Compounds > 4-hydroxybutyric acid
Page last updated: 2024-09-21

4-hydroxybutyric acid

Description

4-hydroxybutyric acid: was an entry term to Sodium Oxybate (74-98) [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

4-hydroxybutyric acid : A 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group. [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]

Cross-References

ID SourceID
PubMed CID10413
CHEMBL ID1342
CHEBI ID30830
SCHEMBL ID10786
MeSH IDM0288532

Synonyms (80)

Synonym
4-03-00-00774 (beilstein handbook reference)
unii-30iw36w5b2
gamma-hydroxybutanoic acid
hsdb 6927
30iw36w5b2 ,
dea no. 2010
gamma-hydroxybutyric acid
gamma-hydroxybutyrate
oxy-n-butyric acid
xyrem
3-carboxypropoxy acid
gamma hydroxybutyric acid
CHEBI:30830 ,
GHB ,
4-hydroxy-butyric acid
brn 1720582
4-hydroxybuttersaeure
butyric acid, 4-hydroxy-
PDSP2_000340
PDSP1_000342
somsanit
nsc84223
butanoic acid, 4-hydroxy-
SHB ,
eb 27
4-ohb
sodium .gamma.-hydroxybutyrate
.gamma.-hydroxybutyric acid monosodium salt
gam-oh
hydroxybutyric acid monosodium salt
.gamma.-hydroxy butyrate
.gamma.-hydroxy sodium butyrate
4 hb
sodium .gamma.-oxybutyrate
4-hydroxybutyrate sodium
502-85-2
wy-3478
.gamma.-hydroxybutyric acid, sodium salt
.gamma.-hydroxybutyrate sodium
.gamma.-oh
gamma oh
hydroxybutyric acid-
oxybate sodium
wy 3478
4-hydroxybutyric acid monosodium salt
4-hydroxyacid
C01991
4-hydroxycarboxylic acid
4-hydroxybutanoic acid
4-hydroxybutyric acid
4-hydroxybutanoate
C00989
591-81-1
4-hydroxyalkanoic acid
DB01440
oxybate
4-hydroxy-butanoic acid
LMFA01050006
gamma hydroxybutyrate
AA3E2AF0-AB7A-4A1E-A391-199C049D7162 ,
.gamma.-hydroxybutyrate
CHEMBL1342 ,
bdbm50023575
NCGC00247714-01
52352-27-9
35054-79-6
alcover
gtpl4711
gamma-hydroxybutyrate [who-dd]
.gamma.-hydroxybutyrate [mi]
gamma-hydroxybutyric acid [hsdb]
.gamma.-hydroxybutyric acid
SCHEMBL10786
hydroxybutyricacid
4-hydroxybutanoic acid #
DTXSID2074740
SBI-0206686.P002
gamma-hydroxy butyrate
sodium gamma-oxybutyrate
Q207920

Roles (4)

RoleDescription
general anaestheticSubstance that produces loss of consciousness.
GHB receptor agonistA drug that binds to and activates gamma-hydroxybutyric acid receptors.
sedativeA central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
neurotoxinA poison that interferes with the functions of the nervous system.
[role 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]

Drug Classes (2)

ClassDescription
hydroxybutyric acidAny compound comprising a butyric acid core carrying at least one hydroxy substituent.
4-hydroxy monocarboxylic acidA hydroxy monocarboxylic acid which has a hydroxy group located gamma to the carboxy group.
[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]

Pathways (3)

4-hydroxybutyric acid is involved in 3 pathway(s), involving a total of 33 unique proteins and 67 unique compounds

PathwayProteinsCompounds
Glutamic Acid Metabolism1317
Butanoate Metabolism922
GABA metabolism (aka GHB)1128

Protein Targets (20)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Gamma-aminobutyric acid receptor subunit piRattus norvegicus (Norway rat)Ki502.15000.00020.656110.0000AID1638732; AID1638733
Calcium/calmodulin-dependent protein kinase type II subunit alphaRattus norvegicus (Norway rat)Ki19.43330.02201.47405.1000AID1848977; AID1848978; AID1848979
Gamma-aminobutyric acid receptor subunit beta-1Rattus norvegicus (Norway rat)Ki502.15000.00020.656110.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit deltaRattus norvegicus (Norway rat)Ki502.15000.00020.656110.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)Ki502.15000.00020.561410.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit alpha-5Rattus norvegicus (Norway rat)Ki502.15000.00020.635210.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit alpha-3Rattus norvegicus (Norway rat)Ki502.15000.00020.621710.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit gamma-1Rattus norvegicus (Norway rat)Ki502.15000.00020.675810.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit alpha-2Rattus norvegicus (Norway rat)Ki502.15000.00020.646910.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit alpha-4Rattus norvegicus (Norway rat)Ki502.15000.00020.656110.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit gamma-3Rattus norvegicus (Norway rat)Ki502.15000.00020.656110.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit alpha-6Rattus norvegicus (Norway rat)Ki502.15000.00020.671210.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)Ki502.15000.00020.557710.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit beta-3Rattus norvegicus (Norway rat)Ki502.15000.00020.640310.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)Ki502.15000.00020.570810.0000AID1638732; AID1638733
TetraspaninRattus norvegicus (Norway rat)IC50 (µMol)15.80006.60006.60006.6000AID242222; AID71717
GABA theta subunitRattus norvegicus (Norway rat)Ki502.15000.00020.656110.0000AID1638732; AID1638733
Gamma-aminobutyric acid receptor subunit epsilonRattus norvegicus (Norway rat)Ki502.15000.00020.656110.0000AID1638732; AID1638733
Calcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)Ki4.30001.99532.51814.3000AID1909936
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (31)

Processvia Protein(s)Taxonomy
monoatomic ion transportProton-coupled amino acid transporter 1Homo sapiens (human)
amino acid transportProton-coupled amino acid transporter 1Homo sapiens (human)
taurine transmembrane transportProton-coupled amino acid transporter 1Homo sapiens (human)
proline transportProton-coupled amino acid transporter 1Homo sapiens (human)
alanine transportProton-coupled amino acid transporter 1Homo sapiens (human)
amino acid import across plasma membraneProton-coupled amino acid transporter 1Homo sapiens (human)
glycine transportProton-coupled amino acid transporter 1Homo sapiens (human)
proline transmembrane transportProton-coupled amino acid transporter 1Homo sapiens (human)
proton transmembrane transportProton-coupled amino acid transporter 1Homo sapiens (human)
L-alanine transportProton-coupled amino acid transporter 1Homo sapiens (human)
G1/S transition of mitotic cell cycleCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
response to ischemiaCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
protein phosphorylationCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
calcium ion transportCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
positive regulation of cardiac muscle cell apoptotic processCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
peptidyl-serine phosphorylationCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
cellular response to interferon-betaCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
angiotensin-activated signaling pathwayCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
positive regulation of receptor signaling pathway via JAK-STATCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
protein autophosphorylationCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
regulation of neurotransmitter secretionCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
regulation of neuronal synaptic plasticityCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
positive regulation of NF-kappaB transcription factor activityCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
negative regulation of hydrolase activityCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
positive regulation of calcium ion transportCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
dendritic spine developmentCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
cellular response to type II interferonCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic processCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
peptidyl-threonine autophosphorylationCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
regulation of endocannabinoid signaling pathwayCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
regulation of neuron migrationCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (19)

Processvia Protein(s)Taxonomy
amino acid:proton symporter activityProton-coupled amino acid transporter 1Homo sapiens (human)
proline:proton symporter activityProton-coupled amino acid transporter 1Homo sapiens (human)
taurine transmembrane transporter activityProton-coupled amino acid transporter 1Homo sapiens (human)
protein bindingProton-coupled amino acid transporter 1Homo sapiens (human)
amino acid transmembrane transporter activityProton-coupled amino acid transporter 1Homo sapiens (human)
alanine transmembrane transporter activityProton-coupled amino acid transporter 1Homo sapiens (human)
L-alanine transmembrane transporter activityProton-coupled amino acid transporter 1Homo sapiens (human)
L-proline transmembrane transporter activityProton-coupled amino acid transporter 1Homo sapiens (human)
glycine transmembrane transporter activityProton-coupled amino acid transporter 1Homo sapiens (human)
protein serine/threonine kinase activityCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
calmodulin-dependent protein kinase activityCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
protein bindingCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
calmodulin bindingCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
ATP bindingCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
kinase activityCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
glutamate receptor bindingCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
identical protein bindingCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
protein homodimerization activityCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
metal ion bindingCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
protein serine kinase activityCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (15)

Processvia Protein(s)Taxonomy
cytosolCalcium/calmodulin-dependent protein kinase type II subunit alphaRattus norvegicus (Norway rat)
plasma membraneGamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)
plasma membraneGamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)
plasma membraneGamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)
lysosomal membraneProton-coupled amino acid transporter 1Homo sapiens (human)
endoplasmic reticulumProton-coupled amino acid transporter 1Homo sapiens (human)
plasma membraneProton-coupled amino acid transporter 1Homo sapiens (human)
apical plasma membraneProton-coupled amino acid transporter 1Homo sapiens (human)
vacuolar membraneProton-coupled amino acid transporter 1Homo sapiens (human)
nucleusCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
nucleoplasmCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
mitochondrionCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
cytosolCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
postsynaptic densityCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
endocytic vesicle membraneCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
dendritic spineCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
calcium- and calmodulin-dependent protein kinase complexCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
neuron projectionCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
cytoplasmCalcium/calmodulin-dependent protein kinase type II subunit alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (28)

Assay IDTitleYearJournalArticle
AID243773Percent displacement of [3H]GABA (1 mM) from Gamma-aminobutyric acid A receptor of rat cerebral cortex2005Bioorganic & medicinal chemistry letters, Jul-01, Volume: 15, Issue:13
Ethers of 3-hydroxyphenylacetic acid as selective gamma-hydroxybutyric acid receptor ligands.
AID773898Displacement of [3H]-3-hydroxycyclopent-1-enecarboxylic acid from GHB binding site in Sprague-Dawley rat cerebral cortex after 1 hr by scintillation counting analysis2013Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20
New synthesis and tritium labeling of a selective ligand for studying high-affinity γ-hydroxybutyrate (GHB) binding sites.
AID773895Ratio of drug level in brain to plasma in C57 mouse at 10 mg/kg, po after 30 mins by LC-MS/MS analysis2013Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20
New synthesis and tritium labeling of a selective ligand for studying high-affinity γ-hydroxybutyrate (GHB) binding sites.
AID414245Displacement of [3H]NCS-382 from GABAB receptor in rat brain homogenate2008Journal of medicinal chemistry, Dec-25, Volume: 51, Issue:24
Novel high-affinity and selective biaromatic 4-substituted gamma-hydroxybutyric acid (GHB) analogues as GHB ligands: design, synthesis, and binding studies.
AID242222Displacement of [3H]NCS-382 (16 nM) from GHB receptor of rat cerebrocortical membranes2005Bioorganic & medicinal chemistry letters, Jul-01, Volume: 15, Issue:13
Ethers of 3-hydroxyphenylacetic acid as selective gamma-hydroxybutyric acid receptor ligands.
AID681140TP_TRANSPORTER: uptake in Xenopus laevis oocytes2000The Journal of physiology, Dec-01, Volume: 529 Pt 2Characterisation of human monocarboxylate transporter 4 substantiates its role in lactic acid efflux from skeletal muscle.
AID681374TP_TRANSPORTER: inhibition of pyruvate uptake in Xenopus laevis oocytes1998The Journal of biological chemistry, Oct-30, Volume: 273, Issue:44
Human monocarboxylate transporter 2 (MCT2) is a high affinity pyruvate transporter.
AID1638733Displacement of [3H]NCS-382 from high-affinity GHB binding site of GABA(A) receptor in Sprague-Dawley rat cortical synaptic membranes by liquid scintillation counting2019Journal of medicinal chemistry, 03-14, Volume: 62, Issue:5
Discovery of 2-(Imidazo[1,2- b]pyridazin-2-yl)acetic Acid as a New Class of Ligands Selective for the γ-Hydroxybutyric Acid (GHB) High-Affinity Binding Sites.
AID630741Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting2011Bioorganic & medicinal chemistry, Nov-01, Volume: 19, Issue:21
Three-dimensional quantitative structure-activity relationship analyses of substrates of the human proton-coupled amino acid transporter 1 (hPAT1).
AID1848979Displacement of [3H]HOCPCA from recombinant rat CaMK2alpha expressed in HEK293T cells measured after 1 hr by liquid scintillation counting method
AID1465898Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain synaptosomal membranes after 1 hr by scintillation counting method2017Journal of medicinal chemistry, 11-09, Volume: 60, Issue:21
Molecular Hybridization of Potent and Selective γ-Hydroxybutyric Acid (GHB) Ligands: Design, Synthesis, Binding Studies, and Molecular Modeling of Novel 3-Hydroxycyclopent-1-enecarboxylic Acid (HOCPCA) and trans-γ-Hydroxycrotonic Acid (T-HCA) Analogs.
AID1909936Inhibition of [3H]NCS-382 binding to CaMK2alpha (unknown origin)
AID509554Displacement of [3H]NCS-382 from GABAB receptor gamma-hydroxybutyric acid binding site in rat cerebral cortex synaptic membranes after 1 hr by liquid scintillation counting2010Journal of medicinal chemistry, Sep-09, Volume: 53, Issue:17
Design, synthesis, and in vitro pharmacology of new radiolabeled gamma-hydroxybutyric acid analogues including photolabile analogues with irreversible binding to the high-affinity gamma-hydroxybutyric acid binding sites.
AID71719Binding affinity towards [3H]-GHB binding site at 10 uM1988Journal of medicinal chemistry, May, Volume: 31, Issue:5
Analogues of gamma-hydroxybutyric acid. Synthesis and binding studies.
AID1638732Displacement of [3H]muscimol from orthosteric binding site of GABA(A) receptor in Sprague-Dawley rat cortical synaptic membranes by liquid scintillation counting2019Journal of medicinal chemistry, 03-14, Volume: 62, Issue:5
Discovery of 2-(Imidazo[1,2- b]pyridazin-2-yl)acetic Acid as a New Class of Ligands Selective for the γ-Hydroxybutyric Acid (GHB) High-Affinity Binding Sites.
AID71717Binding affinity towards [3H]GHB binding site1988Journal of medicinal chemistry, May, Volume: 31, Issue:5
Analogues of gamma-hydroxybutyric acid. Synthesis and binding studies.
AID682143TP_TRANSPORTER: inhibition of pyruvate uptake in Xenopus laevis oocytes1998The Journal of biological chemistry, Oct-30, Volume: 273, Issue:44
Human monocarboxylate transporter 2 (MCT2) is a high affinity pyruvate transporter.
AID773893Apparent permeability from basolateral to apical side in MDCK cells expressing MDR12013Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20
New synthesis and tritium labeling of a selective ligand for studying high-affinity γ-hydroxybutyrate (GHB) binding sites.
AID1848978Displacement of [3H]HOCPCA from native CaMK2alpha in rat brain cortical membrane homogenates measured after 1 hr by TopCount scintillation counting method
AID1474167Liver toxicity in human assessed as induction of drug-induced liver injury by measuring verified drug-induced liver injury concern status2016Drug discovery today, Apr, Volume: 21, Issue:4
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID71718Binding affinity towards [3H]-GHB binding site at 1 uM1988Journal of medicinal chemistry, May, Volume: 31, Issue:5
Analogues of gamma-hydroxybutyric acid. Synthesis and binding studies.
AID243735Percent displacement of [3H]GABA (1 mM) from Gamma-aminobutyric acid B receptor of rat cerebellum2005Bioorganic & medicinal chemistry letters, Jul-01, Volume: 15, Issue:13
Ethers of 3-hydroxyphenylacetic acid as selective gamma-hydroxybutyric acid receptor ligands.
AID773904Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain synaptic membranes after 1 hr by scintillation counting analysis2013Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20
New synthesis and tritium labeling of a selective ligand for studying high-affinity γ-hydroxybutyrate (GHB) binding sites.
AID1638746Agonist activity at GABA(B) receptor (unknown origin)2019Journal of medicinal chemistry, 03-14, Volume: 62, Issue:5
Discovery of 2-(Imidazo[1,2- b]pyridazin-2-yl)acetic Acid as a New Class of Ligands Selective for the γ-Hydroxybutyric Acid (GHB) High-Affinity Binding Sites.
AID1848977Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cortical membrane homogenates measured after 1 hr by TopCount scintillation counting method
AID1474166Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index2016Drug discovery today, Apr, Volume: 21, Issue:4
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID773894Apparent permeability from apical to basolateral side in MDCK cells expressing MDR12013Journal of medicinal chemistry, Oct-24, Volume: 56, Issue:20
New synthesis and tritium labeling of a selective ligand for studying high-affinity γ-hydroxybutyrate (GHB) binding sites.
AID1346417Human HCA1 receptor (Hydroxycarboxylic acid receptors)2009The Journal of biological chemistry, Jan-30, Volume: 284, Issue:5
Lactate inhibits lipolysis in fat cells through activation of an orphan G-protein-coupled receptor, GPR81.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (434)

TimeframeStudies, This Drug (%)All Drugs %
pre-199027 (6.22)18.7374
1990's22 (5.07)18.2507
2000's200 (46.08)29.6817
2010's147 (33.87)24.3611
2020's38 (8.76)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 (%)
Trials14 (3.02%)5.53%
Reviews48 (10.37%)6.00%
Case Studies55 (11.88%)4.05%
Observational1 (0.22%)0.25%
Other345 (74.51%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
gamma-aminobutyric acid[no description available]medium400amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-butyrolactone[no description available]medium510butan-4-olidemetabolite;
neurotoxin
1,4-butanediol[no description available]medium220butanediol;
glycol		neurotoxin;
prodrug;
protic solvent
butenolide[no description available]medium10butenolide
4-hydroxyvaleric acid[no description available]medium20hydroxy fatty acid
3-hydroxybutyric acid[no description available]medium170(omega-1)-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
hydroxybutyric acid		human metabolite
pyruvic acid[no description available]medium302-oxo monocarboxylic acidcofactor;
fundamental metabolite
2-hydroxybutyric acid[no description available]medium202-hydroxy monocarboxylic acid;
hydroxybutyric acid		algal metabolite;
human metabolite
d-lactic acid[no description available]medium202-hydroxypropanoic acidEscherichia coli metabolite;
human metabolite
deoxyglucose[no description available]medium10
3-coumaric acid[no description available]medium103-coumaric acid
ethyl coumarate[no description available]medium10cinnamate ester
sodium lactate[no description available]medium30lactate salt;
organic sodium salt		food acidity regulator;
food preservative
alpha-ketoisovalerate[no description available]medium102-oxo monocarboxylic acid;
branched-chain keto acid		human metabolite;
Saccharomyces cerevisiae metabolite
alpha-ketobutyric acid[no description available]medium102-oxo monocarboxylic acid;
short-chain fatty acid
2-keto-4-methylvalerate[no description available]medium102-oxo monocarboxylic acid;
branched-chain keto acid		algal metabolite;
human metabolite
acetoacetic acid[no description available]medium103-oxo fatty acid;
ketone body		metabolite
glyoxylic acid[no description available]medium102-oxo monocarboxylic acid;
aldehydic acid		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
carbonic acid[no description available]medium10carbon oxoacid;
chalcocarbonic acid		mouse metabolite
oxamic acid[no description available]medium10dicarboxylic acid monoamideEscherichia coli metabolite
phenylpyruvic acid[no description available]medium102-oxo monocarboxylic acidchromogenic compound;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
fundamental metabolite
1-methyl-3-isobutylxanthine[no description available]medium103-isobutyl-1-methylxanthine
5-nitro-2-(3-phenylpropylamino)benzoic acid[no description available]medium10nitrobenzoic acid
phloretin[no description available]medium20dihydrochalconesantineoplastic agent;
plant metabolite
3-chloropropionic acid[no description available]medium10
3-hydroxybutyric acid[no description available]medium103-hydroxybutyric acid;
ketone body		fungal metabolite;
human metabolite;
pheromone
(S)-3-hydroxybutyric acid[no description available]medium103-hydroxybutyric acid
formic acid, sodium salt[no description available]medium10organic sodium saltastringent;
buffer
alpha-cyano-4-hydroxycinnamic acid[no description available]medium10monohydroxycinnamic acid;
nitrile;
phenols		MALDI matrix material
3-hydroxybenzeneacetic acid[no description available]medium20monocarboxylic acid;
phenols		human xenobiotic metabolite
l-lactic acid[no description available]medium10(2S)-2-hydroxy monocarboxylic acid;
2-hydroxypropanoic acid		Escherichia coli metabolite;
human metabolite
fenbufen[no description available]medium104-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug
4-hydroxy-2-butenoic acid[no description available]medium40hydroxy fatty acid
beta-alanine[no description available]medium10amino acid zwitterion;
beta-amino acid		agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter
betaine[no description available]medium20amino-acid betaine;
glycine derivative		fundamental metabolite
aminocaproic acid[no description available]medium20amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
creatine[no description available]medium10glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
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
glycocyamine[no description available]medium10guanidinoacetic acids;
zwitterion		bacterial metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite
picolinic acid[no description available]medium10pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
sarcosine[no description available]medium10N-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines		Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite
taurine[no description available]medium20amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
tramiprosate[no description available]medium10amino sulfonic acid;
zwitterion		algal metabolite;
anti-inflammatory agent;
anticonvulsant;
GABA agonist;
nootropic agent
isoguvacine[no description available]medium10tetrahydropyridine
4-piperidinecarboxylic acid[no description available]medium10
hydroxyproline[no description available]medium104-hydroxyproline;
L-alpha-amino acid zwitterion		human metabolite;
mouse metabolite;
plant metabolite
cysteine[no description available]medium20cysteine zwitterion;
cysteine;
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid		EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
flour treatment agent;
human metabolite
alanine[no description available]medium20alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
serine[no description available]medium10L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
leucine[no description available]medium10amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
2-aminoisobutyric acid[no description available]medium102,2-dialkylglycine zwitterion;
2,2-dialkylglycine
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
isoleucine[no description available]medium10aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
3-aminobenzoic acid[no description available]medium10aminobenzoic acid
piperidine[no description available]medium10azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine		base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
D-proline[no description available]medium10D-alpha-amino acid zwitterion;
D-alpha-amino acid;
proline		mouse metabolite
thiazolidines[no description available]medium10thiazolidine
azetidyl-2-carboxylic acid[no description available]medium10azetidine-2-carboxylic acid
pyrrolidine[no description available]medium10azacycloalkane;
pyrrolidines;
saturated organic heteromonocyclic parent
norvaline[no description available]medium102-aminopentanoic acid;
L-alpha-amino acid zwitterion		bacterial metabolite;
hypoglycemic agent;
neuroprotective agent
guanidinopropionic acid[no description available]medium10guanidines;
zwitterion		hypoglycemic agent
D-serine[no description available]medium10D-alpha-amino acid;
serine zwitterion;
serine		Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist
D-alanine[no description available]medium10alanine zwitterion;
alanine;
D-alpha-amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite
D-valine[no description available]medium10D-alpha-amino acid zwitterion;
D-alpha-amino acid;
valine
2-(methylamino)isobutyric acid[no description available]medium10alanine derivative;
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
secondary amino compound		human urinary metabolite
thiazolidine-4-carboxylic acid, (r)-isomer[no description available]medium10thiazolidinemonocarboxylic acid;
thioproline		geroprotector;
metabolite
proline[no description available]medium10amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid		algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
L-cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
prolinol[no description available]medium10
n-methylalanine[no description available]medium10amino acid zwitterion;
methyl-L-alanine
baclofen[no description available]medium180amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
sr 95531[no description available]medium30methoxybenzenes
3-hydroxycyclopent-1-enecarboxylic acid[no description available]medium40
bupropion[no description available]medium10aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
niacin[no description available]medium20pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
pyridoxine[no description available]medium20hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxine[no description available]medium21hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thiamine[no description available]medium10primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
phenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acebutolol[no description available]medium10aromatic 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
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohydroxamic acid[no description available]medium10acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
alaproclate[no description available]medium10alpha-amino acid ester
albendazole[no description available]medium10aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
albuterol[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alendronate[no description available]medium101,1-bis(phosphonic acid);
primary amino compound		bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
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]medium10organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
altretamine[no description available]medium10triamino-1,3,5-triazine
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ambenonium[no description available]medium10quaternary ammonium ionEC 3.1.1.8 (cholinesterase) inhibitor
diatrizoic acid[no description available]medium10acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
amifostine anhydrous[no description available]medium10diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent
p-aminohippuric acid[no description available]medium10N-acylglycineDaphnia magna metabolite
theophylline[no description available]medium10dimethylxanthineadenosine 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
amiodarone[no description available]medium101-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]medium10dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
amoxapine[no description available]medium10dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
anastrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
aspirin[no description available]medium10benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
atenolol[no description available]medium10ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine[no description available]medium10aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
bendazac[no description available]medium10indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger
bendroflumethiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
betaxolol[no description available]medium10propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bethanechol[no description available]medium10carbamate ester;
quaternary ammonium ion		muscarinic agonist
bicalutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
biperiden[no description available]medium10piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bisacodyl[no description available]medium10diarylmethane
bisoprolol[no description available]medium10secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bumetanide[no description available]medium10amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
buspirone[no description available]medium10azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
busulfan[no description available]medium10methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
secbutabarbital[no description available]medium10barbiturates
caffeine[no description available]medium10purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
verapamil[no description available]medium10aromatic ether;
nitrile;
polyether;
tertiary amino compound
candesartan[no description available]medium10benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
carbamazepine[no description available]medium10dibenzoazepine;
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
carbinoxamine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
carisoprodol[no description available]medium20carbamate estermuscle relaxant
carvedilol[no description available]medium10carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cetirizine[no description available]medium10ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
chlorambucil[no description available]medium10aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlorcyclizine[no description available]medium10diarylmethane
chlordiazepoxide[no description available]medium10benzodiazepine
chlormezanone[no description available]medium101,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant
chloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
chlorpheniramine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine[no description available]medium10organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorthalidone[no description available]medium10isoindoles;
monochlorobenzenes;
sulfonamide
chlorzoxazone[no description available]medium101,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
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]medium20aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
ciprofloxacin[no description available]medium10aminoquinoline;
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
citalopram[no description available]medium212-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clofibrate[no description available]medium10aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomiphene[no description available]medium10tertiary amineestrogen antagonist;
estrogen receptor modulator
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]medium101,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator
clonidine[no description available]medium20clonidine;
imidazoline
chlorazepate[no description available]medium101,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
clotrimazole[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
cyclobenzaprine[no description available]medium10carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
cyclofenil[no description available]medium10organic molecular entity
cyproheptadine[no description available]medium10piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
dapsone[no description available]medium10substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
deferoxamine[no description available]medium10acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
desipramine[no description available]medium10dibenzoazepine;
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
amphetamine[no description available]medium20primary amine
diazepam[no description available]medium601,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazoxide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
diclofenac[no description available]medium40amino 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
dichlorphenamide[no description available]medium10dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
dicyclomine[no description available]medium10carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
pentetic acid[no description available]medium10pentacarboxylic acidcopper chelator
diflunisal[no description available]medium10monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dimercaprol[no description available]medium10dithiol;
primary alcohol		chelator
diphenhydramine[no description available]medium20ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
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]medium10monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium30organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
valproic acid[no description available]medium30branched-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
donepezil[no description available]medium10aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
doxapram[no description available]medium10morpholines;
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
doxylamine[no description available]medium10pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
dyphylline[no description available]medium10oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
edrophonium[no description available]medium10phenols;
quaternary ammonium ion		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
estazolam[no description available]medium10triazoles;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA modulator
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
ethosuximide[no description available]medium10dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
ethotoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
etidronate[no description available]medium101,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
etodolac[no description available]medium10monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
brl 42810[no description available]medium102-aminopurines;
acetate ester		antiviral drug;
prodrug
felbamate[no description available]medium10carbamate esteranticonvulsant;
neuroprotective agent
felodipine[no description available]medium10dichlorobenzene;
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
fenoldopam[no description available]medium10benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
fenoprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fexofenadine[no description available]medium10piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
fipexide[no description available]medium10benzodioxoles
flavoxate[no description available]medium10carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
flecainide[no description available]medium10aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flucytosine[no description available]medium10aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
fluphenazine[no description available]medium10N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
flumazenil[no description available]medium10ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
fluorescite[no description available]medium10benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
fluorouracil[no description available]medium20nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flurazepam[no description available]medium101,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound		anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative
flurbiprofen[no description available]medium10fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
fomepizole[no description available]medium40pyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
foscarnet[no description available]medium10carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
furosemide[no description available]medium10chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gabapentin[no description available]medium20gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
glafenine[no description available]medium10aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
glimepiride[no description available]medium10sulfonamide
glipizide[no description available]medium10aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
glyburide[no description available]medium10monochlorobenzenes;
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
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester[no description available]medium10benzenes
granisetron[no description available]medium10aromatic amide;
indazoles
guaifenesin[no description available]medium10methoxybenzenes
guanethidine[no description available]medium10azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
guanfacine[no description available]medium10acetamides
guanidine[no description available]medium10carboxamidine;
guanidines;
one-carbon compound
haloperidol[no description available]medium20aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
hydralazine[no description available]medium10azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydrochlorothiazide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroflumethiazide[no description available]medium10benzothiadiazine;
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
hydroxyurea[no description available]medium10one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzine[no description available]medium10hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ibuprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine[no description available]medium10primary amine
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]medium10ifosfamidesalkylating 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
indapamide[no description available]medium10indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
indomethacin[no description available]medium10aromatic 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
ioversol[no description available]medium10amidobenzoic acid
iproniazid[no description available]medium10carbohydrazide;
pyridines
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isocarboxazid[no description available]medium10benzenes
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
isoxsuprine[no description available]medium10alkylbenzene
isradipine[no description available]medium10benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium10piperazines
ketamine[no description available]medium110cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen[no description available]medium10benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
ketorolac[no description available]medium10amino 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
lamotrigine[no description available]medium101,2,4-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]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
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
letrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lomefloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antimicrobial agent;
antitubercular agent;
photosensitizing agent
lomustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
loperamide[no description available]medium10monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
lorazepam[no description available]medium20benzodiazepine
lorazepam[no description available]medium21benzodiazepine
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
loxapine[no description available]medium10dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
maprotiline[no description available]medium10anthracenes
mebendazole[no description available]medium10aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
mecamylamine[no description available]medium10primary aliphatic amine
mechlorethamine[no description available]medium10nitrogen mustard;
organochlorine compound		alkylating agent
meclizine[no description available]medium10diarylmethane
meclofenamic acid[no description available]medium10aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
mefenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
memantine[no description available]medium10adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
mepenzolate[no description available]medium10diarylmethane
meperidine[no description available]medium10ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mephenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
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
mesoridazine[no description available]medium10phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
metaproterenol[no description available]medium10aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
metformin[no description available]medium10guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methadone[no description available]medium10benzenes;
diarylmethane;
ketone;
tertiary amino compound
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
methoxsalen[no description available]medium10aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
methyclothiazide[no description available]medium10benzothiadiazine
methylphenidate[no description available]medium10beta-amino acid ester;
methyl ester;
piperidines
metoclopramide[no description available]medium10benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metolazone[no description available]medium10organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
metoprolol[no description available]medium10aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]medium10C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
metyrapone[no description available]medium10aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
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
midodrine[no description available]medium10amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
milrinone[no description available]medium10bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
minoxidil[no description available]medium10dialkylarylamine;
tertiary amino compound
mirtazapine[no description available]medium10benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
mitotane[no description available]medium10diarylmethane
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
modafinil[no description available]medium20monocarboxylic acid amide;
sulfoxide
moxisylyte[no description available]medium10monoterpenoid
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nadolol[no description available]medium10tetralins
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
naratriptan[no description available]medium10heteroarylpiperidine;
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
nefazodone[no description available]medium10aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nialamide[no description available]medium10organonitrogen compound;
organooxygen compound
nicardipine[no description available]medium10benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nifedipine[no description available]medium10C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
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]medium102-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nisoldipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitroglycerin[no description available]medium10nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
nizatidine[no description available]medium101,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
nomifensine[no description available]medium10isoquinolinesdopamine uptake inhibitor
norfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
nortriptyline[no description available]medium10organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ofloxacin[no description available]medium103-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetron[no description available]medium10carbazoles
orphenadrine[no description available]medium10ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxaprozin[no description available]medium101,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxazepam[no description available]medium101,4-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
aminosalicylic acid[no description available]medium10aminobenzoic acid;
phenols		antitubercular agent
pamidronate[no description available]medium10phosphonoacetic acid
pantoprazole[no description available]medium10aromatic 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]medium10benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
pemoline[no description available]medium101,3-oxazolescentral nervous system stimulant
pentamidine[no description available]medium10aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
pentobarbital[no description available]medium20barbituratesGABAA receptor agonist
pentoxifylline[no description available]medium10oxopurine
perhexiline[no description available]medium10piperidinescardiovascular drug
perphenazine[no description available]medium10N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenobarbital[no description available]medium30barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenoxybenzamine[no description available]medium10aromatic amine
phentermine[no description available]medium10primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
4-phenylbutyric acid[no description available]medium10monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
pindolol[no description available]medium10indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
pioglitazone[no description available]medium10aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
polythiazide[no description available]medium10benzothiadiazine
duodote[no description available]medium10pyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
praziquantel[no description available]medium10isoquinolines
prazosin[no description available]medium10aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine[no description available]medium10aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
primidone[no description available]medium10pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
probenecid[no description available]medium20benzoic acids;
sulfonamide		uricosuric drug
procainamide[no description available]medium10benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procarbazine[no description available]medium10benzamides;
hydrazines		antineoplastic agent
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]medium10pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic 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]medium10aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
propantheline[no description available]medium10xanthenes
propofol[no description available]medium20phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propofol[no description available]medium21phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranolol[no description available]medium10naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
protriptyline[no description available]medium10carbotricyclic compoundantidepressant
pyridostigmine[no description available]medium10pyridinium ion
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
sch 16134[no description available]medium10benzodiazepine
quetiapine[no description available]medium10dibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine		adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
rabeprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
raloxifene[no description available]medium101-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
riluzole[no description available]medium10benzothiazoles
rimantadine[no description available]medium10alkylamine
risperidone[no description available]medium101,2-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
rizatriptan[no description available]medium10tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
ropinirole[no description available]medium10indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
salicylsalicylic acid[no description available]medium10benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
secobarbital[no description available]medium10barbituratesanaesthesia adjuvant;
GABA modulator;
sedative
sibutramine[no description available]medium10organochlorine compound;
tertiary amino compound		anti-obesity agent;
serotonin uptake inhibitor
sulfadiazine[no description available]medium10pyrimidines;
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]medium10pyridines
sotalol[no description available]medium10ethanolamines;
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
succinylcholine[no description available]medium20quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent
succinylcholine[no description available]medium21quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent
sulfamethizole[no description available]medium10sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfasalazine[no description available]medium10
sulfathiazole[no description available]medium101,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium10alkylbenzene
sumatriptan[no description available]medium10sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
temazepam[no description available]medium10benzodiazepine
temozolomide[no description available]medium10imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terazosin[no description available]medium10furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terbutaline[no description available]medium10phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
thalidomide[no description available]medium10phthalimides;
piperidones
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
thioridazine[no description available]medium10phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
thiotepa[no description available]medium10aziridines
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tinidazole[no description available]medium10imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tiopronin[no description available]medium10N-acyl-amino acid
tizanidine[no description available]medium10benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
tolazamide[no description available]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium10N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolmetin[no description available]medium10aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
ultram[no description available]medium10aromatic ether;
tertiary alcohol;
tertiary amino compound
tranexamic acid[no description available]medium10amino acid
trazodone[no description available]medium10monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triamterene[no description available]medium10pteridinesdiuretic;
sodium channel blocker
triazolam[no description available]medium10triazolobenzodiazepinesedative
trifluoperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
trihexyphenidyl[no description available]medium10amine
trimethadione[no description available]medium10oxazolidinoneanticonvulsant;
geroprotector
trimethobenzamide[no description available]medium10benzamides;
tertiary amino compound		antiemetic
trimethoprim[no description available]medium10aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
trimetrexate[no description available]medium10
trimipramine[no description available]medium10dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
troglitazone[no description available]medium10chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
tyramine[no description available]medium10monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
delavirdine[no description available]medium10aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor
venlafaxine[no description available]medium10cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
vigabatrin[no description available]medium40gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219[no description available]medium10carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zaleplon[no description available]medium10nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
zolpidem[no description available]medium20imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zonisamide[no description available]medium101,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
cortisone acetate[no description available]medium10corticosteroid hormone
mitomycin[no description available]medium10mitomycinalkylating agent;
antineoplastic agent
prednisolone[no description available]medium1011beta-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
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
phentolamine[no description available]medium10imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
sorbitol[no description available]medium10glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
thyroxine[no description available]medium102-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
dextroamphetamine[no description available]medium101-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
spironolactone[no description available]medium103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
prednisone[no description available]medium1011-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
estrone[no description available]medium1017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
oxandrolone[no description available]medium1017beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid		anabolic agent;
androgen
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
pilocarpine[no description available]medium10pilocarpineantiglaucoma drug
triiodothyronine[no description available]medium102-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
chloramphenicol[no description available]medium10C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
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]medium10acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
physostigmine[no description available]medium40carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
methyltestosterone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
tetrabenazine[no description available]medium10benzoquinolizine;
cyclic ketone;
tertiary amino compound
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
edetic acid[no description available]medium20ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
cysteamine[no description available]medium10amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
acetylcholine chloride[no description available]medium10quaternary ammonium salt
mepazine[no description available]medium10phenothiazines
cloxacillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
calcium acetate[no description available]medium10calcium saltchelator
methionine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
mebanazine[no description available]medium10benzenes
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
benziodarone[no description available]medium10aromatic ketone
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
mannitol[no description available]medium10mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
cytarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
arginine[no description available]medium20arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
perflutren[no description available]medium10fluoroalkane;
fluorocarbon
fluoxymesterone[no description available]medium1011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid		anabolic agent;
antineoplastic agent
methsuximide[no description available]medium10organic molecular entity
tromethamine[no description available]medium10primary amino compound;
triol		buffer
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
brompheniramine[no description available]medium10organobromine compound;
pyridines		anti-allergic agent;
H1-receptor antagonist
penicillin v[no description available]medium10penicillin allergen;
penicillin
isosorbide dinitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
pseudoephedrine[no description available]medium10phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
diethylpropion[no description available]medium20aromatic ketone;
tertiary amine		appetite depressant
benzonatate[no description available]medium10benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive
methylergonovine[no description available]medium10ergoline alkaloid
cinchophen[no description available]medium10quinolines
nafcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
methohexital[no description available]medium10acetylenic compound;
barbiturates		drug allergen;
intravenous anaesthetic
ephedrine[no description available]medium10phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
aminophylline[no description available]medium10mixturebronchodilator agent;
cardiotonic drug
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
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
nandrolone decanoate[no description available]medium10steroid ester
dextropropoxyphene[no description available]medium101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
chenodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
dihydroergotamine[no description available]medium10ergot alkaloid;
semisynthetic derivative		dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
medroxyprogesterone[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive
dimenhydrinate[no description available]medium10diarylmethane
methamphetamine[no description available]medium50amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
levocarnitine[no description available]medium10carnitineantilipemic drug;
nootropic agent;
nutraceutical;
Saccharomyces cerevisiae metabolite;
water-soluble vitamin (role)
sulfanilylurea[no description available]medium10benzenes;
sulfonamide
lactulose[no description available]medium10glycosylfructosegastrointestinal drug;
laxative
pamabrom[no description available]medium10
acetylcysteine[no description available]medium10acetylcysteine;
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
erythromycin[no description available]medium10cyclic 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
diphenoxylate[no description available]medium10ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine		antidiarrhoeal drug
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
vancomycin[no description available]medium10glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
d-alpha tocopherol[no description available]medium10alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
ibufenac[no description available]medium10monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
metaxalone[no description available]medium10aromatic ether
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]medium40benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
amiloride[no description available]medium10aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
pimozide[no description available]medium10benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
dexbrompheniramine[no description available]medium10brompheniramineanti-allergic agent;
H1-receptor antagonist
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]medium10dichlorobenzene;
penicillin		antibacterial drug
megestrol[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
streptomycin[no description available]medium20antibiotic 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
clomacran[no description available]medium10acridines
methenamine hippurate[no description available]medium10N-acylglycine
olsalazine[no description available]medium10azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
sodium thiosulfate[no description available]medium10inorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
clemastine[no description available]medium10monochlorobenzenes;
N-alkylpyrrolidine		anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
cephalexin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
danazol[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
fenclozic acid[no description available]medium10
laxagetten 4,4'-diacetoxydiphenylpyridylemethane[no description available]medium10
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
alclofenac[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bromocriptine[no description available]medium10indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
oxyphenisatin[no description available]medium10indoles
fludrocortisone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
fluorinated steroid;
mineralocorticoid		adrenergic agent;
anti-inflammatory drug
ursodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
dexchlorpheniramine[no description available]medium10chlorphenamine
clometacin[no description available]medium10N-acylindole
cefazolin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
amoxicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium10timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
oxcarbazepine[no description available]medium10cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
carbidopa[no description available]medium10catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
moricizine[no description available]medium10carbamate ester;
morpholines;
phenothiazines		anti-arrhythmia drug
amineptin[no description available]medium20amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
pirprofen[no description available]medium10pyrroline
paclitaxel[no description available]medium10taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
dobutamine[no description available]medium10catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
penbutolol[no description available]medium10ethanolamines
ribavirin[no description available]medium101-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
amikacin[no description available]medium10alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
ticrynafen[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
methyldopa[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
diltiazem[no description available]medium105-[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[no description available]medium10acetate ester;
androstane;
quaternary ammonium ion		drug allergen;
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
benoxaprofen[no description available]medium101,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
exifone[no description available]medium10benzophenones
mefloquine[no description available]medium10[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
nitazoxanide[no description available]medium10benzamides;
carboxylic ester
sufentanil[no description available]medium10anilide;
ether;
piperidines;
thiophenes		anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
acarbose[no description available]medium10tetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
torsemide[no description available]medium10aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
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
idarubicin[no description available]medium10anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
piperacillin[no description available]medium20penicillin allergen;
penicillin		antibacterial drug
paroxetine[no description available]medium10aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
captopril[no description available]medium10alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone[no description available]medium10cephalosporinantibacterial drug
atracurium[no description available]medium10diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
pergolide[no description available]medium10diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist
cefadroxil anhydrous[no description available]medium10cephalosporinantibacterial drug
fialuridine[no description available]medium10
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
alfentanil[no description available]medium10monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
miglustat[no description available]medium10piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
haloperidol decanoate[no description available]medium10organic molecular entity
cefotetan[no description available]medium10
lovastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
tolrestat[no description available]medium10naphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor
simvastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
balsalazide[no description available]medium10
pravastatin[no description available]medium103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
cabergoline[no description available]medium10N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
atomoxetine[no description available]medium10aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
quinapril[no description available]medium10dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
alpidem[no description available]medium10imidazoles
mifepristone[no description available]medium103-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
fosphenytoin[no description available]medium10imidazolidine-2,4-dione
ranolazine[no description available]medium10aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol
finasteride[no description available]medium103-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
esmolol[no description available]medium10aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
adefovir[no description available]medium106-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
aromasil[no description available]medium1017-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
zileuton[no description available]medium101-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
clopidogrel[no description available]medium10methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
cidofovir anhydrous[no description available]medium10phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
tiagabine[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
topotecan[no description available]medium10pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
bromfenac[no description available]medium10aromatic 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
atorvastatin[no description available]medium10aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
lamivudine[no description available]medium10monothioacetal;
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
duloxetine[no description available]medium10duloxetine
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]medium10biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
ibandronic acid[no description available]medium10
ziprasidone[no description available]medium101,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
zolmitriptan[no description available]medium10oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
emtricitabine[no description available]medium10monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor
tasosartan[no description available]medium10biphenyls
tiludronic acid[no description available]medium10organochlorine compound
tirofiban[no description available]medium10L-tyrosine derivative;
piperidines;
sulfonamide		anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
capecitabine[no description available]medium10carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug
adenosine[no description available]medium10adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
trovafloxacin[no description available]medium10
cefprozil[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
efavirenz[no description available]medium10acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium10aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
fenofibric acid[no description available]medium10aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic metabolite
plerixafor[no description available]medium10azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
oseltamivir[no description available]medium10acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
histamine phosphate[no description available]medium10phosphate salthistamine agonist
tilbroquinol[no description available]medium10organohalogen compound;
quinolines
bendamustine[no description available]medium10benzimidazoles
droxicam[no description available]medium10organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug
ebrotidine[no description available]medium10sulfonamide
repaglinide[no description available]medium10piperidines
telmisartan[no description available]medium10benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
sertraline[no description available]medium10dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
acamprosate[no description available]medium20acetamides;
organosulfonic acid		environmental contaminant;
neurotransmitter agent;
xenobiotic
isaxonine[no description available]medium10aminopyrimidine
nebivolol[no description available]medium10chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
uk 68798[no description available]medium10aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
hp 873[no description available]medium101,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
dexrazoxane[no description available]medium10razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
fenoxypropazine[no description available]medium10aromatic ether
voriconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
aceclofenac[no description available]medium10amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
nitrefazole[no description available]medium10imidazoles
doripenem[no description available]medium10carbapenems
atovaquone[no description available]medium10hydroxy-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]medium10carbazoles
eletriptan[no description available]medium10indoles;
N-alkylpyrrolidine;
sulfone		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
rosiglitazone[no description available]medium10aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
bexarotene[no description available]medium10benzoic acids;
naphthalenes;
retinoid		antineoplastic agent
clarithromycin[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
moexipril[no description available]medium10peptide
mci 9038[no description available]medium10peptide
fulvestrant[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
perindopril[no description available]medium10alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
tadalafil[no description available]medium10benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
paliperidone[no description available]medium101,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
nitisinone[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione		EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
clofarabine[no description available]medium10adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
pramipexole[no description available]medium10benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
valdecoxib[no description available]medium10isoxazoles;
sulfonamide		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
almotriptan[no description available]medium10indoles;
sulfonamide;
tertiary amine		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
gefitinib[no description available]medium10aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
desvenlafaxine[no description available]medium10cyclohexanols;
phenols;
tertiary amino compound		antidepressant;
drug metabolite;
marine xenobiotic metabolite
methotrexate[no description available]medium10dicarboxylic 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
tamsulosin[no description available]medium105-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
rufinamide[no description available]medium10aromatic amide;
heteroarene
olmesartan medoxomil[no description available]medium10biphenyls
dexpanthenol[no description available]medium10amino alcohol;
monocarboxylic acid amide		cholinergic drug;
provitamin
fosamprenavir[no description available]medium10sulfonamideprodrug
febuxostat[no description available]medium101,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
escitalopram[no description available]medium101-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileantidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
10-propargyl-10-deazaaminopterin[no description available]medium10N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel anhydrous[no description available]medium10secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
atazanavir[no description available]medium10carbohydrazideantiviral drug;
HIV protease inhibitor
levofloxacin[no description available]medium109-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
ezetimibe[no description available]medium10azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
ertapenem[no description available]medium10carbapenemcarboxylic acid;
pyrrolidinecarboxamide		antibacterial drug
cox 189[no description available]medium10amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
conivaptan[no description available]medium10benzazepineaquaretic;
vasopressin receptor antagonist
moxifloxacin[no description available]medium10aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
pralnacasan[no description available]medium10
clevidipine[no description available]medium10dihydropyridine
solifenacin[no description available]medium10isoquinolines
dexmethylphenidate[no description available]medium10methyl phenyl(piperidin-2-yl)acetateadrenergic agent
naproxen[no description available]medium10methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
cinacalcet[no description available]medium10(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound		calcimimetic;
P450 inhibitor
lubiprostone[no description available]medium10
telbivudine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
paromomycin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
anidulafungin[no description available]medium10antibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative
17 alpha-hydroxyprogesterone caproate[no description available]medium10corticosteroid hormone
varenicline[no description available]medium10
fiduxosin[no description available]medium10
atropine[no description available]medium10
erlotinib[no description available]medium10aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
etravirine[no description available]medium10aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
dronedarone[no description available]medium101-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
ramelteon[no description available]medium10indanes
lapatinib[no description available]medium10furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
darunavir[no description available]medium10carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
deferasirox[no description available]medium10benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
tbc-11251[no description available]medium10benzodioxoles
tolvaptan[no description available]medium10benzazepine;
benzenedicarboxamide		aquaretic;
vasopressin receptor antagonist
sorafenib[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
lenalidomide[no description available]medium10aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
regadenoson[no description available]medium10purine nucleoside
lacosamide[no description available]medium10N-acyl-amino acid
vincaleukoblastine[no description available]medium10acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
benzarone[no description available]medium101-benzofurans
estramustine[no description available]medium1017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
ritonavir[no description available]medium101,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
oxytocin[no description available]medium20heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
oxytocin[no description available]medium21heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
pentostatin[no description available]medium10coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
quinidine[no description available]medium10cinchona 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
griseofulvin[no description available]medium101-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
cefoxitin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
saquinavir[no description available]medium10L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
pancuronium[no description available]medium10acetate ester;
steroid ester		cholinergic antagonist;
muscle relaxant;
nicotinic antagonist
abacavir[no description available]medium102,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
miglitol[no description available]medium10piperidines
metyrosine[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
clindamycin phosphate[no description available]medium10
eplerenone[no description available]medium103-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester		aldosterone antagonist;
antihypertensive agent
tolterodine[no description available]medium10tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
darifenacin[no description available]medium101-benzofurans;
monocarboxylic acid amide;
pyrrolidines		antispasmodic drug;
muscarinic antagonist
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
retinol[no description available]medium10retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
tacrolimus[no description available]medium10macrolide lactambacterial metabolite;
immunosuppressive agent
rosuvastatin[no description available]medium10dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
mycophenolic acid[no description available]medium102-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
clindamycin[no description available]medium10
fosfomycin[no description available]medium10epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
octreotide[no description available]medium10
eptifibatide[no description available]medium10homodetic cyclic peptide;
macrocycle;
organic disulfide		anticoagulant;
platelet aggregation inhibitor
decitabine[no description available]medium102'-deoxyribonucleoside
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
dactinomycin[no description available]medium10actinomycinmutagen
melphalan[no description available]medium10L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
micafungin[no description available]medium10antibiotic antifungal drug;
echinocandin		antiinfective agent
riboflavin[no description available]medium10flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
sodium bicarbonate[no description available]medium10one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
arsenic trioxide[no description available]medium10arsenic oxideantineoplastic agent;
insecticide
sr 90107[no description available]medium10
meglumine iodipamide[no description available]medium10organoammonium saltradioopaque medium
thyrotropin-releasing hormone[no description available]medium10peptide hormone;
tripeptide		human metabolite
arginine vasopressin[no description available]medium10vasopressincardiovascular drug;
hematologic agent;
mitogen
s 1033[no description available]medium10(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
propylthiouracil[no description available]medium10pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
etomidate[no description available]medium10ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
pyrantel[no description available]medium101,4,5,6-tetrahydropyrimidines;
carboxamidine;
thiophenes		antinematodal drug
thiothixene[no description available]medium10N-methylpiperazineanticoronaviral agent
eszopiclone[no description available]medium10zopiclonecentral nervous system depressant;
sedative
benztropine[no description available]medium10diarylmethane
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
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
terbinafine[no description available]medium10acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
succimer[no description available]medium10dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid		chelator
digoxin[no description available]medium10cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
streptozocin[no description available]medium10
tamoxifen[no description available]medium10stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
ethionamide[no description available]medium10pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
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
ranitidine[no description available]medium10C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
aplaviroc[no description available]medium10
hmr 3647[no description available]medium10
maraviroc[no description available]medium10tropane alkaloid
toremifene[no description available]medium10aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
nelarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
dermatan sulfate[no description available]medium10amino disaccharide;
glycosylgalactose derivative;
iduronic acids;
oligosaccharide sulfate
dolasetron[no description available]medium10indolyl carboxylic acid
orlistat[no description available]medium10beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
quinine[no description available]medium10cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
fospropofol[no description available]medium10alkylbenzene
rasagiline[no description available]medium10indanes;
secondary amine;
terminal acetylenic compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent
dasatinib[no description available]medium101,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
sitagliptin[no description available]medium10triazolopyrazine;
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
calcitriol[no description available]medium10D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
vitamin d 2[no description available]medium10hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
pulmicort[no description available]medium1011beta-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
oxymetholone[no description available]medium10
eprosartan[no description available]medium10dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
montelukast[no description available]medium10aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
mivacurium[no description available]medium10isoquinolines
hemabate[no description available]medium10
mycophenolate mofetil[no description available]medium10carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacapone[no description available]medium102-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]medium10hydroxy seco-steroid;
seco-cholestane		antiparathyroid drug
7432 s[no description available]medium10cephalosporin;
dicarboxylic acid		antibacterial drug
isotretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
epoprostenol[no description available]medium10prostaglandins Imouse metabolite
indocyanine green[no description available]medium101,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
triprolidine[no description available]medium10N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
pitavastatin[no description available]medium10cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant
ethamolin[no description available]medium10long-chain fatty acid
alatrofloxacin mesylate[no description available]medium10
codeine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
cyclosporine[no description available]medium10homodetic 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
acitretin[no description available]medium10acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
estropipate[no description available]medium10piperazinium salt;
steroid sulfate
hydromorphone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic
levetiracetam[no description available]medium10pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
ly 163892[no description available]medium10carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
nabilone[no description available]medium10
naloxone[no description available]medium10morphinane 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
oxymorphone[no description available]medium10morphinane alkaloid
vitamin k 1[no description available]medium10phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite
sirolimus[no description available]medium10antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
topiramate[no description available]medium20cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
trospium chloride[no description available]medium10
morphine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
benzphetamine[no description available]medium10amphetamines;
tertiary amine		adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent
deamino arginine vasopressin[no description available]medium10heterodetic cyclic peptidediagnostic agent;
renal agent;
vasopressin receptor agonist
dexmedetomidine[no description available]medium10medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
goserelin[no description available]medium10organic molecular entity
nalbuphine[no description available]medium10organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
nateglinide[no description available]medium10phenylalanine derivative
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
silodosin[no description available]medium10indolecarboxamide
fluvoxamine[no description available]medium10(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
su 11248[no description available]medium10monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium10dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
levorphanol[no description available]medium10morphinane alkaloid
naltrexone[no description available]medium60cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
naltrexone[no description available]medium62cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
dextromethorphan[no description available]medium306-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
butorphanol[no description available]medium20morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
cefixime[no description available]medium10cephalosporinantibacterial drug;
drug allergen
lisinopril[no description available]medium10dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril[no description available]medium10benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
ramipril[no description available]medium10azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
verteporfin[no description available]medium10
indinavir sulfate[no description available]medium10dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
zimeldine[no description available]medium10styrenes
enalapril[no description available]medium10dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
trientine hydrochloride[no description available]medium10
n-methylscopolamine bromide[no description available]medium10
bleomycin[no description available]medium10bleomycinantineoplastic agent;
metabolite
enalaprilat anhydrous[no description available]medium10dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ximelagatran[no description available]medium10amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
cefuroxime[no description available]medium103-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen
ceftriaxone[no description available]medium101,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug
pafuramidine[no description available]medium10
ceftazidime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
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
pregabalin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker
alvimopan anhydrous[no description available]medium10peptide
aliskiren[no description available]medium10monocarboxylic acid amide;
monomethoxybenzene		antihypertensive agent
famotidine[no description available]medium101,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cefotaxime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
aztreonam[no description available]medium10beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cefpodoxime[no description available]medium10carboxylic acid;
cephalosporin		antibacterial drug
palonosetron[no description available]medium10azabicycloalkane;
delta-lactam;
organic heterotricyclic compound		antiemetic;
serotonergic antagonist
rifaximin[no description available]medium10acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative		antimicrobial agent;
gastrointestinal drug;
orphan drug
everolimus[no description available]medium10cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
ixabepilone[no description available]medium101,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
ceftizoxime[no description available]medium10cephalosporinantibacterial drug
1-methyl-d-lysergic acid butanolamide[no description available]medium10ergot alkaloid;
monocarboxylic acid amide		serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
nitrofurantoin[no description available]medium10imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
dantrolene[no description available]medium10
cefdinir[no description available]medium10cephalosporin;
ketoxime		antibacterial drug
etonogestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin
temsirolimus[no description available]medium10macrolide lactam
dutasteride[no description available]medium10(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam		antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
lu 208075[no description available]medium10diarylmethane
bibx 1382bs[no description available]medium10substituted aniline
fesoterodine[no description available]medium10diarylmethane
gemifloxacin[no description available]medium101,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
dexlansoprazole[no description available]medium10benzimidazoles;
sulfoxide
fosinopril[no description available]medium10
armodafinil[no description available]medium102-[(diphenylmethyl)sulfinyl]acetamidecentral nervous system stimulant;
eugeroic
sincalide[no description available]medium10oligopeptide
tapentadol[no description available]medium10alkylbenzene
pentagastrin[no description available]medium10organic molecular entity
cefditoren[no description available]medium10carboxylic acid;
cephalosporin		antibacterial drug
pazopanib[no description available]medium10aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
prasugrel hydrochloride[no description available]medium10
baci-im[no description available]medium10homodetic cyclic peptide;
polypeptide;
zwitterion		antibacterial agent;
antimicrobial agent
bms 477118[no description available]medium10adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
nystatin a1[no description available]medium10nystatins
milnacipran[no description available]medium10acetamides
scopolamine hydrobromide[no description available]medium10
bivalirudin[no description available]medium10polypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
enfuvirtide[no description available]medium10
ganirelix[no description available]medium10polypeptide
teriparatide[no description available]medium10polypeptide
salmon calcitonin[no description available]medium10heterodetic cyclic peptide;
peptide hormone;
polypeptide		bone density conservation agent;
metabolite
ly-146032[no description available]medium10heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide		antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide[no description available]medium10polypeptide
exenatide[no description available]medium10
mesna[no description available]medium10organosulfonic acid
sodium iothalamate[no description available]medium10
cetrorelix[no description available]medium10oligopeptideantineoplastic agent;
GnRH antagonist
ascorbic acid[no description available]medium20ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
raltegravir[no description available]medium101,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide		antiviral drug;
HIV-1 integrase inhibitor
tetracycline[no description available]medium10
oxytetracycline, anhydrous[no description available]medium10
minocycline[no description available]medium10
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
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
warfarin[no description available]medium20benzenes;
hydroxycoumarin;
methyl ketone
demeclocycline[no description available]medium10
tipranavir[no description available]medium10sulfonamideantiviral drug;
HIV protease inhibitor
tigecycline[no description available]medium10
fertinex[no description available]medium10
entecavir[no description available]medium102-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
folic acid[no description available]medium20folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
rifampin[no description available]medium10cyclic 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
clozapine[no description available]medium10benzodiazepine;
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
dacarbazine[no description available]medium10dacarbazine
didanosine[no description available]medium10purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
valacyclovir[no description available]medium10L-valyl esterantiviral drug
sildenafil[no description available]medium10piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
olanzapine[no description available]medium20benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
vardenafil[no description available]medium10imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine		EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
allopurinol[no description available]medium10nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
citrovorum factor[no description available]medium10tetrahydrofolic acid
leucovorin[no description available]medium10formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
rifapentine[no description available]medium10N-alkylpiperazine;
N-iminopiperazine;
rifamycins		antitubercular agent;
leprostatic drug
bl 4162a[no description available]medium10imidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor
tegaserod[no description available]medium10carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist
pemetrexed[no description available]medium10N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
valganciclovir[no description available]medium10L-valyl ester;
purines		antiviral drug;
prodrug
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
fosaprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles		antiemetic;
neurokinin-1 receptor antagonist;
prodrug
rifabutin[no description available]medium10
levomefolate calcium[no description available]medium10organic calcium saltantidepressant
4-hydroxyphenylacetic acid[no description available]medium10monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
2-hydroxyphenylacetic acid[no description available]medium10hydroxy monocarboxylic acid;
phenols		human metabolite;
mouse metabolite
4'-hydroxydiclofenac[no description available]medium10dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
e-z cinnamic acid[no description available]medium10cinnamic acidplant metabolite
trans-4-coumaric acid[no description available]medium104-coumaric acidfood component;
mouse metabolite;
plant metabolite
5-hydroxydiclofenac[no description available]medium20dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
sodium oxybate[no description available]medium361
cobicistat[no description available]medium111,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas		P450 inhibitor
3-nitrophenylhydrazine[no description available]medium10
carnitine[no description available]medium20amino-acid betainehuman metabolite;
mouse metabolite
phosphorus[no description available]medium10monoatomic phosphorus;
nonmetal atom;
pnictogen		macronutrient
gamma-valerolactone[no description available]medium10butan-4-olideflavouring agent;
human xenobiotic metabolite
kynurenine[no description available]medium11aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline		human metabolite
tryptophan[no description available]medium11erythrose 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
ncs 382[no description available]medium170
3-hydroxydodecanoic acid[no description available]medium103-hydroxy fatty acid;
medium-chain fatty acid
aspartic acid[no description available]medium10aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
fluorides[no description available]medium10halide anion;
monoatomic fluorine
cyclopentane[no description available]medium50cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
nalmefene[no description available]medium10morphinane alkaloid
sucrose[no description available]medium10glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
mephedrone[no description available]medium20amphetamines;
aromatic ketone;
secondary amino compound		environmental contaminant;
xenobiotic
acetic acid[no description available]medium10monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
cocaethylene[no description available]medium10benzoate ester
cocaine[no description available]medium50benzoate 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
benzoylecgonine[no description available]medium10benzoate ester;
tropane alkaloid		epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite
bromochloroacetic acid[no description available]medium102-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
4-methylethcathinone[no description available]medium10aromatic ketone
deuterium[no description available]medium20dihydrogen
sodium sulfate[no description available]medium10inorganic sodium salt
glycerol[no description available]medium30alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
beta-hydroxyvaleric acid[no description available]medium303-hydroxy fatty acid;
ketone body;
short-chain fatty acid
hydracrylic acid[no description available]medium803-hydroxy monocarboxylic acid;
omega-hydroxy-short-chain fatty acid		Escherichia coli metabolite;
human metabolite
lactic acid[no description available]medium1502-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
acetyl coenzyme a[no description available]medium50acyl-CoAacyl donor;
coenzyme;
effector;
fundamental metabolite
monastrol[no description available]medium10enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor
catechin[no description available]medium10catechinantioxidant;
plant metabolite
n-methyl-3,4-methylenedioxyamphetamine[no description available]medium60amphetamines;
benzodioxoles		neurotoxin
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
s-adenosylhomocysteine[no description available]medium10adenosines;
amino acid zwitterion;
homocysteine derivative;
homocysteines;
organic sulfide		cofactor;
EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor;
EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor;
epitope;
fundamental metabolite
glutathione disulfide[no description available]medium10glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite
succinic semialdehyde[no description available]medium30aldehydic acidEscherichia coli metabolite;
mouse metabolite
glutamic acid[no description available]medium50glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
malonic semialdehyde[no description available]medium20aldehydic acid
nadp[no description available]medium20
malondialdehyde[no description available]medium20dialdehydebiomarker
tetrabutylammonium[no description available]medium10quaternary ammonium ion
ammonium hydroxide[no description available]medium10azane;
gas molecular entity;
mononuclear parent hydride		EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant
sulfur[no description available]medium10chalcogen;
nonmetal atom		macronutrient
nitrates[no description available]medium10monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
dehydroepiandrosterone[no description available]medium1117-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite
aldosterone[no description available]medium1111beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde		human metabolite;
mouse metabolite
phenyl acetate[no description available]medium30benzenes;
phenyl acetates
4-hydroxybutyryl-coenzyme a[no description available]medium10hydroxyacyl-CoA
succinic acid[no description available]medium50alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid		anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
crotonyl-coenzyme a[no description available]medium10but-2-enoyl-CoA
methanol[no description available]medium20alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
3-methylmethcathinone[no description available]medium10
iridium[no description available]medium10cobalt group element atom;
platinum group metal atom
boron[no description available]medium10boron group element atom;
metalloid atom;
nonmetal atom		micronutrient
alkenes[no description available]medium10
3-hydroxyhexanoic acid[no description available]medium203-hydroxy monocarboxylic acid
penicillanic acid[no description available]medium10penicillanic acids
tazobactam[no description available]medium10penicillanic acids;
triazoles		antiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
pantoic acid[no description available]medium10pantoic acid
maleic acid[no description available]medium10butenedioic acidalgal metabolite;
mouse metabolite;
plant metabolite
cetyltrimethylammonium ion[no description available]medium10quaternary ammonium ion
fentanyl[no description available]medium21anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
D-fructopyranose[no description available]medium10cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent
acryloyl-coenzyme a[no description available]medium102-enoyl-CoA;
monounsaturated fatty acyl-CoA		mouse metabolite
chlormethiazole[no description available]medium11thiazoles
succinyl-coenzyme a[no description available]medium20omega-carboxyacyl-CoAEscherichia coli metabolite;
inhibitor;
mouse metabolite
flunitrazepam[no description available]medium501,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative
flunitrazepam[no description available]medium511,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative
azides[no description available]medium20pseudohalide anionmitochondrial respiratory-chain inhibitor
4-hydroxy-2-nonenal[no description available]medium104-hydroxynon-2-enal;
4-hydroxynonenal
mebeverine[no description available]medium10
ferulic acid[no description available]medium10ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
pyrazole[no description available]medium10pyrazole
nitrous oxide[no description available]medium20gas molecular entity;
nitrogen oxide		analgesic;
bacterial metabolite;
food packaging gas;
food propellant;
general anaesthetic;
greenhouse gas;
inhalation anaesthetic;
NMDA receptor antagonist;
raising agent;
refrigerant;
vasodilator agent
1,3-propanediol[no description available]medium10propane-1,3-diolsmetabolite;
protic solvent
pyrrolidonecarboxylic acid[no description available]medium215-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid		algal metabolite
glutaric acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		Daphnia magna metabolite;
human metabolite
mevalonic acid[no description available]medium103,5-dihydroxy-3-methylpentanoic acid
pyrroles[no description available]medium10pyrrole;
secondary amine
transforming growth factor beta[no description available]medium10
alpha-aminobutyric acid[no description available]medium10alpha-aminobutyric acid;
D-alpha-amino acid
pantothenic acid[no description available]medium10pantothenic acid;
vitamin B5		antidote to curare poisoning;
geroprotector;
human blood serum metabolite
butyric acid[no description available]medium10fatty acid 4:0;
straight-chain saturated fatty acid		human urinary metabolite;
Mycoplasma genitalium metabolite
dextromoramide[no description available]medium10morpholines;
N-acylpyrrolidine		opioid analgesic
thiopental[no description available]medium10barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
nicotine[no description available]medium103-(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
cgp 35348[no description available]medium20
guanosine 5'-o-(3-thiotriphosphate)[no description available]medium20nucleoside triphosphate analogue
dithiothreitol[no description available]medium101,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent
sk&f 97541[no description available]medium10
organophosphonates[no description available]medium10divalent inorganic anion;
phosphite ion
kaempferol[no description available]medium107-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
sodium dodecyl sulfate[no description available]medium10organic sodium saltdetergent;
protein denaturant
lysergic acid diethylamide[no description available]medium10ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound		dopamine agonist;
hallucinogen;
serotonergic agonist
xylazine[no description available]medium101,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
ethylene glycol[no description available]medium10ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
glycolic acid[no description available]medium102-hydroxy monocarboxylic acid;
primary alcohol		keratolytic drug;
metabolite
n,n-bis(trimethylsilyl)-2,2,2-trifluoroacetamide[no description available]medium20
3-hydroxyoctanoic acid[no description available]medium103-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
medium-chain fatty acid
myrmicacin[no description available]medium103-hydroxy fatty acid;
medium-chain fatty acid		antimitotic;
Escherichia coli metabolite
caprylates[no description available]medium10fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite
n-pentanoic acid[no description available]medium20short-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
uracil[no description available]medium30pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
tegafur[no description available]medium30organohalogen compound;
pyrimidines
uftoral[no description available]medium20
valerates[no description available]medium10short-chain fatty acid anion;
straight-chain saturated fatty acid anion		plant metabolite
dizocilpine maleate[no description available]medium10maleate salt;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
cgp 54626[no description available]medium10
alpha-hydroxyglutarate[no description available]medium202-hydroxydicarboxylic acid;
dicarboxylic fatty acid		metabolite;
mouse metabolite
salicylic acid[no description available]medium10monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
tiapamil hydrochloride[no description available]medium10
tetrahydrofuran[no description available]medium20cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound		polar aprotic solvent
urea[no description available]medium10isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
zopiclone[no description available]medium10monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
tramadol[no description available]medium202-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
oripavine[no description available]medium10ether;
morphinane alkaloid;
organic heteropentacyclic compound;
organic hydroxy compound;
tertiary amino compound		bacterial xenobiotic metabolite;
opioid analgesic
buprenorphine[no description available]medium20morphinane alkaloiddelta-opioid receptor antagonist;
kappa-opioid receptor antagonist;
mu-opioid receptor agonist;
opioid analgesic
thebaine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound
carbenoxolone sodium[no description available]medium10triterpenoid
p-chloromercuribenzoic acid[no description available]medium10chlorine molecular entity;
mercuribenzoic acid
alpha-cyano-4-hydroxycinnamate[no description available]medium10
pentylenetetrazole[no description available]medium20organic heterobicyclic compound;
organonitrogen heterocyclic compound
chitosan[no description available]medium10
hydrogen carbonate[no description available]medium10carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
coumarin[no description available]medium10coumarinsfluorescent dye;
human metabolite;
plant metabolite
ganaxolone[no description available]medium10corticosteroid hormone
pregnanolone[no description available]medium203-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid		human metabolite;
intravenous anaesthetic;
sedative
alphaxalone[no description available]medium20corticosteroid hormone
tert-butylbicyclophosphorothionate[no description available]medium10organic thiophosphate
desoxycorticosterone[no description available]medium3020-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
tetrahydrodeoxycorticosterone[no description available]medium3021-hydroxy steroid
metadoxine[no description available]medium11
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
potassium chloride[no description available]medium10inorganic chloride;
inorganic potassium salt;
potassium salt		fertilizer
fluorodeoxyglucose f18[no description available]medium102-deoxy-2-((18)F)fluoro-D-glucose;
2-deoxy-2-fluoro-aldehydo-D-glucose
trimethylchlorosilane[no description available]medium10silyl chloridechromatographic reagent
ethyl acetate[no description available]medium10acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
coenzyme a[no description available]medium10adenosine 3',5'-bisphosphatecoenzyme;
Escherichia coli metabolite;
mouse metabolite
hexarelin[no description available]medium10
neostigmine[no description available]medium10quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
dansyl chloride[no description available]medium10aminonaphthalene;
sulfonic acid derivative
4-chloroaniline[no description available]medium10chloroaniline;
monochlorobenzenes
benzoic acid[no description available]medium10benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
nordazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
fenproporex[no description available]medium10amphetamines
pentazocine[no description available]medium10benzazocine
4-methylthioamphetamine[no description available]medium10
chloral hydrate[no description available]low00aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
midazolam hydrochloride[no description available]low00hydrochloride;
imidazobenzodiazepine		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
1-(1-phenylcyclohexyl)pyrrolidine[no description available]low00pyrrolidines;
tertiary amine		general anaesthetic;
hallucinogen;
NMDA receptor antagonist
tricaine[no description available]low00methanesulfonate saltgeneral anaesthetic
benzquinamide[no description available]low00monocarboxylic acid amideantiemetic;
antipsychotic agent;
H1-receptor antagonist;
muscarinic antagonist;
sedative
butalbital[no description available]low00barbituratesanalgesic;
sedative
ethinamate[no description available]low00carbamate ester;
terminal acetylenic compound		sedative
methapyrilene[no description available]low00ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
mianserin[no description available]low00dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
nimetazepam[no description available]low001,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
nitrazepam[no description available]low001,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
periciazine[no description available]low00hydroxypiperidine;
nitrile;
phenothiazines		adrenergic antagonist;
first generation antipsychotic;
sedative
propiomazine[no description available]low00aromatic ketone;
phenothiazines;
tertiary amino compound		dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist
promethazine hydrochloride[no description available]low00hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
methaqualone[no description available]low00quinazolinesGABA agonist;
sedative
methapyrilene hydrochloride[no description available]low00hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
diphenhydramine hydrochloride[no description available]low00hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
terpinolene[no description available]low00p-menthadieneinsect repellent;
plant metabolite;
sedative;
volatile oil component
lormetazepam[no description available]low001,4-benzodiazepinone;
organochlorine compound		sedative
fenadiazole[no description available]low001,3,4-oxadiazoles;
biaryl;
phenols		sedative
didesethylflurazepam[no description available]low001,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
primary amino compound		anticonvulsant;
anxiolytic drug;
drug metabolite;
GABAA receptor agonist;
sedative
paraldehyde[no description available]low00trioxanesedative
buspirone hydrochloride[no description available]low00hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
adinazolam[no description available]low00triazolobenzodiazepineanticonvulsant;
antidepressant;
anxiolytic drug;
sedative
3-methylfentanyl[no description available]low00monocarboxylic acid amide;
piperidines		mu-opioid receptor agonist;
opioid analgesic;
sedative
trazodone hydrochloride[no description available]low00hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
brexanolone[no description available]low003-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative
lactucin[no description available]low00azulenofuran;
cyclic terpene ketone;
enone;
primary alcohol;
secondary alcohol;
sesquiterpene lactone		antimalarial;
plant metabolite;
sedative
etorphine[no description available]low00alcohol;
morphinane alkaloid		opioid analgesic;
opioid receptor agonist;
sedative
thiamylal[no description available]low00barbiturates;
organosulfur compound		sedative
valerenic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid		GABA modulator;
plant metabolite;
sedative;
volatile oil component
carbon monoxide[no description available]low00carbon oxide;
gas molecular entity;
one-carbon compound		biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent
toluene[no description available]low00methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
ibotenic acid[no description available]low00non-proteinogenic alpha-amino acidneurotoxin
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine[no description available]low00methylpyridines;
phenylpyridine;
tetrahydropyridine		neurotoxin
3-nitropropionic acid[no description available]low00C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin
oxidopamine[no description available]low00benzenetriol;
catecholamine;
primary amino compound		drug metabolite;
human metabolite;
neurotoxin
levodopa[no description available]low00amino 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
phencyclidine[no description available]low00benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
acrylamide[no description available]low00acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin
diethyl phthalate[no description available]low00diester;
ethyl ester;
phthalate ester		neurotoxin;
plasticiser;
teratogenic agent
pseudocumene[no description available]low00trimethylbenzeneneurotoxin
3-dinitrobenzene[no description available]low00dinitrobenzeneneurotoxin
1-bromopropane[no description available]low00bromoalkane;
bromohydrocarbon		neurotoxin;
solvent
allyl cyanide[no description available]low00aliphatic nitrile;
olefinic compound		antifeedant;
neurotoxin;
plant metabolite
2,5-hexanedione[no description available]low00diketone;
methyl ketone		human xenobiotic metabolite;
neurotoxin
n-hexane[no description available]low00alkane;
volatile organic compound		neurotoxin;
non-polar solvent
potassium cyanide[no description available]low00cyanide salt;
one-carbon compound;
potassium salt		EC 1.15.1.1 (superoxide dismutase) inhibitor;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
neurotoxin
bicuculline[no description available]low00benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
hemimellitene[no description available]low00trimethylbenzeneneurotoxin;
plant metabolite
thallium acetate[no description available]low00acetate salt;
thallium molecular entity		apoptosis inducer;
neurotoxin
decabromobiphenyl ether[no description available]low00polybromodiphenyl etherneurotoxin
n-butylbenzenesulfonamide[no description available]low00sulfonamideneurotoxin;
plant metabolite
mercury[no description available]low00elemental mercury;
zinc group element atom		neurotoxin
lead chromate[no description available]low00chromium coordination entity;
lead coordination entity		carcinogenic agent;
nephrotoxin;
neurotoxin
edifenphos[no description available]low00organic thiophosphateantifungal agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin;
phospholipid biosynthesis inhibitor
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline[no description available]low00isoquinolinol;
tertiary amino compound		human metabolite;
neurotoxin;
rat metabolite
1-methyl-4-phenylpyridinium[no description available]low00pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
vx[no description available]low00organic thiophosphate;
tertiary amino compound		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin
oltipraz[no description available]low001,2-dithiole;
pyrazines		angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine[no description available]low00hydroxylamine;
imidazopyridine		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite
beta-n-methylamino-l-alanine[no description available]low00diamino acid;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound		bacterial metabolite;
neurotoxin
acromelic acid a[no description available]low00pyridone;
pyrrolidinecarboxylic acid;
tricarboxylic acid		fungal metabolite;
neurotoxin;
NMDA receptor agonist
megestrol acetate[no description available]low00bridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol		GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite
3,4-dihydroxyphenylglycolaldehyde[no description available]low00catechols;
hydroxyaldehyde		human metabolite;
mouse metabolite;
neurotoxin
aminochrome 1[no description available]low00indoledione;
orthoquinones		neurotoxin
domoic acid[no description available]low00L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin
t-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin
lead[no description available]low00carbon group element atom;
elemental lead;
metal atom		neurotoxin
resiniferatoxin[no description available]low00carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone		analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist
tetrodotoxin[no description available]low00azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid		animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker
dysiherbaine[no description available]low00amino dicarboxylic acid;
furopyran;
hydroxy carboxylic acid;
secondary amino compound		animal metabolite;
excitatory amino acid agonist;
marine metabolite;
neurotoxin
decarbamylsaxitoxin[no description available]low00alkaloid;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
primary alcohol;
pyrrolopurine		bacterial metabolite;
marine metabolite;
neurotoxin;
toxin;
xenobiotic
saxitoxin[no description available]low00alkaloid;
carbamate ester;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
pyrrolopurine		cyanotoxin;
marine metabolite;
neurotoxin;
sodium channel blocker;
toxin
2,4-dihydroxybutyrate[no description available]low002-hydroxy fatty acid;
hydroxybutyric acid;
omega-hydroxy-short-chain fatty acid
3-dehydroquinic acid[no description available]low002-hydroxy monocarboxylic acid;
4-hydroxy monocarboxylic acid;
4-oxo monocarboxylic acid;
5-hydroxy monocarboxylic acid;
secondary alpha-hydroxy ketone		Escherichia coli metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Absence Seizure0low110
Absence Seizure Disorder0low80
Absence Seizures0low110
Acathisia, Drug-Induced0low10
Acquired Encephalocele0low10
Acquired Language Disorders0low10
Acquired Metabolic Diseases, Brain0low20
Acquired Metabolic Diseases, Nervous System0low20
Acquired Metabolic Encephalopathies0low20
Action Tremor0low10
Acute Brain Injuries0low10
Acute Disease0low10
Acute Hypercapnic Respiratory Failure0low10
Acute Hypoxemic Respiratory Failure0low10
Acute Liver Injury, Drug-Induced0low10
ACY2 Deficiency0low10
Adenocarcinoma Of Kidney0low10
Adenocarcinoma, Renal0low10
Adenocarcinoma, Renal Cell0low10
Adipocere0low80
Adult-Onset Dystonias0low10
Adult-Onset Idiopathic Focal Dystonias0low10
Adult-Onset Idiopathic Torsion Dystonias0low10
Affective Psychosis, Bipolar0low20
Age-Related Memory Disorders0low20
Agitation, Psychomotor0low10
Akathisia0low10
Akathisia, Drug-Induced0low10
Akathisia, Tardive0low10
Akinetic Petit Mal0low80
Alcohol Abuse0medium284
Alcohol Addiction0medium284
Alcohol Dependence0medium284
Alcohol Drinking0medium51
Alcohol Problem0medium21
Alcohol Use Disorder0medium284
Alcohol Withdrawal Associated Autonomic Hyperactivity0medium11
Alcohol Withdrawal Delirium0medium11
Alcohol Withdrawal Hallucinosis0medium11
Alcohol Withdrawal Seizures0low10
Alcohol Withdrawal-Induced Delirium Tremens0medium11
Alcohol Withdrawal-Induced Major Motor Seizure0low10
Alcohol Withdrawal-Induced Seizure0low10
Alcohol Withdrawal-Induced Status Epilepticus0low10
Alcohol-Related Disorders0medium21
Alcohol-Related Seizures0low10
Alcoholic Fatty Liver0medium11
Alcoholic Intoxication0low10
Alcoholic Intoxication, Chronic0medium284
Alcoholic Steatohepatitis0medium11
Alcoholism0medium284
Algor Mortis0low80
Alloxan Diabetes0low10
Alopecia0low10
Alopecia Cicatrisata0low10
Alopecia, Androgenetic0low10
Alopecia, Male Pattern0low10
Altered Level of Consciousness0low10
Alternating Exotropia0medium11
Amentia0low10
Amino Acid Metabolism Disorders, Inborn0low130
Amino Acid Metabolism, Inborn Error0low130
Amino Acid Metabolism, Inborn Errors0low130
Amino Acid Metabolism, Inherited Disorders0low130
Amino Acidopathies, Congenital0low130
Amino Acidopathies, Inborn0low130
Aminoacylase 2 Deficiency0low10
Amphetamine Abuse0low10
Amphetamine Addiction0low10
Amphetamine Dependence0low10
Amphetamine-Related Disorders0low10
Androgenetic Alopecia0low10
Androgenic Alopecia0low10
Anesthesia0medium81
Angiogenesis, Pathologic0low10
Angiogenesis, Pathological0low10
Anochlesia0low10
Anxiety0medium21
Aortic Stenosis, Supravalvular0low10
Aortic Supravalvular Stenosis0low10
Aprosodia0low10
Aprosodic Speech0low10
ASP Deficiency0low10
ASPA Deficiency0low10
Aspartoacylase Deficiency0low10
Ataxia0low10
Ataxia, Appendicular0low10
Ataxia, Limb0low10
Ataxia, Motor0low10
Ataxia, Sensory0low10
Ataxia, Truncal0low10
Ataxy0low10
Atonic Absence Seizure0low110
Atonic Absence Seizures0low110
Atonic Seizure0low110
Atonic Seizures0low110
Aura0low30
Autism0low10
Autism, Early Infantile0low10
Autism, Infantile0low10
Autistic Disorder0low10
Autonomic Hyperactivity, Alcohol Withdrawal Associated0medium11
Autosomal Dominant Familial Dystonia0low10
Autosomal Recessive Familial Dystonia0low10
Awakening Epilepsy0low30
Baldness0low10
Baldness, Male Pattern0low10
BCKD Deficiency0low10
Behavior Disorders0low10
Benign Infantile Myoclonic Epilepsy0low10
Benign Neoplasms, Brain0low10
Beuren Syndrome0low10
Bifid Cranium0low10
Binge Alcohol Consumption0low10
Binge Drinking0low10
Bipolar Disorder0low20
Bipolar Mood Disorder0low20
Body Weight0low20
Bradyarrhythmia0low10
Bradyarrhythmias0low10
Bradycardia0low10
Brain Cancer0low10
Brain Diseases, Metabolic0low20
Brain Diseases, Metabolic, Acquired0low20
Brain Diseases, Metabolic, Familial0low10
Brain Diseases, Metabolic, Inborn0low10
Brain Diseases, Metabolic, Inherited0low10
Brain Disorders, Metabolic0low20
Brain Disorders, Metabolic, Acquired0low20
Brain Injuries0low10
Brain Injuries, Acute0low10
Brain Injuries, Focal0low10
Brain Lacerations0low10
Brain Metastases0low10
Brain Neoplasm, Primary0low10
Brain Neoplasms0low10
Brain Neoplasms, Benign0low10
Brain Neoplasms, Malignant0low10
Brain Neoplasms, Malignant, Primary0low10
Brain Neoplasms, Primary Malignant0low10
Brain Syndrome, Metabolic0low20
Brain Syndrome, Metabolic, Acquired0low20
Brain Syndrome, Metabolic, Inborn0low10
Brain Tumor, Primary0low10
Brain Tumor, Recurrent0low10
Brain Tumors0low10
Branched-Chain alpha-Keto Acid Dehydrogenase Deficiency0low10
Branched-Chain Ketoaciduria0low10
Breast Cancer0low10
Breast Carcinoma0low10
Breast Neoplasms0low10
Breast Tumors0low10
Cadaver0low10
Canavan Disease0low10
Canavan Disease, Familial Form0low10
Canavan Disease, Infantile0low10
Canavan Disease, Juvenile0low10
Canavan Disease, Neonatal0low10
Canavan Disease, Sporadic Form0low10
Canavan Disease, Type I0low10
Canavan Disease, Type II0low10
Canavan Disease, Type III0low10
Canavan-van Bogaert-Bertrand Disease0low10
Cancer of Brain0low10
Cancer of Breast0low10
Cancer of Kidney0low10
Cancer of Lung0low10
Cancer of Stomach0low10
Cancer of the Brain0low10
Cancer of the Breast0low10
Cancer of the Kidney0low10
Cancer of the Lung0low10
Cancer of the Stomach0low10
Cannabis Abuse0low10
Cannabis Dependence0low10
Cannabis-Related Disorder0low10
Carcinogenesis0low10
Carcinoma, Hypernephroid0low10
Carcinoma, Lewis Lung0low10
Carcinoma, Non-Small Cell Lung0low10
Carcinoma, Non-Small-Cell Lung0low10
Carcinoma, Renal Cell0low10
Cardiac Hypertrophy0low10
Cardiomegaly0low10
Catalepsy0low10
Cataleptic Attacks0low30
Cataplexy0low30
Catatonia0low10
Catatonia, Malignant0low10
Catatonia, Organic0low10
Central Nervous System Inborn Metabolic Diseases0low10
Central Nervous System Inborn Metabolic Disorders0low10
Central Nervous System Metabolic Disorders0low20
Cephalocele0low10
Cerea Flexibilitas0low10
Cerebellar Hernia0low10
Cerebellar Herniation0low10
Cerebral Arteriosclerosis0low10
Cerebral Atherosclerosis0low10
Chemical and Drug Induced Liver Injury0low10
Chemical Dependence0medium601
Chemically-Induced Liver Toxicity0low10
Child Development Deviations0low80
Child Development Disorders0low80
Child Development Disorders, Specific0low80
Childhood Absence Epilepsy0low80
Childhood Onset Dystonias0low10
Chromophil Renal Cell Carcinoma0low10
Chromophobe Renal Cell Carcinoma0low10
Chromosome 7q11.23 Deletion Syndrome0low10
Chromosome-Defective Micronuclei0low10
Chronic Insomnia0low20
Classic Maple Syrup Urine Disease0low10
Classical Maple Syrup Urine Disease0low10
Clear Cell Renal Carcinoma0low10
Clear Cell Renal Cell Carcinoma0low10
Clonic Seizure0low110
Clonic Seizures0low110
Cluttering0low10
CNS Metabolic Disorders0low20
CNS Metabolic Disorders, Acquired0low20
CNS Metabolic Disorders, Inborn0low10
Coarse Tremor0low10
Cognition Disorders0low10
Cognitive Decline0low10
Cognitive Dysfunction0low10
Cognitive Impairments0low10
Collecting Duct Carcinoma0low10
Collecting Duct Carcinoma (Kidney)0low10
Collecting Duct Carcinoma of the Kidney0low10
Coma0low70
Comatose0low70
Complex Partial Seizure0low110
Complex Partial Seizures0low110
Complications, Pregnancy0low10
Congenital Amino Acidopathies0low130
Consciousness Disorders0low10
Consciousness, Level Altered0low10
Consciousness, Level Depressed0low10
Consciousness, Loss of0low10
Constricted Pupil0medium11
Contiguous Gene Syndrome, Williams0low10
Continuous Tremor0low10
Convulsion0low110
Convulsion, Non-Epileptic0low110
Convulsions0low110
Convulsive Seizure0low110
Convulsive Seizures0low110
Coordination Impairment0low10
Corpse0low10
Cranial Meningoencephalocele0low10
Craniocele0low10
Cranium Bifidum0low10
Cruor0low80
Cryptogenic Myoclonic Epilepsy0low10
Darkness Tremor0low10
Daytime Sleepiness0low10
Daytime Somnolence0low10
Decreased Muscle Tone0low10
Deficiency Disease, Aspartoacylase0low10
Deficiency, Folic Acid0low10
Deficiency, Mental0low40
Delirium0low10
Delirium of Mixed Origin0low10
Delirium Tremens0medium11
Delirium Tremens, Alcohol Withdrawal Induced0medium11
Dementia0low10
Dementia Praecox0low20
Depressed Level of Consciousness0low10
Depression0medium31
Depression, Bipolar0low20
Development Disorders, Child0low80
Developmental Delay Disorders0low80
Developmental Disabilities0low80
Developmental Psychomotor Disorders0low20
Diabetes Mellitus, Experimental0low10
Diagnosis, Psychiatric0low10
DIMS (Disorders of Initiating and Maintaining Sleep)0low20
Disabilities, Developmental0low80
Disability, Intellectual0low40
Disease Models, Animal0low50
Disorders of Excessive Somnolence0low10
Disorders of Initiating and Maintaining Sleep0low20
Divergent Strabismus0medium11
DOES (Disorders of Excessive Somnolence)0low10
Doose Syndrome0low10
Dravet Syndrome0low10
Drug Abuse0medium601
Drug Addiction0medium601
Drug Dependence0medium601
Drug Habituation0medium601
Drug Overdose0low120
Drug Use Disorders0medium601
Drug Withdrawal Symptoms0medium272
Drug-Induced Acute Liver Injury0low10
Drug-Induced Akathisia0low10
Drug-Induced Liver Disease0low10
Drug-Induced Liver Injury0low10
Drunkenness0low10
Dyscoordination0low10
Dysglossia0low10
Dyskinesia Syndromes0low10
Dyslalia0low10
Dyssynergia0low10
Dystonia0low10
Dystonia Disorders0low10
Dystonia, Diurnal0low10
Dystonia, Hereditary0low10
Dystonia, Limb0low10
Dystonia, Paroxysmal0low10
Dystonia, Primary0low10
Dystonia, Psychogenic0low10
Dystonia, Secondary0low10
Dystonias, Sporadic0low10
Dystonic Disorders0low10
Early Awakening0low20
Early Childhood Epilepsy, Myoclonic0low10
Early Childhood, Myoclonic Epilepsy0low10
Edema, Pulmonary0low10
Edemas, Pulmonary0low10
Electrolytes0low10
Emergencies0low30
Emesis0medium11
Encephalocele0low10
Encephalocele, Acquired0low10
Encephalocele, Frontal0low10
Encephalocele, Occipital0low10
Encephalocele, Sincipital0low10
Encephalopathies, Metabolic0low20
Encephalopathies, Metabolic, Inborn0low10
Encephalopathy, Metabolic, Acquired0low20
Encephalopathy, Myoclonic0low10
Encephalopathy, Toxic0low20
Endocarditis, Loeffler0low10
Endocarditis, Loeffler's0low10
Enlarged Heart0low10
Enlarged Liver0low10
Epilepsies, Myoclonic0low10
Epilepsy0low30
Epilepsy Juvenile Absence0low80
Epilepsy, Absence0low80
Epilepsy, Absence, Atypical0low80
Epilepsy, Cryptogenic0low30
Epilepsy, Early Childhood, Myoclonic0low10
Epilepsy, Minor0low80
Epilepsy, Myoclonic, Early Childhood0low10
Epilepsy, Myoclonic, Infantile0low10
Epilepsy, Myoclonic, Infantile, Benign0low10
Epilepsy, Myoclonic, Infantile, Severe0low10
Epilepsy, Myoclonus0low10
Epilepsy, Petit Mal0low80
Epileptic Seizure0low110
Epileptic Seizures0low110
Erectile Dysfunction0low10
Etat Marbre0low10
Ethanol Abuse0medium284
Excessive Daytime Sleepiness0low10
Excessive Somnolence Disorders0low10
Excitement, Psychomotor0low10
Exodeviation0medium11
Exophoria0medium11
Exotropia0medium11
Experimental Diabetes Mellitus0low10
Experimental Lung Inflammation0low10
Failure to Thrive0low10
Familial Dementia0low10
Familial Dystonia0low10
Familial Dystonia, Autosomal Dominant0low10
Familial Dystonia, Autosomal Recessive0low10
Familial Dystonia, Idiopathic0low10
Familial Form of Canavan Disease0low10
Familial Metabolic Brain Diseases0low10
Familial Metabolic Disorders, Brain0low10
Fatigue0low10
Fatty Liver, Alcoholic0medium11
Female Pattern Baldness0low10
Fine Tremor0low10
Flaccid Muscle Tone0low10
Flexibility, Waxy0low10
Floppy Muscles0low10
Focal Brain Injuries0low10
Focal Dystonia0low10
Folic Acid Deficiency0low10
Foreign Bodies0medium11
Foreign Objects0medium11
Frontal Encephalocele0low10
Gastric Cancer0low10
Gastric Cancer, Familial Diffuse0low10
Gastric Neoplasms0low10
Gelineau Syndrome0low60
Gelineau's Syndrome0low60
Generalized Absence Seizure0low110
Generalized Absence Seizures0low110
Generalized Tonic-Clonic Seizures0low110
Genotoxicant-Induced Micronuclei0low10
Glial Cell Tumors0low10
Glioma0low10
Gonorrhea0low10
Gossypiboma0medium11
Grawitz Tumor0low10
Hair Loss0low10
Hashish Abuse0low10
Heart Enlargement0low10
Heart Hypertrophy0low10
Henneberg Syndrome0low30
Hepatitis, Drug-Induced0low10
Hepatitis, Toxic0low10
Hepatomegaly0low10
Hernia, Cerebral0low10
Heroin Abuse0low10
Heroin Addiction0low10
Heroin Dependence0low10
Heroin Smoking0low10
HIV Coinfection0low10
HIV Infections0low10
HTLV-III Infections0low10
HTLV-III-LAV Infections0low10
Human Mammary Carcinoma0low10
Hyperactivity, Motor0low10
Hypercalcemia-Supravalvar Aortic Stenosis0low10
Hypercapnic Acute Respiratory Failure0low10
Hypercapnic Respiratory Failure0low10
Hypereosinophilic Syndrome0low10
Hypereosinophilic Syndrome, Idiopathic0low10
Hyperkinesia0low10
Hyperkinesia, Generalized0low10
Hyperkinesis0low10
Hyperkinetic Movements0low10
Hypernephroma0low10
Hypersomnia0low10
Hypersomnia, Recurrent0low10
Hypersomnolence0low10
Hypersomnolence Disorders0low10
Hypersomnolence Disorders, Primary0low10
Hypersomnolence Disorders, Secondary0low10
Hypomyotonia0low10
Hypotonia0low10
Hypotony, Muscle0low10
Hypoxemic Acute Respiratory Failure0low10
Hypoxemic Respiratory Failure0low10
Idiocy0low40
Idiopathic Hypereosinophilic Syndrome0low10
Idiopathic Myoclonic Epilepsy0low10
Impotence0low10
Inborn Errors of Metabolism0low90
Inborn Errors of Metabolism, Brain0low10
Inborn Errors, Amino Acid Metabolism0low130
Inborn Metabolic Brain Diseases0low10
Inborn Metabolic Brain Disorders0low10
Inborn Metabolic Disorders, Brain0low10
Incoordination0low10
Infantile Canavan Disease0low10
Infantile Severe Myoclonic Epilepsy0low10
Inherited Errors of Amino Acid Metabolism0low130
Inherited Metabolic Brain Diseases0low10
Inherited Metabolic Disorders, Brain0low10
Injuries, Acute Brain0low10
Injuries, Brain0low10
Insomnia0low20
Insomnia Disorder0low20
Intellectual Development Disorder0low40
Intellectual Disability0low40
Intention Tremor0low10
Intermediate Maple Syrup Urine Disease0low10
Intermittent Maple Syrup Urine Disease0low10
Intermittent Tremor0low10
Intoxication, Alcoholic0low10
Intracranial Arteriosclerosis0low10
Intracranial Atherosclerosis0low10
Intracranial Neoplasms0low10
Involuntary Quiver0low10
Jacksonian Seizure0low110
Juvenile Absence Epilepsy0low80
Juvenile Canavan Disease0low10
Kanner's Syndrome0low10
Keto Acid Decarboxylase Deficiency0low10
Kidney Cancer0low10
Kidney Failure0low10
Kidney Insufficiency0low10
Kidney Neoplasms0low10
Lack of Coordination0low10
Language Disorders0low10
Language Disorders, Acquired0low10
Lassitude0low10
Lethal Catatonia0low10
Leukemia, Eosinophilic0low10
Leukodystrophy, Spongiform0low10
Liver Injury, Drug-Induced0low10
Liver Injury, Drug-Induced, Acute0low10
Livor Mortis0low80
Lobar Pneumonia0low10
Loeffler Endocarditis0low10
Loeffler's Endocarditis0low10
Lung Cancer0low10
Lung Inflammation0low10
Lung Neoplasms0low10
Major Motor Seizure, Alcohol Withdrawal-Induced0low10
Male Impotence0low10
Male Pattern Baldness0low10
Male Sexual Impotence0low10
Malignant Glioma0low10
Malignant Neoplasm of Breast0low10
Malignant Neoplasms, Brain0low10
Malignant Primary Brain Neoplasms0low10
Malignant Primary Brain Tumors0low10
Malignant Tumor of Breast0low10
Mammary Cancer0low10
Mammary Carcinoma, Human0low10
Mammary Neoplasm, Human0low10
Mammary Neoplasms, Human0low10
Manic Depression0low20
Manic Disorder0low20
Manic-Depressive Psychosis0low20
Maple Syrup Urine Disease0low10
Maple Syrup Urine Disease, Classic0low10
Maple Syrup Urine Disease, Classical0low10
Maple Syrup Urine Disease, Intermediate0low10
Maple Syrup Urine Disease, Intermittent0low10
Maple Syrup Urine Disease, Thiamine Responsive0low10
Maple Syrup Urine Disease, Thiamine-Responsive0low10
Marihuana Abuse0low10
Marijuana Abuse0low10
Marijuana Dependence0low10
Massive Tremor0low10
Memory Deficits0low20
Memory Disorder, Semantic0low20
Memory Disorder, Spatial0low20
Memory Disorders0low20
Memory Disorders, Age-Related0low20
Memory Loss0low20
Mental Deficiency0low40
Mental Deterioration0low10
Mental Disorders0low10
Mental Disorders, Severe0low10
Mental Illness0low10
Mental Retardation0low40
Mental Retardation, Psychosocial0low40
Metabolic Brain Diseases0low20
Metabolic Brain Diseases, Acquired0low20
Metabolic Brain Diseases, Familial0low10
Metabolic Brain Diseases, Inborn0low10
Metabolic Brain Diseases, Inherited0low10
Metabolic Brain Syndrome0low20
Metabolic Brain Syndrome, Acquired0low20
Metabolic Brain Syndrome, Inborn0low10
Metabolic Brain Syndromes0low20
Metabolic Brain Syndromes, Acquired0low20
Metabolic Diseases, Acquired, Nervous System0low20
Metabolic Diseases, Inborn, Brain0low10
Metabolic Diseases, Inborn, Central Nervous System0low10
Metabolic Disorder, Central Nervous System, Acquired0low20
Metabolic Disorders, Brain0low20
Metabolic Disorders, Brain, Inherited0low10
Metabolic Disorders, Central Nervous System0low20
Metabolic Disorders, CNS0low20
Metabolic Disorders, CNS, Acquired0low20
Metabolic Disorders, CNS, Inborn0low10
Metabolic Disorders, Familial, Brain0low10
Metabolic Encephalopathies0low20
Metabolism Errors, Inborn0low90
Metabolism, Inborn Errors0low90
Micronuclei, Chromosome-Defective0low10
Micronuclei, Genotoxicant-Induced0low10
Micronucleus, Chromosome-Defective0low10
Mild Cognitive Impairment0low10
Mild Neurocognitive Disorder0low10
Miosis0medium11
Miosis, Persistent0medium11
Mixed Glioma0low10
Monocular Exotropia0medium11
Movement Disorder Syndromes0low10
Movement Disorders0low10
MSUD (Maple Syrup Urine Disease)0low10
Muscle Dystonia0low10
Muscle Flaccidity0low10
Muscle Hypotonia0low10
Muscle Tone Atonic0low10
Muscle Tone Poor0low10
Muscular Flaccidity0low10
Muscular Hypotonia0low10
Mydriasis0medium11
Myoclonic Absence Epilepsy0low10
Myoclonic Astatic Epilepsy0low10
Myoclonic Encephalopathy0low10
Myoclonic Epilepsy0low10
Myoclonic Epilepsy, Benign Infantile0low10
Myoclonic Epilepsy, Early Childhood0low10
Myoclonic Epilepsy, Infantile0low10
Myoclonic Epilepsy, Infantile, Benign0low10
Myoclonic Epilepsy, Infantile, Severe0low10
Myoclonic Epilepsy, Severe Infantile0low10
Myoclonic Epilepsy, Severe, Of Infancy0low10
Myoclonic Jerk0low20
Myoclonic Jerking0low20
Myoclonic Seizure0low110
Myoclonic Seizure Disorder0low10
Myoclonic Seizures0low110
Myoclonus0low20
Myoclonus Simplex0low20
Myoclonus, Action0low20
Myoclonus, Eyelid0low20
Myoclonus, Intention0low20
Myoclonus, Lower Extremity0low20
Myoclonus, Nocturnal0low20
Myoclonus, Oculopalatal0low20
Myoclonus, Palatal0low20
Myoclonus, Segmental0low20
Myoclonus, Sleep0low20
Myoclonus, Upper Extremity0low20
Narcolepsy0low60
Narcolepsy-Cataplexy Syndrome0low60
Narcoleptic Syndrome0low60
Narcosis0low10
Neisseria gonorrhoeae Infection0low10
Neonatal Canavan Disease0low10
Neonatal Hypotonia0low10
Neoplasms, Brain0low10
Neoplasms, Brain, Benign0low10
Neoplasms, Brain, Malignant0low10
Neoplasms, Brain, Primary0low10
Neoplasms, Breast0low10
Neoplasms, Gastric0low10
Neoplasms, Intracranial0low10
Neoplasms, Kidney0low10
Neoplasms, Lung0low10
Neoplasms, Pulmonary0low10
Neoplasms, Stomach0low10
Neovascularization, Pathologic0low10
Neovascularization, Pathological0low10
Nephroid Carcinoma0low10
Nervous System Acquired Metabolic Diseases0low20
Nervous System Diseases0low10
Nervous System Disorders0low10
Nervous System Poisoning0low20
Neurologic Disorders0low10
Neurological Disorders0low10
Neurotoxic Disorders0low20
Neurotoxicity Syndromes0low20
Neurotoxin Diseases0low20
Neurotoxin Disorders0low20
Non-Epileptic Seizure0low110
Non-Epileptic Seizures0low110
Non-Small Cell Lung Cancer0low10
Non-Small Cell Lung Carcinoma0low10
Non-Small-Cell Lung Carcinoma0low10
Nonepileptic Seizure0low110
Nonepileptic Seizures0low110
Nonorganic Insomnia0low20
Nonsmall Cell Lung Cancer0low10
Notoencephalocele0low10
Occipital Encephalocele0low10
Oncogenesis0low10
Organic Catatonic Disorder0low10
Organic Mental Disorders, Substance-Induced0medium601
Overinclusion0low10
Papillary Renal Cell Carcinoma0low10
Paroxysmal Sleep0low60
Partial Seizure0low110
Partial Seizures0low110
Passive Tremor0low10
Pathologic Angiogenesis0low10
Pathologic Neovascularization0low10
Pattern Baldness0low10
Persistent Tremor0low10
Petit Mal Convulsion0low110
Petit Mal Epilepsy0low80
Pill Rolling Tremor0low10
Pneumonia0low10
Pneumonia, Lobar0low10
Pneumonitis0low10
Poisoning0low60
Poisoning, Nervous System0low20
Polymyoclonus0low20
Postmortem Changes0low80
Pregnancy0low50
Pregnancy Complications0low10
Prescription Drug Abuse0medium601
Primary Brain Neoplasms0low10
Primary Exotropia0medium11
Primary Hypersomnia Disorders0low10
Primary Hypersomnolence Disorders0low10
Primary Insomnia0low20
Primary Malignant Brain Neoplasms0low10
Primary Malignant Brain Tumors0low10
Pseudoakathisia0low10
Pseudocoma0low70
Pseudodystonia0low10
Pseudopelade0low10
Psychiatric Diagnosis0low10
Psychiatric Diseases0low10
Psychiatric Disorders0low10
Psychiatric Illness0low10
Psychomotor Agitation0low10
Psychomotor Disorders0low20
Psychomotor Disorders, Developmental0low20
Psychomotor Hyperactivity0low10
Psychomotor Impairment0low20
Psychomotor Restlessness0low10
Psychophysiological Insomnia0low20
Psychoses0low20
Psychoses, Alcoholic0low10
Psychoses, Drug0low20
Psychoses, Manic-Depressive0low20
Psychoses, Substance-Induced0low20
Psychoses, Toxic0low20
Psychosis0low20
Psychosis, Brief Reactive0low20
Psychosis, Manic-Depressive0low20
Psychotic Disorders0low20
Pulmonary Cancer0low10
Pulmonary Edema0low10
Pulmonary Edemas0low10
Pulmonary Inflammation0low10
Pulmonary Neoplasms0low10
Pupillary Miosis0medium11
Pykno-Epilepsy0low80
Pyknolepsy0low80
Rebound Insomnia0low20
Recrudescence0medium21
Recurrence0medium21
Relapse0medium21
Renal Cancer0low10
Renal Carcinoma0low10
Renal Cell Cancer0low10
Renal Cell Carcinoma0low10
Renal Cell Carcinoma, Papillary0low10
Renal Collecting Duct Carcinoma0low10
Renal Failure0low10
Renal Insufficiency0low10
Renal Neoplasms0low10
Respiratory Depression0low10
Respiratory Failure0low10
Respiratory Insufficiency0low10
Rest Tremor0low10
Resting Tremor0low10
Restlessness0low10
Retained Surgical Instruments0medium11
Retained Surgical Items0medium11
Retained Surgical Needle0medium11
Retained Surgical Sponge0medium11
Retained Surgical Tools0medium11
Retardation, Mental0low40
Retention Disorders, Cognitive0low20
Rhinolalia0low10
Sarcomatoid Renal Cell Carcinoma0low10
Saturnine Tremor0low10
Schizoaffective Disorder0low20
Schizophrenia0low20
Schizophrenic Disorders0low20
Schizophreniform Catatonia0low10
Schizophreniform Disorders0low20
Secondary Dystonia0low10
Secondary Exotropia0medium11
Secondary Hypersomnia Disorders0low10
Secondary Hypersomnolence Disorders0low10
Secondary Insomnia0low20
Seizure0low110
Seizure Disorder0low30
Seizure Disorder, Absence0low80
Seizures0low110
Seizures, Alcoholic0low10
Seizures, Auditory0low110
Seizures, Clonic0low110
Seizures, Convulsive0low110
Seizures, Epileptic0low110
Seizures, Focal0low110
Seizures, Generalized0low110
Seizures, Gustatory0low110
Seizures, Motor0low110
Seizures, Olfactory0low110
Seizures, Sensory0low110
Seizures, Somatosensory0low110
Seizures, Tonic0low110
Seizures, Tonic-Clonic0low110
Seizures, Vertiginous0low110
Seizures, Vestibular0low110
Seizures, Visual0low110
Semantic Memory Disorder0low20
Semiconsciousness0low10
Senile Paranoid Dementia0low10
Senile Tremor0low10
Sensitivity and Specificity0low150
Severe Infantile Myoclonic Epilepsy0low10
Severe Myoclonic Epilepsy Of Infancy0low10
Severe Myoclonic Epilepsy, Infantile0low10
Sincipital Encephalocele0low10
Single Seizure0low110
Sleep Initiation and Maintenance Disorders0low20
Sleep Initiation Dysfunction0low20
Sleeplessness0low20
Small Pupil0medium11
Spatial Memory Disorder0low20
Speech Disorders0low10
Spongy Degeneration Of Central Nervous System0low10
Spongy Degeneration of Infancy0low10
Spongy Degeneration of the Brain0low10
Spongy Degeneration of the Central Nervous System0low10
Spongy Degeneration of White Matter In Infancy0low10
Spongy Disease of Central Nervous System0low10
Spongy Disease of White Matter0low10
Sporadic Form of Canavan Disease0low10
Static Tremor0low10
Status Cataplexicus0low30
Status Epilepticus, Alcohol Withdrawal-Induced0low10
Status Marmoratus0low10
Stenosis, Aortic Supravalvular0low10
Stenosis, Supravalvular Aortic0low10
Stomach Cancer0low10
Stomach Neoplasms0low10
Strabismus, Divergent0medium11
Streptozocin Diabetes0low10
Streptozotocin Diabetes0low10
Stupor0low10
Subacute Delirium0low10
Substance Abuse0medium601
Substance Addiction0medium601
Substance Dependence0medium601
Substance Use0medium601
Substance Use Disorders0medium601
Substance Withdrawal Syndrome0medium272
Substance-Induced Psychoses0low20
Substance-Related Disorders0medium601
Supravalvar Aortic Stenosis0low10
Supravalvar Aortic Stenosis Syndrome0low10
Supravalvular Aortic Stenosis0low10
Supravalvular Stenosis, Aortic0low10
Symptomatic Myoclonic Epilepsy0low10
T-Lymphotropic Virus Type III Infections, Human0low10
Textiloma0medium11
Thiamine Responsive Maple Syrup Urine Disease0low10
Tonelessness Syndrome0low30
Tonic Clonic Seizure0low110
Tonic Seizure0low110
Tonic Seizures0low110
Tonic-Clonic Seizure0low110
Tonic-Clonic Seizures0low110
Tonsillar Hernia0low10
Tonsillar Herniation0low10
Toxic Encephalitis0low20
Toxic Hepatitis0low10
Toxic Psychoses0low20
Transient Insomnia0low20
Tremor0low10
Tremor, Limb0low10
Tremor, Muscle0low10
Tremor, Neonatal0low10
Tremor, Nerve0low10
Tremor, Perioral0low10
Tremor, Rubral0low10
Tremor, Semirhythmic0low10
Tumorigenesis0low10
Tumors, Breast0low10
Type I Canavan Disease0low10
Type II Canavan Disease0low10
Type III Canavan Disease0low10
Unconscious State0low10
Unconsciousness0low10
Unilateral Hypotonia0low10
Van Bogaert-Bertrand Syndrome0low10
Ventilatory Depression0low10
Verbal Fluency Disorders0low10
Vomiting0medium11
Von Bogaert-Bertrand Disease0low10
Weight Gain0low10
Wet Lung0low10
Williams Contiguous Gene Syndrome0low10
Williams Syndrome0low10
Williams-Beuren Syndrome0low10
Withdrawal Symptoms0medium272
Writer's Cramp0low10

Research Highlights

Safety/Toxicity (5)

ArticleYear
Efficacy and safety of pharmacological interventions for the treatment of the Alcohol Withdrawal Syndrome.
The Cochrane database of systematic reviews, Jun-15, Issue: 6		2011
Effects of 1,4-butanediol administration on oxidative stress in rat brain: study of the neurotoxicity of gamma-hydroxybutyric acid in vivo.
Metabolic brain disease, Volume: 24, Issue: 2		2009
Feasibility of D-glucuronate to enhance gamma-hydroxybutyric acid metabolism during gamma-hydroxybutyric acid toxicity: pharmacokinetic and pharmacodynamic studies.
Biopharmaceutics & drug disposition, Volume: 28, Issue: 1		2007
Evaluation of gamma-hydroxybutyric acid for genotoxicity in the mouse micronucleus assay.
Annals of the New York Academy of Sciences, Volume: 1025		2004
4-methylpyrazole decreases 1,4-butanediol toxicity by blocking its in vivo biotransformation to gamma-hydroxybutyric acid.
Annals of the New York Academy of Sciences, Volume: 1025		2004
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (8)

ArticleYear
[Withdrawal syndrome following chronic use of gamma-hydroxybutyric acid (GHB)].
Revue medicale de Liege, Volume: 78, Issue: 7-8		2023
Central and peripheral metabolic changes induced by gamma-hydroxybutyrate.
Sleep, Feb-01, Volume: 38, Issue: 2		2015
γ-Hydroxybutyric acid induces actions via the GABAB receptor in arousal and motor control-related nuclei: implications for therapeutic actions in behavioral state disorders.
Neuroscience, Sep-17, Volume: 248		2013
[Current knowledge on gamma-hydroxybutyric acid (GHB), gamma-butyrolactone (GBL) and 1 ,4-butanediol (1,4-BD)].
La Revue du praticien, Volume: 62, Issue: 5		2012
[Gamma-hydroxybutyric acid (GHB): more than a date rape drug, a potentially addictive drug].
Presse medicale (Paris, France : 1983), Volume: 38, Issue: 10		2009
Evaluation for the withdrawal syndrome from gamma-hydroxybutyric acid (GHB), gamma-butyrolactone (GBL), and 1,4-butanediol (1,4-BD) in different rat lines.
Annals of the New York Academy of Sciences, Volume: 1074		2006
Failure of gamma-hydroxybutyric acid both to increase neuroactive steroid concentrations in adrenalectomized-orchiectomized rats and to induce tolerance to its steroidogenic effect in intact animals.
Brain research, Jun-25, Volume: 1012, Issue: 1-2		2004
Long-term administration of GHB does not affect muscular mass in alcoholics.
Life sciences, Volume: 65, Issue: 14		1999
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (8)

ArticleYear
Alcohol perturbed locomotor behavior, metabolism, and pharmacokinetics of gamma-hydroxybutyric acid in rats.
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, Volume: 164		2023
Semi-mechanistic kidney model incorporating physiologically-relevant fluid reabsorption and transporter-mediated renal reabsorption: pharmacokinetics of γ-hydroxybutyric acid and L-lactate in rats.
Journal of pharmacokinetics and pharmacodynamics, Volume: 42, Issue: 5		2015
Pharmacokinetics of GHB and detection window in serum and urine after single uptake of a low dose of GBL - an experiment with two volunteers.
Drug testing and analysis, Volume: 6, Issue: 4		2014
Pharmacokinetics of gamma-hydroxybutylic acid (GHB) and gamma-butyrolactone (GBL), the anti-angiogenic metabolites of oral fluoropyrimidine UFT, in patients with gastric cancer.
Fukuoka igaku zasshi = Hukuoka acta medica, Volume: 98, Issue: 12		2007
Pharmacokinetics and pharmacodynamics of gamma-hydroxybutyric acid during tolerance in rats: effects on extracellular dopamine.
The Journal of pharmacology and experimental therapeutics, Volume: 320, Issue: 3		2007
Feasibility of D-glucuronate to enhance gamma-hydroxybutyric acid metabolism during gamma-hydroxybutyric acid toxicity: pharmacokinetic and pharmacodynamic studies.
Biopharmaceutics & drug disposition, Volume: 28, Issue: 1		2007
Potential gamma-hydroxybutyric acid (GHB) drug interactions through blood-brain barrier transport inhibition: a pharmacokinetic simulation-based evaluation.
Journal of pharmacokinetics and pharmacodynamics, Volume: 33, Issue: 5		2006
Renal clearance of gamma-hydroxybutyric acid in rats: increasing renal elimination as a detoxification strategy.
The Journal of pharmacology and experimental therapeutics, Volume: 313, Issue: 3		2005
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (18)

ArticleYear
Absence of drug-drug interactions between γ-hydroxybutyric acid (GHB) and cobicistat.
The Journal of antimicrobial chemotherapy, 12-24, Volume: 77, Issue: 1		2021
Endogenous GHB in Segmented Hair Part II: Intra-individual Variation for Exogenous Discrimination.
Journal of analytical toxicology, Oct-12, Volume: 44, Issue: 7		2020
Risk assessment of gamma-hydroxybutyric acid (GHB) in the Netherlands.
Regulatory toxicology and pharmacology : RTP, Volume: 63, Issue: 1		2012
An enzymatic method to determine γ-hydroxybutyric acid in serum and urine.
Therapeutic drug monitoring, Volume: 33, Issue: 6		2011
Use of a local sensitivity analysis to inform study design based on a mechanistic toxicokinetic model for γ-hydroxybutyric acid.
The AAPS journal, Volume: 13, Issue: 2		2011
Phenylacetic acids and the structurally related non-steroidal anti-inflammatory drug diclofenac bind to specific gamma-hydroxybutyric acid sites in rat brain.
Fundamental & clinical pharmacology, Volume: 23, Issue: 2		2009
Gamma-hydroxybutyric acid versus clomethiazole for the treatment of alcohol withdrawal syndrome in a medical intensive care unit: an open, single-center randomized study.
The American journal of drug and alcohol abuse, Volume: 35, Issue: 3		2009
Determination of gamma-hydroxybutyric acid in clinical samples using capillary electrophoresis with contactless conductivity detection.
Journal of chromatography. A, Dec-05, Volume: 1213, Issue: 1		2008
Pharmacokinetics of gamma-hydroxybutylic acid (GHB) and gamma-butyrolactone (GBL), the anti-angiogenic metabolites of oral fluoropyrimidine UFT, in patients with gastric cancer.
Fukuoka igaku zasshi = Hukuoka acta medica, Volume: 98, Issue: 12		2007
Pharmacokinetics and pharmacodynamics of gamma-hydroxybutyric acid during tolerance in rats: effects on extracellular dopamine.
The Journal of pharmacology and experimental therapeutics, Volume: 320, Issue: 3		2007
Potential gamma-hydroxybutyric acid (GHB) drug interactions through blood-brain barrier transport inhibition: a pharmacokinetic simulation-based evaluation.
Journal of pharmacokinetics and pharmacodynamics, Volume: 33, Issue: 5		2006
[Study on appraisement and determination GHB levels in hair].
Fa yi xue za zhi, Volume: 22, Issue: 1		2006
Different sensitivity to the motor incoordinating effects of gamma-hydroxybutyric acid (GHB) and baclofen in GHB-sensitive and GHB-resistant rats.
Brain research, Feb-01, Volume: 1033, Issue: 1		2005
4-methylpyrazole decreases 1,4-butanediol toxicity by blocking its in vivo biotransformation to gamma-hydroxybutyric acid.
Annals of the New York Academy of Sciences, Volume: 1025		2004
Bi-directional effects of GABA(B) receptor agonists on the mesolimbic dopamine system.
Nature neuroscience, Volume: 7, Issue: 2		2004
Gamma-hydroxybutyric acid in the treatment of alcoholism: dosage fractioning utility in non-responder alcoholic patients.
Drug and alcohol dependence, Dec-01, Volume: 53, Issue: 1		1998
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Interactions (3)

ArticleYear
Absence of drug-drug interactions between γ-hydroxybutyric acid (GHB) and cobicistat.
The Journal of antimicrobial chemotherapy, 12-24, Volume: 77, Issue: 1		2021
Drug-drug interaction between diclofenac and gamma-hydroxybutyric acid.
Biopharmaceutics & drug disposition, Volume: 42, Issue: 8		2021
Potential gamma-hydroxybutyric acid (GHB) drug interactions through blood-brain barrier transport inhibition: a pharmacokinetic simulation-based evaluation.
Journal of pharmacokinetics and pharmacodynamics, Volume: 33, Issue: 5		2006
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]