdehydebiomarker
glutamic acid[no description available]medium10glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
calpain[no description available]medium10
palladium[no description available]medium10metal allergen;
nickel group element atom;
platinum group metal atom
congo red[no description available]medium10bis(azo) compound
acetonitrile[no description available]medium10aliphatic nitrile;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
dodecanol[no description available]medium10dodecanol;
primary alcohol		bacterial metabolite;
cosmetic;
insect attractant;
insecticide;
pheromone;
plant metabolite
ethylbenzene[no description available]medium10alkylbenzene
benzene[no description available]medium10aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
cyclohexanol[no description available]medium10cyclohexanols;
secondary alcohol		solvent
trimethyltin[no description available]medium10
methylazoxymethanol acetate[no description available]medium10azoxy compound
dextroamphetamine[no description available]medium101-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
minaprine[no description available]medium10morpholines;
pyridazines;
secondary amine		antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake inhibitor
ascorbic acid[no description available]medium10ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
glycine[no description available]medium20alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
idebenone[no description available]medium301,4-benzoquinones;
primary alcohol		antioxidant;
ferroptosis inhibitor
ubiquinone[no description available]medium30
arecoline[no description available]medium10enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist
cgp 36742[no description available]medium20
glycerylphosphorylcholine[no description available]medium20glycerophosphocholine
pyrroles[no description available]medium10pyrrole;
secondary amine
bmy 21502[no description available]medium10
potassium cyanide[no description available]medium10cyanide salt;
one-carbon compound;
potassium salt		EC 1.15.1.1 (superoxide dismutase) inhibitor;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
neurotoxin
cyclo(alanine-(1-amino-1-cyclopentane)carbonyl)[no description available]medium10
gyki 52466[no description available]medium10benzodiazepine
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline[no description available]medium10naphthalenes;
sulfonic acid derivative
quinoxalines[no description available]medium20mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene
bucladesine[no description available]medium103',5'-cyclic purine nucleotide
phosphocreatine[no description available]medium10phosphagen;
phosphoamino acid		human metabolite;
mouse metabolite
valine[no description available]medium20L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
trandolapril[no description available]medium10dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
nefiracetam[no description available]medium20organonitrogen compound;
organooxygen compound
indeloxazine[no description available]medium20indene
bifemelane[no description available]medium10diarylmethane
n-methylscopolamine[no description available]medium10
oxotremorine[no description available]medium20N-alkylpyrrolidine
secoverine[no description available]medium10
6-cyano-7-nitroquinoxaline-2,3-dione[no description available]medium10quinoxaline derivative
4-anisic acid[no description available]medium10methoxybenzoic acidplant metabolite
pramiracetam[no description available]medium40organonitrogen compound;
organooxygen compound
tranylcypromine[no description available]medium102-phenylcyclopropan-1-amine
cellulose[no description available]medium10glycoside
hemicholinium 3[no description available]medium30
choline[no description available]medium70cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
phosphatidylcholines[no description available]medium201,2-diacyl-sn-glycero-3-phosphocholine
dihydroergotoxine[no description available]medium10
clobazam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator
pyrrolidonecarboxylic acid[no description available]medium105-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid		algal metabolite
ryodipine[no description available]medium10
enkephalin, leucine-2-alanine[no description available]medium10
mecamylamine[no description available]medium10primary aliphatic amine
glycerol[no description available]medium10alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
n-acetylglycinamide[no description available]medium10
pyrithioxin[no description available]medium10methylpyridines
tyrosine[no description available]medium10amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
phenylalanine[no description available]medium10amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
yohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
fipexide[no description available]medium10benzodioxoles
2-carboxyethyl gamma-aminobutyric acid[no description available]low00organonitrogen compound;
organooxygen compound
carcinine[no description available]low00beta-alanine derivative;
imidazoles;
monocarboxylic acid amide;
organonitrogen compound;
organooxygen compound		antioxidant;
crustacean metabolite
dimethyl pyrocarbonate[no description available]low00organooxygen compound
methoxyamine[no description available]low00organooxygen compound
etozolin[no description available]low00organonitrogen compound;
organooxygen compound
2-acetyltributylcitrate[no description available]low00organooxygen compound
guanidine carboxamide[no description available]low00organooxygen compound
cuprizone[no description available]low00organonitrogen compound;
organooxygen compound
cdta[no description available]low00organooxygen compound
alpha-fluoro-beta-alanine[no description available]low00organonitrogen compound;
organooxygen compound
ammonium bicarbonate[no description available]low00organooxygen compound
4-amino-3-phenylbutyric acid[no description available]low00organonitrogen compound;
organooxygen compound
zinc carbonate[no description available]low00organooxygen compound
nicofuranose[no description available]low00organooxygen compound
lodoxamide[no description available]low00organonitrogen compound;
organooxygen compound
Arbaclofen[no description available]low00organonitrogen compound;
organooxygen compound
etiracetam[no description available]low00organooxygen compound
azidoamphenicol[no description available]low00organonitrogen compound;
organooxygen compound
telmesteine[no description available]low00organonitrogen compound;
organooxygen compound
pivagabine[no description available]low00organonitrogen compound;
organooxygen compound
2-carboxythiazolidine-4-carboxylic acid[no description available]low00organonitrogen compound;
organooxygen compound
alpha-lapachone[no description available]low00organic heterotricyclic compound;
organooxygen compound
5,5-dimethylthiazolidine-4-carboxylic acid[no description available]low00organonitrogen compound;
organooxygen compound
aurofusarin[no description available]low00organic heterotricyclic compound;
organooxygen compound
7,9-dimethyl-9aH-quinolizine-1,2,3,4-tetracarboxylic acid tetramethyl ester[no description available]low00organooxygen compound
n-nitrosothiazolidine-4-carboxylic acid[no description available]low00organonitrogen compound;
organooxygen compound
pyridinoline[no description available]low00organonitrogen compound;
organooxygen compound
4-(isopropylamino)-2-(2-pyridyl)-2-phenylbutyramide[no description available]low00organonitrogen compound;
organooxygen compound
paspaline[no description available]low00organic heterotricyclic compound;
organooxygen compound
2-methyl-5-nitroimidazol-1-ylacetic acid[no description available]low00organonitrogen compound;
organooxygen compound
3-carboxymethyl-6-benzyl-2,5-diketopiperazine[no description available]low00organonitrogen compound;
organooxygen compound
3,5-diiodothyronine[no description available]low00organonitrogen compound;
organooxygen compound
8-(3-carboxy-1-methylpropylamino)-6-methoxyquinoline[no description available]low00organonitrogen compound;
organooxygen compound
salvinorin a[no description available]low00organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen
merodantoin[no description available]low00organonitrogen compound;
organooxygen compound
sch 45752[no description available]low00organic heterotricyclic compound;
organooxygen compound
argininic acid[no description available]low00organonitrogen compound;
organooxygen compound
delta-guanidinovaleric acid[no description available]low00organonitrogen compound;
organooxygen compound
chlorocarbonic acid[no description available]low00organooxygen compound
byssochlamic acid[no description available]low00organooxygen compound
mirestrol[no description available]low00organic heterotricyclic compound;
organooxygen compound
isoputreanine[no description available]low00organonitrogen compound;
organooxygen compound
cyclo(glycylprolyl)[no description available]low00organonitrogen compound;
organooxygen compound
cyclo(tyrosyl-prolyl)[no description available]low00organonitrogen compound;
organooxygen compound
columbin[no description available]low00organic heterotricyclic compound;
organooxygen compound
N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[2-(cyclopentylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-4-thiadiazolecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[2-(cyclohexylamino)-1-(2-furanyl)-2-oxoethyl]-N-(2-furanylmethyl)-2-furancarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-(2-furanyl)-N-(3-methylbutyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N-butan-2-yl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-thiadiazolecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N'-[2-(cyclohexylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylpentanediamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-cyclohexyl-2-furancarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methoxyanilino)-N-(2-methylbutan-2-yl)-2-(1-methyl-2-pyrrolyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methylanilino)-N-(2-furanylmethyl)-2-(3-pyridinyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-4-thiadiazolecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-cyclopentyl-2-[2-oxolanylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-thiophen-2-ylacetamide[no description available]low00organonitrogen compound;
organooxygen compound
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-fluorophenyl)-N-(3-pyridinyl)butanediamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(2,4-dioxo-3-thiazolidinyl)-N-(2,3,4-trifluorophenyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N-tert-butyl-2-(2-furanyl)-2-[[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]-(thiophen-2-ylmethyl)amino]acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N'-[1-[(cyclohexylamino)-oxomethyl]cyclopentyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylbutanediamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-propan-2-ylamino]-2-(2,5-dimethoxyphenyl)-N-(2-furanylmethyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(2-furanylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethylphenyl)-N-(2-pyridinyl)pentanediamide[no description available]low00organonitrogen compound;
organooxygen compound
N-(1,3-benzodioxol-5-yl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-pyrazinecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[(3-methyl-2,4-dioxo-5-thiazolidinyl)amino]benzoic acid[no description available]low00organonitrogen compound;
organooxygen compound
4-amino-N5-[2-(2-methoxyethylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-N5-(thiophen-2-ylmethyl)isothiazole-3,5-dicarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylbutanediamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[1,3-benzodioxol-5-yl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide[no description available]low00organonitrogen compound;
organooxygen compound
1-[2-[cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
4-[3-(4-methoxyanilino)-3-oxopropyl]-1-piperazinecarboxylic acid ethyl ester[no description available]low00organonitrogen compound;
organooxygen compound
3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]propanoic acid[no description available]low00organonitrogen compound;
organooxygen compound
N-(2,4-dimethoxyphenyl)-3-(4-morpholinyl)propanamide[no description available]low00organonitrogen compound;
organooxygen compound
1-[[2-(3-methylanilino)-1-oxoethyl]amino]-3-phenylthiourea[no description available]low00organonitrogen compound;
organooxygen compound
2-oxo-3-benzo[h][1]benzopyrancarboxylic acid ethyl ester[no description available]low00organic heterotricyclic compound;
organooxygen compound
1-(2,3-dimethyl-1-indolyl)-2-(4-methyl-1-piperidinyl)ethanone[no description available]low00organonitrogen compound;
organooxygen compound
1-(N-[2-(Benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclopentylcyclohexane-1-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound		anticoronaviral agent
4-(4-methylphenyl)-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester[no description available]low00organonitrogen compound;
organooxygen compound
3-imino-2-benzo[f][1]benzopyrancarbothioamide[no description available]low00organic heterotricyclic compound;
organooxygen compound
3-(3-oxo-2-benzo[f][1]benzopyranyl)-1-phenyl-4-pyrazolecarboxaldehyde[no description available]low00organic heterotricyclic compound;
organooxygen compound
2-[(4-fluorophenyl)hydrazo]-2-oxoacetic acid ethyl ester[no description available]low00organonitrogen compound;
organooxygen compound
4-[(3,5-dimethylphenyl)-oxomethyl]-1,3-dihydroquinoxalin-2-one[no description available]low00organonitrogen compound;
organooxygen compound
N-(3,5-dimethoxyphenyl)-2-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
5-[(2-chlorophenyl)hydrazo]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one[no description available]low00organonitrogen compound;
organooxygen compound
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4,5-diphenyl-2-thiazolyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-chloro-N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]benzamide[no description available]low00organonitrogen compound;
organooxygen compound
4-bromo-N-[3-oxo-3-(2-thiazolylamino)propyl]benzamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[3-[4-[(2-methoxyphenyl)sulfamoyl]anilino]-3-oxopropyl]-2-furancarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
3-(4-Chloroanilino)propanoic acid[no description available]low00organonitrogen compound;
organooxygen compound
1,4-dihydroxy-4a,5,6,7,8,8a-hexahydroquinoxaline-2,3-dione[no description available]low00organonitrogen compound;
organooxygen compound
2-(2-furanyl)-4-thiazolidinecarboxylic acid[no description available]low00organonitrogen compound;
organooxygen compound
methyl-thiohydantoin-tryptophan[no description available]low00organonitrogen compound;
organooxygen compound
2-(difluoromethyl)-4-benzo[h][1]benzopyranone[no description available]low00organic heterotricyclic compound;
organooxygen compound
3-hydroxy-7-methyl-3-(4-morpholinyl)-5-nitro-1H-indol-2-one[no description available]low00organonitrogen compound;
organooxygen compound
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one[no description available]low00organonitrogen compound;
organooxygen compound
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-(3-chloro-4-methylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[2-(1-azepanyl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester[no description available]low00organonitrogen compound;
organooxygen compound
2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinecarboxylic acid tert-butyl ester[no description available]low00organonitrogen compound;
organooxygen compound
albutoin[no description available]low00organonitrogen compound;
organooxygen compound
2-thioxo-4-thiazolidinecarboxylic acid[no description available]low00organonitrogen compound;
organooxygen compound
momilactone b[no description available]low00organic heterotricyclic compound;
organooxygen compound
N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide[no description available]low00organonitrogen compound;
organooxygen compound
4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester[no description available]low00organonitrogen compound;
organooxygen compound
5'-(4-methylphenyl)-2-spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]one[no description available]low00organonitrogen compound;
organooxygen compound
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
uccf-029[no description available]low00organic heterotricyclic compound;
organooxygen compound
2-(2-furanyl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-(2-oxolanylmethyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[cyclopentyl-[1-oxo-2-(5-thiophen-2-yl-2-tetrazolyl)ethyl]amino]-N-(2-oxolanylmethyl)-2-thiophen-2-ylacetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(N-[2-(Benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide[no description available]low00organonitrogen compound;
organooxygen compound		anticoronaviral agent
CID 3206295[no description available]low00organonitrogen compound;
organooxygen compound		anticoronaviral agent
N-tert-butyl-2-[(2-chloro-1-oxoethyl)-(2-furanylmethyl)amino]-2-(4-chlorophenyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N'-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinyl)amino]-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N-cyclohexyl-2-(4-fluoro-N-[1-oxo-2-(3-thiophenyl)ethyl]anilino)-2-(4-fluorophenyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanone[no description available]low00organonitrogen compound;
organooxygen compound
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-2-thiophenesulfonamide[no description available]low00organonitrogen compound;
organooxygen compound
N-cyclopentyl-3-[(4-methylphenyl)sulfonylamino]propanamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[(5-bromo-2-thiophenyl)sulfonyl-methylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
3-[(4-methoxyphenyl)sulfonylamino]-N-(phenylmethyl)propanamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid[no description available]low00organonitrogen compound;
organooxygen compound
3-amino-4-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-methylphenyl)-5-phenylimino-2H-thiophene-2-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydrothiazole-4-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide[no description available]low00organonitrogen compound;
organooxygen compound
LSM-1924[no description available]low00organic heterotricyclic compound;
organooxygen compound
LSM-16912[no description available]low00organonitrogen compound;
organooxygen compound
N-(4-phenylmethoxyphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamide[no description available]low00organonitrogen compound;
organooxygen compound
3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione[no description available]low00organonitrogen compound;
organooxygen compound
LSM-22738[no description available]low00organic heterotricyclic compound;
organooxygen compound
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(2-furanylmethyl)-2-pyridinecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(2-furanylmethyl)-2-pyridinecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyrazinecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
1-[2-(4-methoxyphenyl)-4-[oxo(1-pyrrolidinyl)methyl]-3-thiazolidinyl]-1-propanone[no description available]low00organonitrogen compound;
organooxygen compound
LSM-26445[no description available]low00organic heterotricyclic compound;
organooxygen compound
2-(N-(2-chloro-1-oxoethyl)-4-fluoroanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(2,3-dioxo-1-indolyl)-N-(2-phenylethyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[5-(phenylmethyl)-2-thiazolyl]-4,5-dihydro-1H-imidazole-2-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
LSM-1925[no description available]low00organic heterotricyclic compound;
organooxygen compound
2-[[(3-amino-4-carbamoyl-5-cyclohexylimino-2H-thiophen-2-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester[no description available]low00organonitrogen compound;
organooxygen compound
3-amino-N2-(2,3-dichlorophenyl)-5-(2-methoxyphenyl)imino-2H-thiophene-2,4-dicarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
5'-bromo-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]one[no description available]low00organonitrogen compound;
organooxygen compound
N-(3,4-dimethylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
LSM-25964[no description available]low00organic heterotricyclic compound;
organooxygen compound
N-(3-oxo-2-benzo[f][1]benzopyranyl)acetamide[no description available]low00organic heterotricyclic compound;
organooxygen compound
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
chicoric acid[no description available]low00organooxygen compoundgeroprotector;
HIV-1 integrase inhibitor
1-[2-(4-morpholinyl)-2-oxoethyl]-2-pyrido[2,3-b][1,4]thiazinone[no description available]low00organonitrogen compound;
organooxygen compound
aurantiamine[no description available]low00organonitrogen compound;
organooxygen compound
5-aminolevulinic acid hexyl ester[no description available]low00organonitrogen compound;
organooxygen compound
gabalid[no description available]low00organonitrogen compound;
organooxygen compound
tremortin a[no description available]low00organic heterotricyclic compound;
organooxygen compound
N-[3-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methylamino]-3-oxopropyl]-3-methoxybenzamide[no description available]low00organonitrogen compound;
organooxygen compound
4-chloro-N-[4-[3-(methylthio)anilino]-4-oxobutyl]benzamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-pyridinecarboxamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[2-(4-chlorophenyl)ethyl]-2-[3-[(2-fluorophenyl)methyl]-2-oxo-1-imidazolidinyl]acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide[no description available]low00organonitrogen compound;
organooxygen compound
nu 7026[no description available]low00organic heterotricyclic compound;
organooxygen compound
seletracetam[no description available]low00organonitrogen compound;
organooxygen compound
terpendole e[no description available]low00organic heterotricyclic compound;
organooxygen compound
elagolix[no description available]low00organonitrogen compound;
organooxygen compound
citrinadin a[no description available]low00organonitrogen compound;
organooxygen compound
moiramide b[no description available]low00organonitrogen compound;
organooxygen compound
N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl)methyl]-4-methylbenzenesulfonamide[no description available]low00organonitrogen compound;
organooxygen compound
lc15-0444[no description available]low00organonitrogen compound;
organooxygen compound
2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide[no description available]low00organonitrogen compound;
organooxygen compound
2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide[no description available]low00organonitrogen compound;
organooxygen compound
1-(4-fluorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea[no description available]low00organonitrogen compound;
organooxygen compound
1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea[no description available]low00organonitrogen compound;
organooxygen compound
1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea[no description available]low00organonitrogen compound;
organooxygen compound
N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamide[no description available]low00organonitrogen compound;
organooxygen compound
3-acetamido-N-[4-(4-methylsulfonylphenyl)-2-thiazolyl]-3-phenyl-N-prop-2-enylpropanamide[no description available]low00organonitrogen compound;
organooxygen compound
thallusin[no description available]low00organic heterotricyclic compound;
organooxygen compound
3-[4-[2-(2-fluorophenyl)ethylamino]-3-nitrophenyl]-3-[[2-(1-naphthalenyl)-1-oxoethyl]amino]propanamide[no description available]low00organonitrogen compound;
organooxygen compound
aflatrem[no description available]low00organic heterotricyclic compound;
organooxygen compound
N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide[no description available]low00organonitrogen compound;
organooxygen compound
(3S)-3-(2-methylpropyl)-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester[no description available]low00organonitrogen compound;
organooxygen compound
(3S)-3-(4-methoxyphenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester[no description available]low00organonitrogen compound;
organooxygen compound
(3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester[no description available]low00organonitrogen compound;
organooxygen compound
(3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester[no description available]low00organonitrogen compound;
organooxygen compound
(3R)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid diethyl ester[no description available]low00organonitrogen compound;
organooxygen compound
LSM-1873[no description available]low00organic heterotricyclic compound;
organooxygen compound
LSM-1834[no description available]low00organic heterotricyclic compound;
organooxygen compound
LSM-1287[no description available]low00organic heterotricyclic compound;
organooxygen compound
LSM-1675[no description available]low00organic heterotricyclic compound;
organooxygen compound
LSM-1312[no description available]low00organic heterotricyclic compound;
organooxygen compound
LSM-1315[no description available]low00organic heterotricyclic compound;
organooxygen compound
gsk 1838705a[no description available]low00organonitrogen compound;
organooxygen compound
3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione[no description available]low00maleimides;
organonitrogen compound;
organooxygen compound
N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide[no description available]low00organonitrogen compound;
organooxygen compound
N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide[no description available]low00organonitrogen compound;
organooxygen compound
neosurugatoxin[no description available]low00organonitrogen compound;
organooxygen compound
3-(((3-carboxycyclohexyl)amino)carbonyl)-4-(3-(4-(4-phenoxybutoxy)phenyl)propoxy)benzoic acid[no description available]low00organonitrogen compound;
organooxygen compound
putreanine[no description available]low00carboxylic acid anion;
N-substituted putrescine;
organonitrogen compound;
organooxygen compound
santacruzamate a[no description available]low00organonitrogen compound;
organooxygen compound
8-epidiosbulbin e acetate[no description available]low00organic heterotricyclic compound;
organooxygen compound
2-[(2-oxo-3-indolyl)amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide[no description available]low00organonitrogen compound;
organooxygen compound
pterine-6-carboxylic acid[no description available]low00organonitrogen compound;
organooxygen compound
conocurvone[no description available]low00organic heterotricyclic compound;
organooxygen compound
phosphocreatinine[no description available]low00organonitrogen compound;
organooxygen compound
carbamic acid[no description available]low00carbon oxoacid;
one-carbon compound;
organonitrogen compound		Escherichia coli metabolite
1,6-bis(cyclohexyloximinocarbonyl)hexane[no description available]low00carbamate ester;
organonitrogen compound
tetranitromethane[no description available]low00organonitrogen compound
methyl 4-mercaptobutyrimidate[no description available]low00organonitrogen compound;
oxoacid derivative
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester[no description available]low00organonitrogen compound;
organosulfur compound
N,N-diethylcarbamodithioic acid (2,2,2-trichloro-1-formamidoethyl) ester[no description available]low00organonitrogen compound;
organosulfur compound
n,n',n''-triacetylfusarinine c[no description available]low00iron coordination entity;
organonitrogen compound
curacin d[no description available]low00heterocyclic compound;
organonitrogen compound;
organosulfur compound
ConditionIndicatedRelationship StrengthStudiesTrials
Abnormalities, Drug-Induced0low10
Academic Disorder, Developmental0low20
Ache0low10
Acute Brain Injuries0low10
Acute Confusional Senile Dementia0medium64
Acute Ischemic Stroke0low10
Acute Onset Vascular Dementia0low20
Adult Learning Disabilities0low20
Adult Learning Disorders0low20
Age-Related Memory Disorders0medium52
Aging0low60
Alzheimer Dementia0medium64
Alzheimer Disease0medium64
Alzheimer Disease, Early Onset0medium64
Alzheimer Disease, Late Onset0medium64
Alzheimer Sclerosis0medium64
Alzheimer Syndrome0medium64
Alzheimer Type Senile Dementia0medium64
Alzheimer-Type Dementia (ATD)0medium64
Alzheimer's Disease0medium64
Alzheimer's Disease, Focal Onset0medium64
Alzheimer's Diseases0medium64
Amentia0medium76
Amnesia0medium71
Amnesia-Memory Loss0medium71
Amnesia, Dissociative0medium71
Amnesia, Global0medium71
Amnesia, Hysterical0medium71
Amnesia, Pre-Ictal0low10
Amnesia, Retrograde0low10
Amnesia, Tactile0medium71
Amnesia, Temporary0medium71
Amnestic State0medium71
Anemia, Fanconi0low10
Anorexia Nervosa0low10
Anoxia-Ischemia, Brain0low10
Anoxia-Ischemia, Cerebral0low10
Anoxia, Brain0low20
Anoxia, Cerebral0low20
Anoxic Brain Damage0low20
Anoxic Encephalopathy0low20
Anoxic-Ischemic Encephalopathy0low10
Anterior Choroidal Artery Infarction0low20
Anxiety0low10
Apoplexy0medium52
Arteriosclerotic Dementia0low20
Arteriosclerotic Encephalopathy, Subcortical0low20
Aura0low20
Autism Spectrum Disorder0low10
Autism Spectrum Disorders0low10
Autistic Spectrum Disorder0low10
Awakening Epilepsy0low20
Behavior Disorders0medium11
Benign Neoplasms0low10
Binswanger Disease0low20
Binswanger Encephalopathy0low20
Binswanger's Disease0low20
Blood Pressure, High0low10
Brain Anoxia0low20
Brain Anoxia-Ischemia0low10
Brain Concussion0medium21
Brain Diseases0low20
Brain Disorders0low20
Brain Hemorrhage, Cerebral0low10
Brain Hypoxia0low20
Brain Hypoxia-Ischemia0low10
Brain Injuries0low10
Brain Injuries, Acute0low10
Brain Injuries, Focal0low10
Brain Injuries, Traumatic0low20
Brain Ischemia0low40
Brain Ischemia-Anoxia0low10
Brain Ischemia-Hypoxia0low10
Brain Lacerations0low10
Brain Vascular Disorders0medium61
Cancer0low10
Carbon Monoxide Poisoning0low10
Central Nervous System Disorders, Intracranial0low20
Central Nervous System Intracranial Disorders0low20
Cerebral Anoxia0low20
Cerebral Anoxia-Ischemia0low10
Cerebral Concussion0medium21
Cerebral Hemorrhage0low10
Cerebral Hypoxia0low20
Cerebral Hypoxia-Ischemia0low10
Cerebral Infarct0low20
Cerebral Infarction0low20
Cerebral Infarction, Left Hemisphere0low20
Cerebral Infarction, Middle Cerebral Artery0low40
Cerebral Infarction, Right Hemisphere0low20
Cerebral Ischemia0low40
Cerebral Ischemia-Anoxia0low10
Cerebral Ischemia-Hypoxia0low10
Cerebral Parenchymal Hemorrhage0low10
Cerebral Stroke0medium52
Cerebral, Left Hemisphere, Infarction0low20
Cerebral, Right Hemisphere, Infarction0low20
Cerebrovascular Accident0medium52
Cerebrovascular Accident, Acute0medium52
Cerebrovascular Apoplexy0medium52
Cerebrovascular Diseases0medium61
Cerebrovascular Disorders0medium61
Cerebrovascular Insufficiency0medium61
Cerebrovascular Occlusion0medium61
Cerebrovascular Stroke0medium52
Chemical Dependence0low10
Chronic Progressive Subcortical Encephalopathy0low20
Clerambault Syndrome0medium33
CNS Disorders, Intracranial0low20
Cognition Disorders0medium97
Cognitive Decline0medium92
Cognitive Dysfunction0medium92
Cognitive Impairments0medium92
Commotio Cerebri0medium21
Concussion, Intermediate0medium21
Concussion, Mild0medium21
Concussion, Severe0medium21
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Contact Dermatitis0low10
Cryptogenic Embolism Stroke0low10
Cryptogenic Ischemic Stroke0low10
Cryptogenic Stroke0low10
CVA (Cerebrovascular Accident)0medium52
Decerebrate Posturing0low10
Decerebrate State0low10
Decorticate Rigidity0low10
Decorticate State0low10
Delayed Effects, Prenatal Exposure0low10
Delirium, Dementia, Amnestic, Cognitive Disorders0medium33
Dementia0medium76
Dementia Multi-Infarct0medium74
Dementia, Alzheimer Type0medium64
Dementia, Multi-Infarct0medium74
Dementia, Multiinfarct0medium74
Dementia, Presenile0medium64
Dementia, Primary Senile Degenerative0medium64
Dementia, Senile0medium64
Dementia, Vascular0low20
Dermatitis Venenata0low10
Dermatitis, Contact0low10
Developmental Academic Disability0low20
Developmental Academic Disorder0low20
Developmental Disabilities of Scholastic Skills0low20
Developmental Disorders of Scholastic Skills0low20
Diagnosis, Psychiatric0medium11
Disease Models, Animal0low80
Drug Abuse0low10
Drug Addiction0low10
Drug Dependence0low10
Drug Habituation0low10
Drug Use Disorders0low10
Drug-Induced Abnormalities0low10
Early Onset Alzheimer Disease0medium64
Eczema, Contact0low10
Electrolytes0low10
Embolic Infarction, Middle Cerebral Artery0low40
Embolus, Middle Cerebral Artery0low40
Emesis0low10
Encephalon Diseases0low20
Encephalopathy0low20
Encephalopathy, Anoxic-Ischemic0low10
Encephalopathy, Binswanger0low20
Encephalopathy, Binswanger's0low20
Encephalopathy, Chronic Progressive Subcortical0low20
Encephalopathy, Hypoxic0low20
Encephalopathy, Hypoxic-Ischemic0low10
Encephalopathy, Ischemic0low40
Encephalopathy, Subcortical Arteriosclerotic0low20
Encephalopathy, Subcortical, Chronic Progressive0low20
Encephalopathy, Traumatic0low20
Epilepsy0low20
Epilepsy, Cryptogenic0low20
Familial Alzheimer Disease (FAD)0medium64
Familial Dementia0medium76
Fanconi Anemia0low10
Fanconi Hypoplastic Anemia0low10
Fanconi Pancytopenia0low10
Fanconi Panmyelopathy0low10
Fanconi's Anemia0low10
Fever, Zika0low10
Focal Brain Injuries0low10
Focal Onset Alzheimer's Disease0medium64
Hemorrhage, Cerebral0low10
Hemorrhage, Cerebrum0low10
Hypersensitivity, Contact0low10
Hypertension0low10
Hypoxia-Ischemia, Brain0low10
Hypoxia-Ischemia, Cerebral0low10
Hypoxia, Brain0low20
Hypoxia, Cerebral0low20
Hypoxic Brain Damage0low20
Hypoxic Encephalopathy0low20
Hypoxic-Ischemic Encephalopathy0low10
Illuminating Gas Poisoning0low10
Infarction, Cerebral0low20
Infarction, Cerebral, Left Hemisphere0low20
Infarction, Cerebral, Right Hemisphere0low20
Infarction, Left Hemisphere, Cerebral0low20
Infarction, Middle Cerebral Artery0low40
Infarction, Right Hemisphere, Cerebral0low20
Infections, Plasmodium0low20
Injuries, Acute Brain0low10
Injuries, Brain0low10
Injury, Brain, Traumatic0low20
Injury, Ischemia-Reperfusion0low20
Injury, Reperfusion0low20
Intracerebral Hemorrhage0low10
Intracranial Central Nervous System Disorders0low20
Intracranial CNS Disorders0low20
Intracranial Vascular Disorders0medium61
Ischaemic Stroke0low10
Ischemia-Anoxia, Brain0low10
Ischemia-Anoxia, Cerebral0low10
Ischemia-Hypoxia, Brain0low10
Ischemia-Hypoxia, Cerebral0low10
Ischemia-Reperfusion Injury0low20
Ischemia, Cerebral0low40
Ischemic Encephalopathy0low40
Ischemic Stroke0low10
Ischemic-Hypoxic Encephalopathy0low10
Itching0low10
Kandinsky Syndrome0medium33
Lacunar Dementia0medium74
Lacunar Dementias0medium74
Late Effects, Prenatal Exposure0low10
Late Onset Alzheimer Disease0medium64
Learning Disabilities0low20
Learning Disorders0low20
Learning Disorders, Adult0low20
Learning Disturbance0low20
Left Hemisphere, Cerebral Infarction0low20
Left Hemisphere, Infarction, Cerebral0low20
Left Middle Cerebral Artery Infarction0low40
Leukoencephalopathy, Subcortical0low20
Malaria0low20
Malaria, Falciparum0low10
Malignancy0low10
Malignant Neoplasms0low10
Marsh Fever0low20
MCA Infarct0low40
MCA Infarction0low40
Memory Deficits0medium52
Memory Disorder, Semantic0medium52
Memory Disorder, Spatial0medium52
Memory Disorders0medium52
Memory Disorders, Age-Related0medium52
Memory Loss0medium52
Memory Loss, Retrograde0low10
Mental Deterioration0medium92
Mental Disorders0medium11
Mental Disorders, Organic0medium33
Mental Disorders, Severe0medium11
Mental Illness0medium11
Microcephaly0low20
Microlissencephaly0low20
Middle Cerebral Artery Circulation Infarction0low40
Middle Cerebral Artery Embolic Infarction0low40
Middle Cerebral Artery Embolus0low40
Middle Cerebral Artery Infarction0low40
Middle Cerebral Artery Occlusion0low40
Middle Cerebral Artery Stroke0low40
Middle Cerebral Artery Syndrome0low40
Middle Cerebral Artery Thrombosis0low40
Middle Cerebral Artery Thrombotic Infarction0low40
Mild Cognitive Impairment0medium92
Mild Neurocognitive Disorder0medium92
Mild Traumatic Brain Injury0medium21
Multi-Infarct Dementia0medium74
Neoplasia0low10
Neoplasm0low10
Neoplasms0low10
Neoplasms, Benign0low10
Neuroblastoma0low10
Neurocognitive Disorders0medium33
Nonpsychotic Organic Brain Syndrome0medium33
Occlusion, Middle Cerebral Artery0low40
Organic Brain Syndrome, Nonpsychotic0medium33
Organic Mental Disorders0medium33
Organic Mental Disorders, Psychotic0medium33
Organic Mental Disorders, Substance-Induced0low10
Overinclusion0medium97
Pain0low10
Pain, Burning0low10
Pain, Crushing0low10
Pain, Migratory0low10
Pain, Radiating0low10
Pain, Splitting0low10
Paludism0low20
Plasmodium falciparum Malaria0low10
Plasmodium Infections0low20
Poisoning, Carbon Monoxide0low10
Poisoning, Illuminating Gas0low10
Posterior Choroidal Artery Infarction0low20
Pre-Ictal Memory Loss0low10
Pregnancy0low40
Prenatal Exposure Delayed Effects0low10
Prescription Drug Abuse0low10
Presenile Alzheimer Dementia0medium64
Primary Senile Degenerative Dementia0medium64
Pruritis0low10
Pruritus0low10
Psychiatric Diagnosis0medium11
Psychiatric Diseases0medium11
Psychiatric Disorders0medium11
Psychiatric Illness0medium11
Psychoses, Traumatic0medium33
Remittent Fever0low20
Reperfusion Damage0low20
Reperfusion Injury0low20
Retention Disorders, Cognitive0medium52
Retrograde Amnesia0low10
Right Hemisphere, Cerebral Infarction0low20
Right Hemisphere, Infarction, Cerebral0low20
Right Middle Cerebral Artery Infarction0low40
Rigidity, Decerebrate0low10
Rigidity, Decorticate0low10
Scholastic Skills Development Disorders0low20
Seizure Disorder0low20
Semantic Memory Disorder0medium52
Senile Dementia, Acute Confusional0medium64
Senile Dementia, Alzheimer Type0medium64
Senile Paranoid Dementia0medium76
Sensitivity and Specificity0low50
Sensitivity, Contact0low10
Severe Congenital Microcephaly0low20
Spatial Memory Disorder0medium52
Stroke0medium52
Stroke, Acute0medium52
Stroke, Middle Cerebral Artery0low40
Subcortical Arteriosclerotic Encephalopathy0low20
Subcortical Encephalopathy, Chronic Progressive0low20
Subcortical Infarction0low20
Subcortical Leukoencephalopathy0low20
Subcortical Vascular Dementia0low20
Substance Abuse0low10
Substance Addiction0low10
Substance Dependence0low10
Substance Use0low10
Substance Use Disorders0low10
Substance-Related Disorders0low10
Suffering, Physical0low10
Symptom Cluster0medium11
Syndrome0medium11
TBI (Traumatic Brain Injury)0low20
TBIs (Traumatic Brain Injuries)0low20
Thrombosis, Middle Cerebral Artery0low40
Thrombotic Infarction, Middle Cerebral Artery0low40
Trauma, Brain0low20
Traumatic Brain Injury0low20
Traumatic Encephalopathy0low20
Tumors0low10
Vascular Accident, Brain0medium52
Vascular Dementia0low20
Vascular Dementia, Acute Onset0low20
Vascular Diseases, Intracranial0medium61
Vomiting0low10
Wake-up Stroke0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (1)

ArticleYear
Comparative toxicity and toxicokinetic studies of oxiracetam and (S)-oxiracetam in dogs.
Xenobiotica; the fate of foreign compounds in biological systems, Volume: 49, Issue: 9		2019
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (1)

ArticleYear
Effects of nefiracetam, a novel pyrrolidone derivative, on brain monoamine metabolisms in mice.
Journal of neural transmission. General section, Volume: 90, Issue: 2		1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (10)

ArticleYear
Pharmacokinetic comparisons of S-oxiracetam and R-oxiracetam in beagle dogs.
Acta pharmaceutica (Zagreb, Croatia), Jun-01, Volume: 66, Issue: 2		2016
Enantioselective HPLC determination of oxiracetam enantiomers and application to a pharmacokinetic study in beagle dogs.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Jul-01, Volume: 993-994		2015
Comparative pharmacokinetic studies of racemic oxiracetam and its pure enantiomers after oral administration in rats by a stereoselective HPLC method.
Journal of pharmaceutical and biomedical analysis, Volume: 111		2015
Simultaneous determination of oxiracetam and its degraded substance in rat plasma by HPLC-MS/MS and its application to pharmacokinetic study after a single high-dose intravenous administration.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Oct-15, Volume: 969		2014
Determination of piracetam in rat plasma by LC-MS/MS and its application to pharmacokinetics.
Biomedical chromatography : BMC, Volume: 24, Issue: 10		2010
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
Drug metabolism and disposition: the biological fate of chemicals, Volume: 36, Issue: 7		2008
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (4)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Imaging of Plasmodium liver stages to drive next-generation antimalarial drug discovery.
Science (New York, N.Y.), Dec-09, Volume: 334, Issue: 6061		2011
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
Journal of medicinal chemistry, Feb-11, Volume: 53, Issue: 3		2010
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (10)

ArticleYear
Oxiracetam alleviates anti-inflammatory activity and ameliorates cognitive impairment in the early phase of traumatic brain injury.
Acta neurochirurgica, Volume: 165, Issue: 8		2023
Comparative toxicity and toxicokinetic studies of oxiracetam and (S)-oxiracetam in dogs.
Xenobiotica; the fate of foreign compounds in biological systems, Volume: 49, Issue: 9		2019
Comparative pharmacokinetic studies of racemic oxiracetam and its pure enantiomers after oral administration in rats by a stereoselective HPLC method.
Journal of pharmaceutical and biomedical analysis, Volume: 111		2015
[Optimization of preparation of poly ( glycidyl methacrylate-divinylbenzene) monolithic column with orthogonal experiments for separation of small molecules].
Se pu = Chinese journal of chromatography, Volume: 28, Issue: 2		2010
Synthesis and pharmacological activity of a series of dihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-diones, a novel class of potent cognition enhancers.
Journal of medicinal chemistry, Dec-24, Volume: 36, Issue: 26		1993
Double-blind, placebo-controlled, clinical, psychometric and neurophysiological investigations with oxiracetam in the organic brain syndrome of late life.
Neuropsychobiology, Volume: 13, Issue: 1-2		1985
CNS pharmacology and clinical therapeutic effects of oxiracetam.
Clinical neuropharmacology, Volume: 9 Suppl 3		1986
Blockade of the nootropic action of piracetam-like nootropics by adrenalectomy: an effect of dosage?
Behavioural brain research, Aug-01, Volume: 34, Issue: 1-2		1989
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Interactions (4)

ArticleYear
Effects of edaravone combined with Oxiracetam on neuronal apoptosis in rats with cerebral infarction through targeting SIRT1/NF-κB inflammatory pathway.
European review for medical and pharmacological sciences, Volume: 26, Issue: 1		2022
Effects of oxiracetam combined with ginkgo biloba extract in the treatment of acute intracerebral hemorrhage: A clinical study.
Brain and behavior, Volume: 10, Issue: 8		2020
Clinical efficacy and safety of nicergoline combined with oxiracetam in the treatment of vascular cognitive impairment.
Pakistan journal of pharmaceutical sciences, Volume: 33, Issue: 1(Special)		2020
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]