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

mesoridazine

Description

Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl 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 CID4078
CHEMBL ID1088
CHEBI ID6780
SCHEMBL ID19735
MeSH IDM0013483

Synonyms (105)

Synonym
chebi:6780 ,
CHEMBL1088 ,
AB00513854-11
BRD-A14395271-001-01-5
BRD-A14395271-074-03-8
mesoridazinum
mesoridazina
calodal
thioridazine-2-sulfoxide
tps 23
wln: t c666 bn isj eso&1 b2- bt6ntj a
thioridazien thiomethyl sulfoxide
serentil
lidanil
lidanar
NSC186066 ,
tps23
phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylsulfinyl)-
thioridazine thiomethyl sulfoxide
nsc-186066
t-2-so
thd-2-so
10h-phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfinyl)-
10-[2(1-methyl-2-piperidyl)ethyl]-2-(methylsulfinyl)phenothiazine
nc-123
tps-23
10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfinyl phenothiazine
NCI60_001547
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfinyl)-10h-phenothiazine
mesoridazine (usan/inn)
lidanar (tn)
D02671
hsdb 3357
10-(2(1-methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)-phenothiazine
mesoridazina [inn-spanish]
10h-phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)-
nsc 186066
mesoridazinum [inn-latin]
10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)-10h-phenothiazine
BIOMOL-NT_000013
BSPBIO_000517
PRESTWICK2_000529
PRESTWICK3_000529
AB00513854
5588-33-0
mesoridazine
C07143
10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfinyl-phenothiazine
10-(2-(1-methyl-2-piperidyl)ethyl)-2-methylsulfinyl phenothiazine
thioridazine 2-sulfoxide
DB00933
2-methanesulfinyl-10-[2-(1-methyl-piperidin-2-yl)-ethyl]-10h-phenothiazine
10-(2(1-methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine
NCGC00163157-01
SPBIO_002438
PRESTWICK1_000529
BPBIO1_001167
BPBIO1_000569
NCGC00163157-02
NCGC00163157-03
HMS2090H22
10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10h-phenothiazine
bdbm50131440
L000852
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
NCGC00163157-04
tox21_112018
dtxsid3023265 ,
cas-5588-33-0
tox21_110052
NCGC00014529-01
dtxcid503265
unii-5xe4nwm740
5xe4nwm740 ,
mesoridazine [usan:inn:ban]
FT-0671034
gtpl7227
mesoridazine [inn]
mesoridazine [mart.]
mesoridazine [mi]
mesoridazine [usan]
10-[2(1-methyl-2-piperidyl)ethyl]-2-(methylsulfinyl)-phenothiazine
thioridazine hydrochloride impurity b [ep impurity]
mesoridazine [vandf]
mesoridazine [who-dd]
mesoridazine [hsdb]
thioridazine impurity b [ep impurity]
NS-531
SCHEMBL19735
NCGC00163157-05
tox21_110052_1
SLVMESMUVMCQIY-UHFFFAOYSA-N
tox21 112018
AB00513854_12
AB00513854_13
2-methanesulfinyl-10-[2-(1-methylpiperidin-2-yl)ethyl]-10h-phenothiazine
SR-01000759425-4
mesoridazine free base
AKOS027378787
Q6821618
5588-33-0 (free base)
nsc 186066; serentil; tps 23
EN300-19767162
HY-B1482A
CS-0013666

Research Excerpts

Overview

ExcerptReference
"Mesoridazine is a short half-life phenothiazine useful as a hypnotic."( Carruthers-Jones, DI, 1975)

Roles (2)

RoleDescription
dopaminergic antagonistA drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
first generation antipsychoticAntipsychotic drugs which can have different modes of action but which tend to be more likely than second generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements; such body movements can become permanent even after treatment has ceased.
[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 (3)

ClassDescription
phenothiazines
sulfoxideAn organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H).
tertiary amino compoundA compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (20)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
acetylcholinesteraseHomo sapiens (human)Potency29.60830.002541.796015,848.9004AID1347395; AID1347398
RAR-related orphan receptor gammaMus musculus (house mouse)Potency28.22630.006038.004119,952.5996AID1159521; AID1159523
TDP1 proteinHomo sapiens (human)Potency31.67680.000811.382244.6684AID686978; AID686979
GLI family zinc finger 3Homo sapiens (human)Potency4.08800.000714.592883.7951AID1259369; AID1259392
Microtubule-associated protein tauHomo sapiens (human)Potency39.81070.180013.557439.8107AID1468
AR proteinHomo sapiens (human)Potency0.00240.000221.22318,912.5098AID743042
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency30.04740.001022.650876.6163AID1224838; AID1224893
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency17.78280.01237.983543.2770AID1346984
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency6.37350.000214.376460.0339AID720691
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency29.98130.003041.611522,387.1992AID1159552; AID1159553; AID1159555
pregnane X nuclear receptorHomo sapiens (human)Potency12.14290.005428.02631,258.9301AID1346982; AID1346985
cytochrome P450 2D6Homo sapiens (human)Potency0.02190.00108.379861.1304AID1645840
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency5.62340.035520.977089.1251AID504332
thyroid stimulating hormone receptorHomo sapiens (human)Potency24.16190.001628.015177.1139AID1224895; AID1259385; AID1259395
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency12.06520.057821.109761.2679AID1159526; AID1159528
potassium voltage-gated channel subfamily H member 2 isoform dHomo sapiens (human)Potency8.91250.01789.637444.6684AID588834
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency16.83470.000323.4451159.6830AID743065; AID743067
peripheral myelin protein 22Rattus norvegicus (Norway rat)Potency36.12540.005612.367736.1254AID624032
Spike glycoproteinSevere acute respiratory syndrome-related coronavirusPotency18.54780.009610.525035.4813AID1479145; AID1479148
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Potassium voltage-gated channel subfamily H member 2Homo sapiens (human)IC50 (µMol)0.35880.00091.901410.0000AID161281; AID243151; AID397743; AID408340; AID576612
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (22)

Processvia Protein(s)Taxonomy
regulation of heart rate by cardiac conductionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of heart rate by hormonePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of membrane potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
positive regulation of DNA-templated transcriptionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion homeostasisPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
cardiac muscle contractionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of membrane repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of ventricular cardiac muscle cell membrane repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
cellular response to xenobiotic stimulusPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
ventricular cardiac muscle cell action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane depolarization during action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarization during action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarization during cardiac muscle cell action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of heart rate by cardiac conductionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion export across plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarization during ventricular cardiac muscle cell action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
negative regulation of potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
positive regulation of potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
negative regulation of potassium ion export across plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion import across plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (12)

Processvia Protein(s)Taxonomy
transcription cis-regulatory region bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
inward rectifier potassium channel activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
delayed rectifier potassium channel activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
protein bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
ubiquitin protein ligase bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
identical protein bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
protein homodimerization activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
C3HC4-type RING finger domain bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel activity involved in cardiac muscle cell action potential repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
scaffold protein bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (6)

Processvia Protein(s)Taxonomy
virion membraneSpike glycoproteinSevere acute respiratory syndrome-related coronavirus
plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
cell surfacePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
perinuclear region of cytoplasmPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel complexPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
inward rectifier potassium channel complexPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (87)

Assay IDTitleYearJournalArticle
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID23973Partition coefficient (logD, measured by HPLC, log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID588220Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset2008Toxicology mechanisms and methods, , Volume: 18, Issue:2-3
Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
AID1148004Oleyl alcohol-water partition coefficient, Rm of the compound measured at 0% methanol by reverse-phase thin layer chromatography1977Journal of medicinal chemistry, Mar, Volume: 20, Issue:3
Quantitative correlations between albumin binding constants and chromatographic Rm values of phenothiazine derivatives.
AID625283Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625292Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID781329pKa (acid-base dissociation constant) as determined by other workers2014Pharmaceutical research, Apr, Volume: 31, Issue:4
Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID625288Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID408340Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique2008Bioorganic & medicinal chemistry, Jun-01, Volume: 16, Issue:11
Support vector machines classification of hERG liabilities based on atom types.
AID625290Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID395325Lipophilicity, log P by microemulsion electrokinetic chromatography2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.
AID625281Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625287Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625282Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID26294Partition coefficient (logD) (HPLC)1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID625280Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID26295Partition coefficient (logD) (HPLC)1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID243151Inhibitory concentration against potassium channel HERG2005Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.
AID588208Literature-mined public compounds from Lowe et al phospholipidosis modelling dataset2010Molecular pharmaceutics, Oct-04, Volume: 7, Issue:5
Predicting phospholipidosis using machine learning.
AID397743Inhibition of human ERG channel2009Journal of medicinal chemistry, Jul-23, Volume: 52, Issue:14
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.
AID26296Partition coefficient (logD7.4)1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID625284Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID23961logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID23960logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID625286Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625289Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID23965logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID625279Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
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.
AID781330pKa (acid-base dissociation constant) as determined by potentiometric titration2014Pharmaceutical research, Apr, Volume: 31, Issue:4
Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID625285Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID23970logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID395324Lipophilicity, log D at pH 7.4 by liquid chromatography2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.
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.
AID576612Inhibition of human ERG2011European journal of medicinal chemistry, Feb, Volume: 46, Issue:2
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.
AID23963logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID161281Inhibition of human Potassium channel HERG expressed in mammalian cells2003Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.
AID23968logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID395327Dissociation constant, pKa by capillary electrophoresis2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.
AID625291Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID395326Fraction unbound in rat brain2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.
AID23959logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID23971logD (measured by HPLC) (as log k')1981Journal of medicinal chemistry, Mar, Volume: 24, Issue:3
Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.
AID1224817Assays to identify small molecules inhibitory for eIF4E expression2015Chemistry & biology, Jul-23, Volume: 22, Issue:7
Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds.
AID1508627Counterscreen qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: GLuc-NoTag assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1508629Cell Viability qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1508628Confirmatory qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID1346893Human 5-HT2C receptor (5-Hydroxytryptamine receptors)2004Bioorganic & medicinal chemistry letters, Sep-06, Volume: 14, Issue:17
Synthesis, receptor binding and functional studies of mesoridazine stereoisomers.
AID1345718Human D1 receptor (Dopamine receptors)2004Bioorganic & medicinal chemistry letters, Sep-06, Volume: 14, Issue:17
Synthesis, receptor binding and functional studies of mesoridazine stereoisomers.
AID1345833Human D3 receptor (Dopamine receptors)2004Bioorganic & medicinal chemistry letters, Sep-06, Volume: 14, Issue:17
Synthesis, receptor binding and functional studies of mesoridazine stereoisomers.
AID1259419Human 5-HT2A receptor (5-Hydroxytryptamine receptors)2004Bioorganic & medicinal chemistry letters, Sep-06, Volume: 14, Issue:17
Synthesis, receptor binding and functional studies of mesoridazine stereoisomers.
AID1345788Human D2 receptor (Dopamine receptors)2004Bioorganic & medicinal chemistry letters, Sep-06, Volume: 14, Issue:17
Synthesis, receptor binding and functional studies of mesoridazine stereoisomers.
AID1345615Human 5-HT1A receptor (5-Hydroxytryptamine receptors)2004Bioorganic & medicinal chemistry letters, Sep-06, Volume: 14, Issue:17
Synthesis, receptor binding and functional studies of mesoridazine stereoisomers.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (145)

TimeframeStudies, This Drug (%)All Drugs %
pre-199092 (63.45)18.7374
1990's12 (8.28)18.2507
2000's18 (12.41)29.6817
2010's17 (11.72)24.3611
2020's6 (4.14)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 (%)
Trials27 (17.42%)5.53%
Reviews6 (3.87%)6.00%
Case Studies12 (7.74%)4.05%
Observational0 (0.00%)0.25%
Other110 (70.97%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (1)

Trial Overview

TrialPhaseEnrollmentStudy TypeStart DateStatus
Atypical Antipsychotics and Hyperglycemic Emergencies: Multicentre, Retrospective Cohort Study of Administrative Data[NCT02582736]725,489 participants (Actual)Observational2012-04-30Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
chlorpromazine[no description available]high303organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpromazine[no description available]high300organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
fluphenazine[no description available]high30N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
perazine[no description available]high10N-alkylpiperazine;
N-methylpiperazine;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug
periciazine[no description available]high20hydroxypiperidine;
nitrile;
phenothiazines		adrenergic antagonist;
first generation antipsychotic;
sedative
perphenazine[no description available]high80N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
prochlorperazine[no description available]high70N-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
promazine[no description available]high70phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazine[no description available]high70phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
thioridazine[no description available]high789phenothiazines;
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
thioridazine[no description available]high780phenothiazines;
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
trifluoperazine[no description available]high40N-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
triflupromazine[no description available]high20organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trimeprazine[no description available]medium20phenothiazines
sulfaethidole[no description available]medium10benzenes;
sulfonamide
butaperazine[no description available]medium20phenothiazines
dixyrazine[no description available]medium10phenothiazines
methopromazine[no description available]medium10phenothiazines
quinacrine[no description available]medium30acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
benzene[no description available]medium10aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
amitriptyline[no description available]medium100carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amitriptyline[no description available]medium101carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
chlorpheniramine[no description available]medium80monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
clomipramine[no description available]medium50dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
cyproheptadine[no description available]medium20piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
desipramine[no description available]medium110dibenzoazepine;
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
dibucaine[no description available]medium10aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic
benzophenone[no description available]medium10benzophenonesphotosensitizing agent;
plant metabolite
doxepin[no description available]high40dibenzooxepine;
tertiary amino compound		antidepressant
lidocaine[no description available]high80benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
imipramine[no description available]medium130dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
imipramine[no description available]medium131dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
mepivacaine[no description available]medium30piperidinecarboxamidedrug allergen;
local anaesthetic
nortriptyline[no description available]medium70organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
tilorone[no description available]medium30aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
nitrobenzene[no description available]medium10nitroarene;
nitrobenzenes
anisole[no description available]medium10monomethoxybenzeneplant metabolite
chlorobenzene[no description available]medium10monochlorobenzenessolvent
acridines[no description available]medium10acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene		genotoxin
dextropropoxyphene[no description available]medium401-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
fluanisone[no description available]medium10aromatic ketone
acetophenazine[no description available]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines		phenothiazine antipsychotic drug
indoramin[no description available]medium30tryptamines
quinidine[no description available]medium90cinchona 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
chlorprothixene[no description available]medium40chlorprothixene
clozapine[no description available]medium110benzodiazepine;
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
alosetron[no description available]medium50imidazoles;
pyridoindole		antiemetic;
gastrointestinal drug;
serotonergic antagonist
amiodarone[no description available]medium801-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
astemizole[no description available]medium40benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
bepridil[no description available]medium50pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
verapamil[no description available]medium70aromatic ether;
nitrile;
polyether;
tertiary amino compound
carvedilol[no description available]medium60carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
cetirizine[no description available]medium50ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
ciprofloxacin[no description available]medium60aminoquinoline;
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
cisapride[no description available]medium50benzamides
citalopram[no description available]medium902-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
diphenhydramine[no description available]medium70ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
disopyramide[no description available]medium70monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
droperidol[no description available]medium60aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
e 4031[no description available]medium40sulfonamide
epinastine[no description available]medium30benzazepine;
guanidines		anti-allergic agent;
H1-receptor antagonist;
histamine antagonist;
ophthalmology drug
flecainide[no description available]medium80aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluoxetine[no description available]medium80(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
haloperidol[no description available]high284aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
haloperidol[no description available]high280aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
ketoconazole[no description available]medium90dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
loratadine[no description available]medium70benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
mefloquine hydrochloride[no description available]medium40organofluorine compound;
piperidines;
quinolines;
secondary alcohol
nifedipine[no description available]medium50C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nitrendipine[no description available]medium50C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
ofloxacin[no description available]medium803-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
ondansetron[no description available]medium50carbazoles
perhexiline[no description available]medium60piperidinescardiovascular drug
risperidone[no description available]medium701,2-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
gatifloxacin[no description available]medium50N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
terfenadine[no description available]medium70diarylmethane
trimethoprim[no description available]medium50aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
vesnarinone[no description available]medium30organic molecular entity
pimozide[no description available]medium70benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
halofantrine[no description available]medium50phenanthrenes
diltiazem[no description available]medium505-[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
sertindole[no description available]medium50heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole		alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
sparfloxacin[no description available]medium30fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
mibefradil[no description available]medium30tetralinsT-type calcium channel blocker
ibutilide[no description available]medium50benzenes;
organic amino compound
mizolastine[no description available]medium40benzimidazoles
terikalant[no description available]medium30piperidines
uk 68798[no description available]medium50aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
grepafloxacin[no description available]medium40fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
clarithromycin[no description available]medium70macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
nicotine[no description available]medium603-(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
tecastemizole[no description available]medium20
levofloxacin[no description available]medium709-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
moxifloxacin[no description available]medium60aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
desmethylastemizole[no description available]medium20benzimidazoles
mefloquine hydrochloride[no description available]medium10
cocaine[no description available]medium40benzoate 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
dolasetron[no description available]medium40indolyl carboxylic acid
1-[4-[4-[[(2R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone[no description available]medium10piperazines
azimilide[no description available]medium40imidazolidine-2,4-dione
sildenafil[no description available]medium60piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
olanzapine[no description available]medium90benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
norclozapine[no description available]medium50dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
domperidone[no description available]medium40benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
ebastine[no description available]medium20organic molecular entity
fentanyl[no description available]medium20anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
granisetron[no description available]medium30aromatic amide;
indazoles
lidoflazine[no description available]medium20diarylmethane
meperidine[no description available]medium40ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
methadone[no description available]medium30benzenes;
diarylmethane;
ketone;
tertiary amino compound
prazosin[no description available]medium30aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
procainamide[no description available]medium60benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
ziprasidone[no description available]medium601,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine[no description available]medium10
tolterodine[no description available]medium30tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
codeine[no description available]medium30morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
morphine[no description available]medium30morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
mdl 74156[no description available]medium20
bupropion[no description available]medium40aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
tacrine[no description available]medium30acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol[no description available]medium30aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
alprenolol[no description available]medium20secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
amantadine[no description available]medium50adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
amoxapine[no description available]medium30dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
benzocaine[no description available]medium10benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
bay h 4502[no description available]medium10biphenyls;
imidazoles
buspirone[no description available]medium60azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
caffeine[no description available]medium50purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
carbamazepine[no description available]medium50dibenzoazepine;
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
carisoprodol[no description available]medium20carbamate estermuscle relaxant
chloroquine[no description available]medium50aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
clonidine[no description available]medium40clonidine;
imidazoline
cyclobenzaprine[no description available]medium30carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
diazepam[no description available]medium901,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
fluconazole[no description available]medium20conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flumazenil[no description available]medium20ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
hydroxyzine[no description available]medium50hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
hydroxyzine[no description available]medium51hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ketorolac[no description available]medium30amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
lamotrigine[no description available]medium201,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
loxapine[no description available]medium40dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
maprotiline[no description available]medium50anthracenes
mebendazole[no description available]medium20aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
methylphenidate[no description available]medium30beta-amino acid ester;
methyl ester;
piperidines
metoclopramide[no description available]high30benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metoprolol[no description available]medium40aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
midazolam[no description available]medium30imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
mirtazapine[no description available]medium30benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
nefopam[no description available]medium10benzoxazocine;
tertiary amino compound
papaverine[no description available]medium30benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
pindolol[no description available]medium40indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
primaquine[no description available]medium30aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
procaine[no description available]medium30benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
propranolol[no description available]medium60naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
pyrilamine[no description available]medium10aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
quetiapine[no description available]medium30dibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine		adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
ranitidine[no description available]medium20aralkylamine
sumatriptan[no description available]medium50sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
tetracaine[no description available]medium20benzoate ester;
tertiary amino compound		local anaesthetic
trazodone[no description available]medium30monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
venlafaxine[no description available]medium40cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
zolpidem[no description available]medium20imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
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
selegiline[no description available]medium40selegiline;
terminal acetylenic compound		geroprotector
paroxetine[no description available]medium30aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
pergolide[no description available]medium40diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist
atropine[no description available]medium60
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium30dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
piroxicam[no description available]medium30benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
fananserin[no description available]medium10naphthalenes;
sulfonic acid derivative
paliperidone[no description available]medium301,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
maraviroc[no description available]medium20tropane alkaloid
mdl 100907[no description available]medium10
1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine[no description available]medium10
naluzotan[no description available]medium10
clozapine n-oxide[no description available]medium10dibenzodiazepine
desmethylolanzapine[no description available]medium20benzodiazepine
adenine[no description available]medium106-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
benzyl alcohol[no description available]medium10benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
betaine[no description available]medium20amino-acid betaine;
glycine derivative		fundamental metabolite
lactic acid[no description available]medium102-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
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
glycerol[no description available]medium10alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
alpha-glycerophosphoric acid[no description available]medium10glycerol monophosphatealgal metabolite;
human metabolite
histamine[no description available]medium20aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
inositol[no description available]medium20cyclitol;
hexol
niacin[no description available]medium30pyridine 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
succinic acid[no description available]medium10alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid		anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
acetaminophen[no description available]medium30acetamides;
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
methacholine[no description available]medium10acetate ester;
quaternary ammonium ion		bronchoconstrictor agent;
cholinergic agonist;
epitope;
muscarinic agonist;
vasodilator agent
albendazole[no description available]medium20aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
ambroxol[no description available]medium20aromatic amine
aminoglutethimide[no description available]medium10dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
antazoline[no description available]medium10aromatic amine;
imidazolines;
tertiary amino compound		cholinergic antagonist;
H1-receptor antagonist;
xenobiotic
barbital[no description available]medium10barbituratesdrug allergen
bendroflumethiazide[no description available]medium20benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzamide[no description available]medium20benzamides
benzquinamide[no description available]medium10monocarboxylic acid amideantiemetic;
antipsychotic agent;
H1-receptor antagonist;
muscarinic antagonist;
sedative
bethanidine[no description available]medium10guanidinesadrenergic antagonist;
antihypertensive agent
betaxolol[no description available]medium30propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bisacodyl[no description available]medium20diarylmethane
bromhexine[no description available]medium20organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic
bunitrolol[no description available]medium10aromatic ether
bupranolol[no description available]medium10aromatic ether
butalbital[no description available]medium10barbituratesanalgesic;
sedative
metrizoate[no description available]medium10monocarboxylic acidradioopaque medium
carbazochrome[no description available]medium10
carbinoxamine[no description available]medium20monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
carmustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
chlorcyclizine[no description available]medium30diarylmethane
chlorothiazide[no description available]medium20benzothiadiazineantihypertensive agent;
diuretic
chloroxine[no description available]medium10monohydroxyquinoline;
organochlorine compound		antibacterial agent;
antifungal drug;
antiseborrheic
chlorpropamide[no description available]medium20monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
cimetidine[no description available]medium30aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
ciprofibrate[no description available]medium20cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
clioquinol[no description available]medium10monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clofazimine[no description available]medium10monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
cyclandelate[no description available]medium10carboxylic ester;
secondary alcohol		vasodilator agent
cyclofenil[no description available]medium20organic molecular entity
debrisoquin[no description available]medium30carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
debrisoquin[no description available]medium32carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
amphetamine[no description available]medium20primary amine
dichlorphenamide[no description available]medium20dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
diphenidol[no description available]medium10benzenes;
piperidines;
tertiary alcohol		antiemetic
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
doxylamine[no description available]medium20pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
dyphylline[no description available]medium20oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
profenamine[no description available]medium10phenothiazines;
tertiary amino compound		adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
ethyl loflazepate[no description available]medium20organic molecular entity
etizolam[no description available]medium10organic molecular entity
brl 42810[no description available]medium202-aminopurines;
acetate ester		antiviral drug;
prodrug
fenfluramine[no description available]medium20(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
fenoprofen[no description available]medium20monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
berotek[no description available]medium20resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
flavoxate[no description available]medium20carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
flucytosine[no description available]medium20aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flufenamic acid[no description available]medium20aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluorouracil[no description available]medium20nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluphenazine depot[no description available]high10decanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug
fluphenazine enanthate[no description available]medium10phenothiazines
flurazepam[no description available]high301,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound		anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative
flutazolam[no description available]medium10hemiaminal ether;
organic molecular entity
furosemide[no description available]medium40chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gemfibrozil[no description available]medium30aromatic etherantilipemic drug
gliclazide[no description available]medium10N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
guanethidine[no description available]medium20azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
hexylresorcinol[no description available]medium10resorcinols
homochlorocyclizine[no description available]medium20diarylmethane
hydralazine[no description available]medium20azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydroflumethiazide[no description available]medium20benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
amrinone[no description available]medium20bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
iodamide[no description available]medium10benzoic acids;
organoiodine compound		radioopaque medium
iothalamic acid[no description available]medium10organic molecular entity
iodipamide[no description available]medium10benzoic acids;
organoiodine compound;
secondary carboxamide		radioopaque medium
isoniazid[no description available]medium20carbohydrazideantitubercular agent;
drug allergen
isopropamide iodide[no description available]medium10diarylmethane
isoxsuprine[no description available]medium20alkylbenzene
ketotifen[no description available]medium10cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist
labetalol[no description available]medium50benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
leflunomide[no description available]medium20(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
lorazepam[no description available]medium20benzodiazepine
memantine[no description available]medium30adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
vitamin k 3[no description available]medium201,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
metformin[no description available]medium30guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methapyrilene[no description available]medium20ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
methocarbamol[no description available]medium20aromatic ether;
carbamate ester;
secondary alcohol
methyprylon[no description available]medium10organic molecular entity
metronidazole[no description available]medium20C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
metyrapone[no description available]medium20aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin[no description available]medium20dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
modafinil[no description available]medium20monocarboxylic acid amide;
sulfoxide
moxisylyte[no description available]medium20monoterpenoid
nalidixic acid[no description available]medium301,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nefazodone[no description available]medium30aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nimetazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
nimodipine[no description available]medium202-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nitrazepam[no description available]medium201,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nitrazepam[no description available]medium211,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nomifensine[no description available]medium20isoquinolinesdopamine uptake inhibitor
omeprazole[no description available]medium20aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
oxamniquine[no description available]medium10aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
oxolinic acid[no description available]medium10aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor
pargyline[no description available]medium10aromatic amine
pentobarbital[no description available]medium30barbituratesGABAA receptor agonist
pentoxifylline[no description available]medium30oxopurine
phenacemide[no description available]medium10acetamides
phenacetin[no description available]medium20acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenazopyridine[no description available]medium10diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
phenindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant
pheniramine[no description available]medium10pyridines;
tertiary amino compound
phenobarbital[no description available]medium70barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenolphthalein[no description available]medium10phenols
phentermine[no description available]medium30primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
pyranoprofen[no description available]medium10pyridochromene
probenecid[no description available]medium30benzoic acids;
sulfonamide		uricosuric drug
proglumide[no description available]medium10benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate		anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite
propiomazine[no description available]high10aromatic ketone;
phenothiazines;
tertiary amino compound		dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist
protriptyline[no description available]medium20carbotricyclic compoundantidepressant
proxyphylline[no description available]medium10oxopurine
rizatriptan[no description available]medium20tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
rofecoxib[no description available]medium10butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
salicylsalicylic acid[no description available]medium20benzoate 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]medium20barbituratesanaesthesia adjuvant;
GABA modulator;
sedative
ipodate[no description available]medium10
sotalol[no description available]medium40ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
succinylcholine[no description available]medium20quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent
sulfadimethoxine[no description available]medium10aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamethoxazole[no description available]medium20isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfobromophthalein[no description available]medium102-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye
suramin[no description available]medium30naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
terazosin[no description available]medium30furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terbutaline[no description available]medium30phenylethanolamines;
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]medium20phthalimides;
piperidones
tiaramide[no description available]medium10benzothiazoles
ticlopidine[no description available]medium20monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tiopronin[no description available]medium20N-acyl-amino acid
tizanidine[no description available]medium20benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
tolperisone[no description available]medium10aromatic ketone
ultram[no description available]medium20aromatic ether;
tertiary alcohol;
tertiary amino compound
trichlormethiazide[no description available]medium10benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic
trifluperidol[no description available]medium10aromatic ketone
trimebutine[no description available]medium10trihydroxybenzoic acid
trimethadione[no description available]medium20oxazolidinoneanticonvulsant;
geroprotector
trimipramine[no description available]medium40dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
tripelennamine[no description available]medium20aromatic amine
troglitazone[no description available]medium20chromanes;
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
delavirdine[no description available]medium20aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor
lysergic acid diethylamide[no description available]medium20ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound		dopamine agonist;
hallucinogen;
serotonergic agonist
phentolamine[no description available]medium20imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
sorbitol[no description available]medium20glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
norethindrone acetate[no description available]medium103-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound		progestin;
synthetic oral contraceptive
cyclobarbital[no description available]medium10barbiturates
norethandrolone[no description available]medium10corticosteroid hormone
oxandrolone[no description available]medium2017beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid		anabolic agent;
androgen
pilocarpine[no description available]medium20pilocarpineantiglaucoma drug
desoxycorticosterone acetate[no description available]medium10corticosteroid hormone
chloramphenicol[no description available]medium30C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
lysine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
ethinyl estradiol[no description available]medium3017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
cysteamine[no description available]medium20amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
bretylium tosylate[no description available]medium10organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
leucine[no description available]medium20amino 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
gallamine triethiodide[no description available]medium10
cytarabine[no description available]medium20beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
4-hydroxypropiophenone[no description available]medium10acetophenones
methandrostenolone[no description available]medium10organic molecular entity
quinethazone[no description available]medium10quinazolinesantihypertensive agent;
diuretic
tribromoethanol[no description available]medium10alcohol;
organobromine compound
mepenzolate bromide[no description available]medium10diarylmethane
carbromal[no description available]medium10N-acylurea
triparanol[no description available]medium20stilbenoidanticoronaviral agent
pantothenic acid[no description available]medium10pantothenic acid;
vitamin B5		antidote to curare poisoning;
geroprotector;
human blood serum metabolite
cyclizine[no description available]medium20N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
buclizine[no description available]medium10monochlorobenzenes;
N-alkylpiperazine		antiemetic;
central nervous system depressant;
cholinergic antagonist;
histamine antagonist;
local anaesthetic
thiopropazate[no description available]high10acetate ester;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug
acetrizoic acid[no description available]medium10aminobenzoic acid
penicillin v[no description available]medium30penicillin allergen;
penicillin
pseudoephedrine[no description available]medium20phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
propylparaben[no description available]medium10benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
methylparaben[no description available]medium10parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
estradiol dipropionate[no description available]medium10steroid ester
paramethadione[no description available]medium10oxazolidinoneanticonvulsant
framycetin[no description available]medium10aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
anileridine[no description available]medium10ethyl ester;
piperidinecarboxylate ester;
substituted aniline		opioid analgesic;
opioid receptor agonist
ditiocarb[no description available]medium10dithiocarbamic acidschelator;
copper chelator
sulfalene[no description available]medium10pyrazines;
sulfonamide antibiotic;
sulfonamide
propantheline bromide[no description available]medium10xanthenes
ephedrine[no description available]medium30phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
chlormadinone acetate[no description available]medium10corticosteroid hormone
norchlorcyclizine[no description available]medium20
evans blue[no description available]medium10organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
opipramol[no description available]medium10dibenzoazepine
carbutamide[no description available]medium10benzenes;
sulfonamide
glymidine[no description available]medium10diether;
pyrimidines;
sulfonamide		hypoglycemic agent
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine[no description available]medium20aromatic amine
prenylamine[no description available]medium20diarylmethane
nandrolone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid		human metabolite
thiazolidine-4-carboxylic acid[no description available]medium10alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
sulfur-containing amino acid;
thiazolidinemonocarboxylic acid		antidote;
antioxidant;
hepatoprotective agent
chlorphentermine[no description available]medium20amphetamines
lucanthone[no description available]medium10thioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug
dichloralantipyrine[no description available]medium10
emetine[no description available]medium20isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
dihydralazine[no description available]medium10phthalazines
methallenestril[no description available]medium10naphthalenes
androstenediol[no description available]medium1017beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid		androgen;
human metabolite;
mouse metabolite;
radiation protective agent
levocarnitine[no description available]medium20carnitineantilipemic drug;
nootropic agent;
nutraceutical;
Saccharomyces cerevisiae metabolite;
water-soluble vitamin (role)
decamethonium dibromide[no description available]medium10
thiphenamil[no description available]medium10diarylmethane
metahexamide[no description available]medium10benzenes;
sulfonamide
phenindamine[no description available]medium10indene
2-amino-2-methyl-1-propanol[no description available]medium10
phendimetrazine[no description available]medium10
trimetozine[no description available]medium10morpholines
erythromycin[no description available]medium40cyclic ketone;
erythromycin
vinblastine[no description available]medium20
oxolamine[no description available]medium10oxadiazole;
ring assembly
ethylestrenol[no description available]medium1017beta-hydroxy steroid;
tertiary alcohol		anabolic agent
dehydroepiandrosterone acetate[no description available]medium10steroid ester
metaxalone[no description available]medium20aromatic ether
spectinomycin[no description available]medium30cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
paraquat[no description available]medium20organic cationgeroprotector;
herbicide
clothiapine[no description available]medium10dibenzothiazepine
azaribine[no description available]medium10acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug
sulfadoxine[no description available]medium10pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
cephaloglycin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antimicrobial agent
streptomycin[no description available]medium20antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
noxiptilin[no description available]medium20organic tricyclic compound
benorilate[no description available]medium10carbonyl compound
metocurine[no description available]medium10isoquinolines
floxacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
clomacran[no description available]medium30acridines
iprindole[no description available]medium20indoles
isometheptene[no description available]medium10secondary amino compound
olsalazine[no description available]medium20azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
molindone[no description available]medium20indoles
hexocyclium[no description available]medium10amine
ancitabine[no description available]medium10diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug
clortermine[no description available]medium10amphetamines
nicofuranose[no description available]medium10organooxygen compound
apazone[no description available]medium10benzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug
cloforex[no description available]medium20amphetamines
levamisole[no description available]medium106-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
clobutinol[no description available]medium10benzenes;
organic amino compound
thiamphenicol[no description available]medium10monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
isosorbide-5-mononitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
razoxane[no description available]medium10N-alkylpiperazine
fludarabine phosphate[no description available]medium20nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
proquazone[no description available]medium10pyrimidines
halazepam[no description available]medium10organic molecular entity
ripazepam[no description available]medium10benzenes
amoxicillin[no description available]medium30penicillin allergen;
penicillin		antibacterial drug
moricizine[no description available]medium20carbamate ester;
morpholines;
phenothiazines		anti-arrhythmia drug
zidovudine[no description available]medium30azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
feprazone[no description available]medium10organic molecular entity
tobramycin[no description available]medium20amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
etoposide[no description available]medium30beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
etidocaine[no description available]medium10amino acid amidelocal anaesthetic
ribavirin[no description available]medium201-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin[no description available]medium30alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
methyldopa[no description available]medium40L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
epirubicin[no description available]medium20aminoglycoside;
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
prenalterol[no description available]medium10aromatic ether
lorcainide[no description available]medium10acetamides
idarubicin[no description available]medium20anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
atracurium[no description available]medium20diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
doxofylline[no description available]medium10oxopurineanti-asthmatic drug;
antitussive;
bronchodilator agent
alfentanil[no description available]medium20monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
cefotetan[no description available]medium20
quinapril[no description available]medium20dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
esmolol[no description available]medium20aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
tiagabine[no description available]medium20beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
lamivudine[no description available]medium20monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
adenosine[no description available]medium20adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
ceftezole[no description available]medium10cephalosporin;
thiadiazoles
hexestrol bis(diethylaminoethyl ether)[no description available]medium20stilbenoid
disobutamide[no description available]medium20acetamides
sertraline[no description available]medium30dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
dipropylacetamide[no description available]medium10fatty amidegeroprotector;
metabolite;
teratogenic agent
clociguanil[no description available]medium20
lividomycin[no description available]medium10lividomycinsmetabolite
gentamicin c1[no description available]medium20
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide[no description available]medium30
moexipril[no description available]medium20peptide
sennoside B[no description available]medium10oxo dicarboxylic acid;
sennosides
dimethacrine[no description available]medium20acridines
perindopril[no description available]medium20alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
5-hydroxydopamine[no description available]medium20catecholamine
tazobactam[no description available]medium10penicillanic acids;
triazoles		antiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
xylose[no description available]medium10D-xylose
clofibride[no description available]medium10monocarboxylic acid
aminopterin[no description available]medium10dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
l 694,458[no description available]medium20
carbocysteine[no description available]medium10L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		mucolytic
dromostanolone propionate[no description available]medium103-oxo-5alpha-steroid;
steroid ester		antineoplastic agent
phenethicillin[no description available]medium20penicillin allergen;
penicillin
bekanamycin[no description available]medium10kanamycins
strychnine[no description available]medium10monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
griseofulvin[no description available]medium201-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
netilmicin[no description available]medium20
hetacillin[no description available]medium10penicillinantibacterial drug
medigoxin[no description available]medium10cardenolide glycoside
betamethasone acetate[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
steroid ester;
tertiary alpha-hydroxy ketone
retinol[no description available]medium20retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
clindamycin[no description available]medium30
zithromax[no description available]medium30macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
melphalan[no description available]medium20L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
dibekacin[no description available]medium20kanamycinsantibacterial agent;
protein synthesis inhibitor
riboflavin[no description available]medium20flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
flavin mononucleotide[no description available]medium10flavin mononucleotide;
vitamin B2		bacterial metabolite;
coenzyme;
cofactor;
human metabolite;
mouse metabolite
mezlocillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
mitobronitol[no description available]medium10alcohol;
organobromine compound
prednisolone hemisuccinate[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
hemisuccinate;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
octotropine methylbromide[no description available]medium10
nsc 4347[no description available]medium10
etomidate[no description available]medium20ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium20aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
lobeline[no description available]medium10
thiothixene[no description available]medium20N-methylpiperazineanticoronaviral agent
benztropine[no description available]medium20diarylmethane
thiouracil[no description available]medium10nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
terbinafine[no description available]medium30acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
1,4-benzoquinone guanylhydrazone thiosemicarbazone[no description available]medium10
digoxin[no description available]medium20cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
tamoxifen[no description available]medium50stilbenoid;
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
zeranol[no description available]medium10macrolide
thiopental[no description available]medium10barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
toremifene[no description available]medium20aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
albutoin[no description available]medium10organonitrogen compound;
organooxygen compound
iodothiouracil[no description available]medium10organohalogen compound;
pyrimidines
tolcapone[no description available]medium202-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
bilirubin[no description available]medium20biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite
dinoprost[no description available]medium10monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
calcitriol[no description available]medium20D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
beta carotene[no description available]medium10carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
clavulanic acid[no description available]medium10oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
eprosartan[no description available]medium20dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
ethchlorvynol[no description available]medium10
rokitamycin[no description available]medium10organic molecular entity
etretinate[no description available]medium10enoate ester;
ethyl ester;
retinoid		keratolytic drug
misoprostol[no description available]medium10
epoprostenol[no description available]medium20prostaglandins Imouse metabolite
triprolidine[no description available]medium30N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
cloprednol[no description available]medium1021-hydroxy steroid
cyproterone[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
chlorinated steroid;
tertiary alpha-hydroxy ketone		androgen antagonist
estropipate[no description available]medium20piperazinium salt;
steroid sulfate
hydroxystilbamidine[no description available]medium10
levetiracetam[no description available]medium20pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
meprednisone[no description available]medium1021-hydroxy steroid
oxymorphone[no description available]medium20morphinane alkaloid
acepreval[no description available]medium10corticosteroid hormone
proscillaridin[no description available]medium10organic molecular entity
fluvoxamine[no description available]medium40(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
stilbamidine[no description available]medium20
butorphanol[no description available]medium30morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
cefixime[no description available]medium20cephalosporinantibacterial drug;
drug allergen
zimeldine[no description available]medium30styrenes
ceftriaxone[no description available]medium201,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
ceftazidime[no description available]medium30cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
trandolapril[no description available]medium20dicarboxylic 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
nitrofurantoin[no description available]medium20imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
fosinopril[no description available]medium20
abt-770[no description available]medium20
9-n-(1-propyl)erythromyclamine[no description available]medium20
azacosterol[no description available]medium20
homatropine methylbromide[no description available]medium10
vindesine[no description available]medium10
amodiaquine hydrochloride[no description available]medium20
novobiocin[no description available]medium10carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracycline[no description available]medium40
chlortetracycline[no description available]medium30
warfarin[no description available]medium30benzenes;
hydroxycoumarin;
methyl ketone
bephenium hydroxynaphthoate[no description available]medium10
phenprocoumon[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
folic acid[no description available]medium20folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
viomycin[no description available]medium10heterodetic cyclic peptide;
peptide antibiotic		antitubercular agent
dacarbazine[no description available]medium30dacarbazine
allopurinol[no description available]medium30nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
3-methylcholanthrene[no description available]medium10ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
aspirin[no description available]medium30benzoic 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
bicalutamide[no description available]medium20(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
clofibrate[no description available]medium20aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
deferoxamine[no description available]medium20acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
diclofenac[no description available]medium30amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
diflunisal[no description available]medium30monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
donepezil[no description available]medium40aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
doxapram[no description available]medium20morpholines;
pyrrolidin-2-ones		central nervous system stimulant
felbamate[no description available]medium20carbamate esteranticonvulsant;
neuroprotective agent
fenofibrate[no description available]medium20aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
flutamide[no description available]medium20(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
hydroxyurea[no description available]medium20one-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
meclizine[no description available]medium20diarylmethane
oxidopamine[no description available]medium10benzenetriol;
catecholamine;
primary amino compound		drug metabolite;
human metabolite;
neurotoxin
temozolomide[no description available]medium20imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
pirinixic acid[no description available]medium10aryl sulfide;
organochlorine compound;
pyrimidines
carbon tetrachloride[no description available]medium10chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
physostigmine[no description available]medium30carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
colchicine[no description available]medium20alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
chloroform[no description available]medium10chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
hydrazine[no description available]medium10azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
cyproterone acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin
1-naphthylisothiocyanate[no description available]medium10isothiocyanateinsecticide
stavudine[no description available]medium20dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
ethionine[no description available]medium10S-ethylhomocysteineantimetabolite;
carcinogenic agent
amineptin[no description available]medium20amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
nonachlazine[no description available]medium10
trospectomycin[no description available]medium10dioxanes
zileuton[no description available]medium201-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
synthalin a[no description available]medium10guanidineshepatotoxic agent;
hypoglycemic agent;
nephrotoxin
methotrexate[no description available]medium20dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
glucosamine[no description available]medium10D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
abacavir[no description available]medium202,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
azaserine[no description available]medium10carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
sulindac[no description available]medium20monocarboxylic 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
thioacetamide[no description available]medium10thiocarboxamidehepatotoxic agent
famotidine[no description available]medium201,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
dantrolene[no description available]medium20
hypoglycin a[no description available]medium10L-alpha-amino acid
demeclocycline[no description available]medium20
rolitetracycline[no description available]medium10
rifampin[no description available]medium20cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
3-(1-methylpyrrolidin-2-yl)pyridine[no description available]medium10N-alkylpyrrolidine;
pyridine alkaloid;
pyrrolidine alkaloid
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate[no description available]medium10catechin
4-aminopyridine[no description available]medium10aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker
phenytoin[no description available]medium60imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
phenytoin[no description available]medium61imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
amsacrine[no description available]medium10acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol[no description available]medium10aporphine alkaloid
berberine[no description available]medium10alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound		antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker
bisindolylmaleimide i[no description available]medium10
clebopride[no description available]medium10piperidines
clofilium[no description available]medium10benzenes;
organic amino compound
clotrimazole[no description available]medium20conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
cocaine[no description available]medium10
dilacor xr[no description available]medium10acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound
doxazosin[no description available]medium20aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
fexofenadine[no description available]medium20piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
glyburide[no description available]medium20monochlorobenzenes;
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
ifenprodil[no description available]medium10piperidines
indomethacin[no description available]medium30aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
avapro[no description available]medium20azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
lomefloxacin[no description available]medium30fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antimicrobial agent;
antitubercular agent;
photosensitizing agent
mexiletine[no description available]medium30aromatic ether;
primary amino compound		anti-arrhythmia drug
moclobemide[no description available]medium10benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
norfluoxetine[no description available]medium10(trifluoromethyl)benzenes
orphenadrine[no description available]medium20ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
pilsicainide[no description available]medium10organic heterobicyclic compound;
secondary carboxamide		anti-arrhythmia drug;
sodium channel blocker
chlorobutanol[no description available]medium10tertiary alcohol
brompheniramine[no description available]medium30organobromine compound;
pyridines		anti-allergic agent;
H1-receptor antagonist
terodiline[no description available]medium10diarylmethane
edifenphos[no description available]medium10organic thiophosphateantifungal agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin;
phospholipid biosynthesis inhibitor
bicifadine[no description available]medium10
aripiprazole[no description available]medium20aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
budipine[no description available]medium10diarylmethane
levobupivacaine[no description available]medium101-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamideadrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic
lopinavir[no description available]medium10amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
ecgonine methyl ester[no description available]medium10methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug
mosapride[no description available]medium10aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound
ly 97241[no description available]medium10
emd 60263[no description available]medium10
dronedarone[no description available]medium201-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
artemisin[no description available]medium10
zuclomiphene[no description available]medium10stilbenoid
glyceryl nonivamide[no description available]medium10
lumefantrine[no description available]medium10fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine		antimalarial
ave 0118[no description available]medium10
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide[no description available]medium10piperazines;
pyridines
cj 033466[no description available]medium10
gamma-aminobutyric acid[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
acetic acid[no description available]medium10monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
beta-alanine[no description available]medium10amino acid zwitterion;
beta-amino acid		agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter
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
formic acid[no description available]medium10monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
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
gallic acid[no description available]medium10trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
dihydroxyphenylalanine[no description available]medium20hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative		human metabolite
4-aminobenzoic acid[no description available]medium10aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
picolinic acid[no description available]medium10pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
propionic acid[no description available]medium10saturated fatty acid;
short-chain fatty acid		antifungal drug
pyridoxamine[no description available]medium10aminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6		Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
trimethylamine[no description available]medium10methylamines;
tertiary amine		Escherichia coli metabolite;
human xenobiotic metabolite
tryptophan[no description available]medium10alpha-amino acid;
amino acid zwitterion;
aminoalkylindole;
aromatic amino acid;
polar amino acid		Daphnia magna metabolite
2,4-dichlorophenoxyacetic acid[no description available]medium10chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
dan 2163[no description available]medium10aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic
amlodipine[no description available]medium20dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
arecoline[no description available]medium10enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine		metabolite;
muscarinic agonist
atenolol[no description available]medium20ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azelastine[no description available]medium10monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
bisoprolol[no description available]medium20secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bumetanide[no description available]medium20amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
carbidopa[no description available]medium10benzenes;
monocarboxylic acid
celiprolol[no description available]medium10aromatic ketone
cinoxacin[no description available]medium10cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent
dyclonine[no description available]medium10aromatic ketone;
piperidines		topical anaesthetic
ethacrynic acid[no description available]medium20aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
fendiline[no description available]medium10diarylmethane
fleroxacin[no description available]medium10difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
flumequine[no description available]medium103-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic
flurbiprofen[no description available]medium30fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluspirilene[no description available]medium10diarylmethane
ibuprofen[no description available]medium20monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
mephentermine[no description available]medium10amphetamines
isoproterenol[no description available]medium20catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
ketoprofen[no description available]medium20benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
mefenamic acid[no description available]medium20aminobenzoic 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
methoxyphenamine[no description available]medium10amphetaminesbeta-adrenergic agonist;
bronchodilator agent
3-Hydroxy-alpha-methyl-DL-tyrosine[no description available]medium10benzenes;
monocarboxylic acid
norfloxacin[no description available]medium20fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
oxotremorine[no description available]medium10N-alkylpyrrolidine
oxprenolol[no description available]medium10aromatic ether
aminosalicylic acid[no description available]medium20aminobenzoic acid;
phenols		antitubercular agent
propafenone[no description available]medium20aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
sulfasalazine[no description available]medium20
suprofen[no description available]medium10aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
tolmetin[no description available]medium20aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
dextroamphetamine[no description available]medium401-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
dextroamphetamine[no description available]medium411-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
penicillamine[no description available]medium20non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
penicillin g[no description available]medium20penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
isonicotinic acid[no description available]medium10pyridinemonocarboxylic acidalgal metabolite;
human metabolite
aspartic acid[no description available]medium10aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
tyrosine[no description available]medium10amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
phenylalanine[no description available]medium10amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
ampicillin[no description available]medium20beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
tryptophan[no description available]medium10erythrose 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
ethylamine[no description available]medium10primary aliphatic aminehuman metabolite
tromethamine[no description available]medium20primary amino compound;
triol		buffer
phenylpiperazine[no description available]medium10
2-naphthoic acid[no description available]medium10naphthoic acidmouse metabolite;
xenobiotic metabolite
mecoprop[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes
synephrine[no description available]medium10ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
deanol[no description available]medium10ethanolamines;
tertiary amine		curing agent;
radical scavenger
4-methylmorpholine[no description available]medium10
n-butylamine[no description available]medium10primary aliphatic amine
piperidine[no description available]medium10azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine		base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
morpholine[no description available]medium10morpholines;
saturated organic heteromonocyclic parent		NMR chemical shift reference compound
hexahydroazepine[no description available]medium10azacycloalkane;
azepanes;
saturated organic heteromonocyclic parent
ergotamine[no description available]medium10peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
n-methylpyrrolidine[no description available]medium10
triethylamine[no description available]medium10tertiary amine
meglumine[no description available]medium10hexosamine;
secondary amino compound
chloroprocaine[no description available]medium10benzoate ester;
monochlorobenzenes		central nervous system depressant;
local anaesthetic;
peripheral nervous system drug
aziridine[no description available]medium10azacycloalkane;
aziridines;
saturated organic heteromonocyclic parent		alkylating agent
dibenzepin[no description available]medium10dibenzodiazepine
galantamine[no description available]medium20benzazepine 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
trifluoroethylamine[no description available]medium10
2-fluoroethylamine[no description available]medium10
arecaidine[no description available]medium10citraconoyl group
azetidine[no description available]medium10azacycloalkane;
azetidines;
saturated organic heteromonocyclic parent
gluconic acid[no description available]medium10gluconic acidchelator;
Penicillium metabolite
methamphetamine[no description available]medium20amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
aminopenicillanic acid[no description available]medium10amino acid zwitterion;
penicillanic acids		allergen
glycyl-glycyl-glycine[no description available]medium10tripeptide zwitterion;
tripeptide
n,n-dimethylethylamine[no description available]medium10
diethylmethylamine[no description available]medium10
glycine ethyl ester[no description available]medium10
n-methylpiperidine[no description available]medium10
benzydamine[no description available]medium10aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug
tempidon[no description available]medium10piperidones
vancomycin[no description available]medium20glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
clopyralid[no description available]medium10organochlorine pesticide;
pyridines		herbicide
dimethylaminopropionitrile[no description available]medium10
5-phenylvaleric acid[no description available]medium10benzenes;
monocarboxylic acid
cyclacillin[no description available]medium20penicillinantibacterial drug
cephalexin[no description available]medium20beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
pyrrolidine[no description available]medium10azacycloalkane;
pyrrolidines;
saturated organic heteromonocyclic parent
metipranolol[no description available]medium10acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
propamocarb[no description available]medium10carbamate ester;
carbamate fungicide;
tertiary amino compound		antifungal agrochemical;
environmental contaminant;
xenobiotic
timolol[no description available]medium20timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
phenyl-2-aminoethyl sulfide[no description available]medium10
tolamolol[no description available]medium10
sq-11725[no description available]medium10
sufentanil[no description available]medium20anilide;
ether;
piperidines;
thiophenes		anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
Flamprop[no description available]medium10benzamides
remoxipride[no description available]medium10dimethoxybenzene
atomoxetine[no description available]medium20aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
atorvastatin[no description available]medium20aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
irinotecan[no description available]medium20carbamate 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
d-lactic acid[no description available]medium102-hydroxypropanoic acidEscherichia coli metabolite;
human metabolite
trovafloxacin[no description available]medium20
thiamorpholine[no description available]medium10saturated organic heteromonocyclic parent;
thiomorpholines
glycyl-glycyl-glycyl-glycine[no description available]medium10
nebivolol[no description available]medium20chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
carazolol[no description available]medium10carbazoles
methotrimeprazine[no description available]high20phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
oleandomycin[no description available]medium10oleandomycins
phenylalanyl-phenylalanyl-phenylalanine[no description available]medium10oligopeptide
3-(4-methoxybenzoyl)propionic acid[no description available]medium10
dimethylaminopropanol[no description available]medium10
rivastigmine[no description available]medium20carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
4-phenylbutylamine[no description available]medium10benzenes;
phenylalkylamine;
primary amino compound
glycinexylidide[no description available]medium10amino acid amidedrug metabolite
Trp-Trp[no description available]medium10dipeptideMycoplasma genitalium metabolite
kampirone[no description available]medium10N-arylpiperazine
isopelletierine[no description available]medium10citraconoyl group
fenpropimorph[no description available]medium10alkylbenzene
1-(2-pyridinyl)piperazine[no description available]medium10
l-lactic acid[no description available]medium10(2S)-2-hydroxy monocarboxylic acid;
2-hydroxypropanoic acid		Escherichia coli metabolite;
human metabolite
ibuprofen, (r)-isomer[no description available]medium10ibuprofen
deramciclane[no description available]medium10
aspartame[no description available]medium10carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester		apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic
naproxen[no description available]medium20methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
norpseudoephedrine[no description available]medium10amphetamines;
phenethylamine alkaloid		central nervous system stimulant;
plant metabolite;
psychotropic drug
vinpocetine[no description available]medium10alkaloidgeroprotector
e-z cinnamic acid[no description available]medium10cinnamic acidplant metabolite
cefamandole[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
sorbic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
sorbic acid
doxepin hydrochloride[no description available]medium10
4-methylumbelliferyl glucoside[no description available]medium10beta-D-glucoside;
coumarins;
monosaccharide derivative		chromogenic compound
quinine[no description available]medium30cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
dinoprostone[no description available]medium10prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
tylosin[no description available]medium10aldehyde;
disaccharide derivative;
enone;
leucomycin;
macrolide antibiotic;
monosaccharide derivative		allergen;
bacterial metabolite;
environmental contaminant;
xenobiotic
alprostadil[no description available]medium10prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
isotretinoin[no description available]medium20retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
dihydrocodeine[no description available]medium10morphinane alkaloid
naloxone[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxycodone[no description available]medium20organic heteropentacyclic compound;
semisynthetic derivative		antitussive;
mu-opioid receptor agonist;
opioid analgesic
codeine phosphate[no description available]medium10
dihydromorphine[no description available]medium10morphinane alkaloid
morphine-6-glucuronide[no description available]medium10morphinane alkaloid
enalapril[no description available]medium20dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
heroin[no description available]medium10morphinane alkaloidmu-opioid receptor agonist;
opioid analgesic;
prodrug
enalaprilat anhydrous[no description available]medium20dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
normorphine[no description available]medium10morphinane alkaloid
morphine-3-glucuronide[no description available]medium10morphinane alkaloid
1,2-dielaidoylphosphatidylethanolamine[no description available]medium10
rosaramicin[no description available]medium10aldehyde;
enone;
epoxide;
macrolide antibiotic;
monosaccharide derivative		bacterial metabolite
roxithromycin[no description available]medium10roxithromycinenvironmental contaminant;
xenobiotic
cefdinir[no description available]medium20cephalosporin;
ketoxime		antibacterial drug
phenylalanylphenylalanine[no description available]medium10dipeptide;
L-aminoacyl-L-amino acid zwitterion		human blood serum metabolite;
Mycoplasma genitalium metabolite
norcodeine[no description available]medium10morphinane alkaloid
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride[no description available]medium10
decanoylcarnitine[no description available]medium10decanoate ester;
O-acylcarnitine		human urinary metabolite
2-(3-pyridine)acetic acid[no description available]medium10monocarboxylic acid;
pyridines		human xenobiotic metabolite
ureidosuccinic acid[no description available]medium10aspartic acid derivative;
C4-dicarboxylic acid;
N-carbamoyl-amino acid		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
arabinofuranosylcytosine triphosphate[no description available]medium10pyrimidine ribonucleoside monophosphate
aminoethylphosphonic acid[no description available]medium10phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite
gamma-guanidinobutyric acid[no description available]medium10guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pentachlorophenol[no description available]medium10aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
phenylalanine[no description available]medium10alpha-amino acid;
aromatic amino acid		Daphnia magna metabolite
nsc-267703[no description available]medium10anthracycline
n-acetyltryptophan[no description available]medium10N-acetyl-amino acid;
tryptophan derivative		metabolite
tyrphostin ag957[no description available]medium10aromatic amine
2-amino-4-phosphonobutyric acid[no description available]medium10
aristolochic acid i[no description available]medium10aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
benzbromarone[no description available]medium201-benzofurans;
aromatic ketone		uricosuric drug
benzylhydrochlorothiazide[no description available]medium10benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide
eucalyptol[no description available]medium10
amberlite cg 400[no description available]medium10methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
stallimycin[no description available]medium10
ellipticine[no description available]medium10indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
glyphosate[no description available]medium10glycine derivative;
phosphonic acid		agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide
miltefosine[no description available]medium10phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
hypericin[no description available]medium10
batyl alcohol[no description available]medium10alkylglycerol
nsc 664704[no description available]medium10indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
2-amino-3-phosphonopropionic acid[no description available]medium10alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids		human metabolite;
metabotropic glutamate receptor antagonist
benzylsuccinic acid[no description available]medium10dicarboxylic acidbacterial xenobiotic metabolite
beta-lapachone[no description available]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
methoxsalen[no description available]medium20aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
oxaprozin[no description available]medium201,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
thiol
phenolsulfonphthalein[no description available]medium102,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
Picrotin, analytical standard[no description available]medium10furopyran
pomiferin[no description available]medium10isoflavanones
pridinol[no description available]medium10piperidines;
tertiary alcohol		antiparkinson drug;
muscle relaxant
sulfaquinoxaline[no description available]medium10benzenes;
sulfonamide
4-methylglutamic acid[no description available]medium10amino dicarboxylic acid;
glutamic acid derivative
pilocarpine hydrochloride[no description available]medium10hydrochloride
veratramine[no description available]medium10piperidine alkaloid
gibberellic acid[no description available]medium10C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite
santowhite powder[no description available]medium10
fentichlor[no description available]medium10aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol		antiinfective agent;
drug allergen
pyrrolidonecarboxylic acid[no description available]medium105-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid		algal metabolite
hexadecanolide[no description available]medium10macrolide
pamoic acid[no description available]medium10dicarboxylic acid
carzenide[no description available]medium10sulfonamide
estradiol 17 beta-cypionate[no description available]medium10steroid ester
lithocholic acid[no description available]medium10bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite
jervine[no description available]medium10piperidines
bicuculline[no description available]medium10benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
salicylurate[no description available]medium10N-acylglycine;
secondary carboxamide		human xenobiotic metabolite;
uremic toxin
3,5-pyridinedicarboxylic acid[no description available]medium10pyridinedicarboxylic acid
ricinine[no description available]medium10nitrile;
pyridine alkaloid;
pyridone
carinamide[no description available]medium10
3,5-dibromotyrosine[no description available]medium10monocarboxylic acid
hematoporphyrin[no description available]medium10
1H-indazol-3-amine[no description available]medium10indazoles
1,1'-methylenedi-2-naphthol[no description available]medium10
tricarballylic acid[no description available]medium10tricarboxylic acid
popop[no description available]medium101,3-oxazolesfluorochrome
2-tert-butylhydroquinone[no description available]medium10hydroquinonesfood antioxidant
7-hydroxychlorpromazine[no description available]medium10phenothiazines
cme-carbodiimide[no description available]medium10
strombine[no description available]medium10
thymolphthalein[no description available]medium10terpene lactone
1,4,5,8-naphthalenetetracarboxylic acid[no description available]medium10
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione[no description available]medium10anthracycline
hydroxyphenylazouracil[no description available]medium10
canadine[no description available]medium10aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle
pimonidazole[no description available]medium10
flavone acetic acid[no description available]medium10
trichlorophene[no description available]medium10
verapamil hydrochloride[no description available]medium10
4-aminomethylbenzoic acid[no description available]medium10benzoic acids
cedrol[no description available]medium10cedrane sesquiterpenoid;
tertiary alcohol
propazole[no description available]medium10benzimidazoles
reserpic acid[no description available]medium10yohimban alkaloid
pifexole[no description available]medium10
Diphenolic acid[no description available]medium10bisphenol
Melicopidine[no description available]medium10acridines
resorufin[no description available]medium10phenoxazine
vinburnine[no description available]medium10alkaloid
pacein[no description available]medium10
alantolactone[no description available]medium10naphthofuran;
olefinic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
tetrandrine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
stictic acid[no description available]medium10aromatic ether
gallocyanine[no description available]medium10
propylsulfonic acid[no description available]medium10
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide[no description available]medium10carbodiimide;
morpholines		cross-linking reagent
6,6'-dithiodinicotinic acid[no description available]medium10
va 061[no description available]medium10
n-acetyltyrosine, (dl)-isomer[no description available]medium10N-acetyl-amino acid;
phenols;
tyrosine derivative		human urinary metabolite
cinchonine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
n(6)-(delta(2)-isopentenyl)adenine[no description available]medium106-isopentenylaminopurinecytokinin
2-Phthalimidoglutaricacid[no description available]medium10glutamic acid derivative
nsc-87877[no description available]medium10
methyl lithocholate[no description available]medium10
nipecotic acid amide[no description available]medium10piperidinecarboxamide
dehydroabietic acid[no description available]medium10abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
4-deoxypyridoxine 5'-phosphate[no description available]medium10
4-(phenylthio)butanoic acid[no description available]medium10
bis-a-tda[no description available]medium10
1-amino-2-phenylethylphosphonic acid[no description available]medium10
4-fluoro-alpha-hydroxybenzeneacetic acid[no description available]medium10
Isopteropodin[no description available]medium10indolizines
benzpiperylone[no description available]medium10pyrazoles;
ring assembly
carboxyamido-triazole[no description available]medium10
nsc 607097[no description available]medium10
pacifenol[no description available]medium10
n-phenyliminodiacetic acid[no description available]medium10
cyc 202[no description available]medium102,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
cystamine hydrochloride[no description available]medium10
dipiperidinoethane-di-n-oxide[no description available]medium10
benzyl-beta-d-xyloside[no description available]medium10
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid[no description available]medium10dicarboxylic acid
2,4-dinitrophenylacetic acid[no description available]medium10
sitosterol, (3beta)-isomer[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
(5-Phenyl-1,2,4-triazol-3-yl)urea[no description available]medium10benzenes
fumagillol[no description available]medium10secondary alcohol;
sesquiterpenoid;
spiro-epoxide		antimicrobial agent
vacquinol-1[no description available]medium10
aspidospermine[no description available]medium10indole alkaloid
guaiol[no description available]medium10guaiane sesquiterpenoid
benzatropine methanesulfonate[no description available]medium10
pseudoyohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gant58[no description available]medium10pyridines
nsc 88915[no description available]medium10
o-acetylsolasodine[no description available]medium10
viroallosecurinine[no description available]medium10indolizines
4-methyl-2-quinazolinamine[no description available]medium10
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid[no description available]medium10
adamantoylcytarabine[no description available]medium10
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester[no description available]medium10naphthalenes
noscapine[no description available]medium10aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
LSM-1290[no description available]medium10benzazepine alkaloid;
cyclic acetal
2-glycineamide-5-chlorophenyl-2-pyrryl ketone[no description available]medium10
nsc 154020[no description available]medium10N-glycosyl compound
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid[no description available]medium102-hydroxyisophthalic acid
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one[no description available]medium10cyclic ketone;
quinuclidines
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine[no description available]medium10benzodioxoles
croton factor f1[no description available]medium10phorbol ester;
tertiary alpha-hydroxy ketone
medicarpin[no description available]medium10medicarpinplant metabolite
gitoxigenin[no description available]medium1014beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid
aromoline[no description available]medium10
nsc668394[no description available]medium10
gant 61[no description available]medium10aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor
nortriptyline hydrochloride[no description available]medium10organic tricyclic compoundgeroprotector
nsc 45641[no description available]medium10
geraniol[no description available]medium103,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol		allergen;
fragrance;
plant metabolite;
volatile oil component
aconitic acid[no description available]medium10aconitic acidfundamental metabolite
amygdalin[no description available]medium10
alpha-phenylcinnamate[no description available]medium10
curcumin[no description available]medium10aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger
ethyldimethylaminopropyl carbodiimide[no description available]medium10
tamoxifen citrate[no description available]medium10citrate saltangiogenesis inhibitor;
anticoronaviral agent
eskazine[no description available]medium10
nsc 336628[no description available]medium10
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one[no description available]medium10oxopurine
cambinol[no description available]medium10
nsc 117199[no description available]medium10
mangostin[no description available]medium10aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
coumestrol[no description available]medium10coumestans;
delta-lactone;
polyphenol		anti-inflammatory agent;
antioxidant;
plant metabolite
rottlerin[no description available]medium10aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
ellagic acid[no description available]medium10catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
7,8-dimethylalloxazine[no description available]medium107,8-dimethylbenzo[g]pteridine-2,4-dioneplant metabolite
dihydrothobainone[no description available]medium10
piperic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles		plant metabolite
abscisic acid[no description available]medium10abscisic acids
radicinin[no description available]medium10aromatic ketone
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid[no description available]medium10imidazopyrazine
hispanolone[no description available]medium10
veratridine[no description available]medium10
zimelidine hydrochloride[no description available]medium10
chlortetracycline hydrochloride[no description available]medium10
viridicatumtoxin[no description available]medium10
hematein[no description available]medium10
aminocaproic acid[no description available]medium10amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
pyridoxine[no description available]medium10hydroxymethylpyridine;
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
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
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
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
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
anastrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
azathioprine[no description available]medium10aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
bendazac[no description available]medium10indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger
bethanechol[no description available]medium10carbamate ester;
quaternary ammonium ion		muscarinic agonist
biperiden[no description available]medium10piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
busulfan[no description available]medium10methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
secbutabarbital[no description available]medium10barbiturates
candesartan[no description available]medium10benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
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
chlordiazepoxide[no description available]medium40benzodiazepine
chlordiazepoxide[no description available]medium42benzodiazepine
chlormezanone[no description available]medium101,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant
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
clomiphene[no description available]medium10tertiary amineestrogen antagonist;
estrogen receptor modulator
clonazepam[no description available]medium101,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator
chlorazepate[no description available]medium101,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
dapsone[no description available]medium10substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
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
dicyclomine[no description available]medium10carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
pentetic acid[no description available]medium10pentacarboxylic acidcopper chelator
dimercaprol[no description available]medium10dithiol;
primary alcohol		chelator
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
disulfiram[no description available]medium10organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
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
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
felodipine[no description available]medium10dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fenoldopam[no description available]medium10benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
fipexide[no description available]medium10benzodioxoles
fluorescite[no description available]medium10benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
fomepizole[no description available]medium10pyrazolesantidote;
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
gabapentin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
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
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester[no description available]medium10benzenes
guaifenesin[no description available]medium10methoxybenzenes
guanfacine[no description available]medium10acetamides
guanidine[no description available]medium10carboxamidine;
guanidines;
one-carbon compound
hydrochlorothiazide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxychloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
phenelzine[no description available]medium10primary amine
ifosfamide[no description available]medium10ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
indapamide[no description available]medium10indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
ioversol[no description available]medium10amidobenzoic acid
iproniazid[no description available]medium10carbohydrazide;
pyridines
isocarboxazid[no description available]medium10benzenes
isradipine[no description available]medium10benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium10piperazines
ketamine[no description available]medium20cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
lansoprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
letrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
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
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
mecamylamine[no description available]medium10primary aliphatic amine
mechlorethamine[no description available]medium10nitrogen mustard;
organochlorine compound		alkylating agent
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
mepenzolate[no description available]medium10diarylmethane
mephenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant
mephenytoin[no description available]medium21imidazolidine-2,4-dioneanticonvulsant
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
metaproterenol[no description available]medium10aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methyclothiazide[no description available]medium10benzothiadiazine
metolazone[no description available]medium10organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
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
mitotane[no description available]medium10diarylmethane
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nadolol[no description available]medium10tetralins
naratriptan[no description available]medium10heteroarylpiperidine;
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
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
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
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
oxazepam[no description available]medium201,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxybutynin[no description available]medium10acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
pamidronate[no description available]medium10phosphonoacetic acid
pantoprazole[no description available]medium10aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
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
phenoxybenzamine[no description available]medium10aromatic amine
4-phenylbutyric acid[no description available]medium10monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
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
primidone[no description available]medium20pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
procarbazine[no description available]medium10benzamides;
hydrazines		antineoplastic agent
procyclidine[no description available]medium10pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
propantheline[no description available]medium10xanthenes
propofol[no description available]medium10phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
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
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
ropinirole[no description available]medium10indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
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
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
sulfamethizole[no description available]medium10sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
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
temazepam[no description available]medium10benzodiazepine
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
thiotepa[no description available]medium10aziridines
tinidazole[no description available]medium10imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tolazamide[no description available]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium10N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tranexamic acid[no description available]medium10amino acid
triamterene[no description available]medium10pteridinesdiuretic;
sodium channel blocker
triazolam[no description available]medium10triazolobenzodiazepinesedative
trihexyphenidyl[no description available]medium20amine
trimethobenzamide[no description available]medium10benzamides;
tertiary amino compound		antiemetic
trimetrexate[no description available]medium10
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
vigabatrin[no description available]medium10gamma-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
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]high20alkaloid 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
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
spironolactone[no description available]medium103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
cysteine[no description available]medium10cysteine 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
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
triiodothyronine[no description available]medium102-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
glutamine[no description available]medium10amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
vincristine[no description available]medium10acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
apomorphine[no description available]medium20aporphine 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]medium10ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
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
mebanazine[no description available]medium10benzenes
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
benziodarone[no description available]medium10aromatic ketone
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
arginine[no description available]medium10arginine;
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
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
isosorbide dinitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
diethylpropion[no description available]medium10aromatic 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
aminophylline[no description available]medium10mixturebronchodilator agent;
cardiotonic drug
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
nandrolone decanoate[no description available]medium10steroid ester
chenodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
4-hydroxybutyric acid[no description available]medium104-hydroxy monocarboxylic acid;
hydroxybutyric acid		general anaesthetic;
GHB receptor agonist;
neurotoxin;
sedative
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
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
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
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
dronabinol[no description available]medium10benzochromene;
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
dexbrompheniramine[no description available]medium10brompheniramineanti-allergic agent;
H1-receptor antagonist
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
cladribine[no description available]medium10organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
carbenicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
methenamine hippurate[no description available]medium10N-acylglycine
sodium thiosulfate[no description available]medium10inorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
clemastine[no description available]medium10monochlorobenzenes;
N-alkylpyrrolidine		anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
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
alclofenac[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bromocriptine[no description available]medium20indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
bromocriptine[no description available]medium21indole 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
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
pirprofen[no description available]medium10pyrroline
paclitaxel[no description available]medium10taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
dobutamine[no description available]medium10catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
penbutolol[no description available]medium10ethanolamines
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
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
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
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
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
cefadroxil anhydrous[no description available]medium10cephalosporinantibacterial drug
fialuridine[no description available]medium10
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
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
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
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
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
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
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
remifentanil[no description available]medium10alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester		intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative
duloxetine[no description available]medium10duloxetine
valsartan[no description available]medium10biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
ibandronic acid[no description available]medium10
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
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
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
acamprosate[no description available]medium10acetamides;
organosulfonic acid		environmental contaminant;
neurotransmitter agent;
xenobiotic
isaxonine[no description available]medium10aminopyrimidine
hp 873[no description available]high101,2-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
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
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
tadalafil[no description available]medium10benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
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
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
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
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
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
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
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]medium10heterodetic 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
meropenem[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
cefoxitin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
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
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
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
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
fosfomycin[no description available]medium10epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
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
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
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
pyrantel[no description available]medium101,4,5,6-tetrahydropyrimidines;
carboxamidine;
thiophenes		antinematodal drug
eszopiclone[no description available]medium10zopiclonecentral nervous system depressant;
sedative
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
succimer[no description available]medium10dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid		chelator
streptozocin[no description available]medium10
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
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
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
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
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
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
indocyanine green[no description available]medium101,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
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
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
hydromorphone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic
ly 163892[no description available]medium10carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
nabilone[no description available]medium10
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]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
trospium chloride[no description available]medium10
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
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
levorphanol[no description available]medium10morphinane alkaloid
naltrexone[no description available]medium10cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
dextromethorphan[no description available]medium206-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
dextromethorphan[no description available]medium216-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
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
trientine hydrochloride[no description available]medium10
n-methylscopolamine bromide[no description available]medium10
bleomycin[no description available]medium10bleomycinantineoplastic agent;
metabolite
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
cefepime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug
pafuramidine[no description available]medium10
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
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
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
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 lactate[no description available]medium10lactate salt;
organic sodium salt		food acidity regulator;
food preservative
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
ascorbic acid[no description available]medium21ascorbic 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
oxytetracycline, anhydrous[no description available]medium10
minocycline[no description available]medium10
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
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
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
vardenafil[no description available]medium10imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine		EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
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
2-methylpentane[no description available]medium10alkane
ether[no description available]medium10ether;
volatile organic compound		inhalation anaesthetic;
non-polar solvent;
refrigerant
diethylamine[no description available]medium10secondary aliphatic amine
methanol[no description available]medium10alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
carbamates[no description available]medium10amino-acid anion
thioridazine-5-sulfoxide[no description available]medium41
1-methyl-4-phenylpyridinium[no description available]medium10pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
sulforidazine[no description available]medium170phenothiazines
sulforidazine[no description available]medium173phenothiazines
lithium[no description available]medium70alkali metal atom
lithium carbonate[no description available]medium40carbonate salt;
lithium salt		antimanic drug
thiothixene[no description available]medium30thioxanthenes
diphenhydramine hydrochloride[no description available]medium11hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
piperidines[no description available]medium10
proadifen[no description available]medium10diarylmethane
mescaline[no description available]medium10methoxybenzenes;
phenethylamine alkaloid;
primary amino compound		hallucinogen
penfluridol[no description available]medium10diarylmethane
mazindol[no description available]medium10organic molecular entity
norgestrel[no description available]medium10
flunarizine[no description available]medium10diarylmethane
spiperone[no description available]high10aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
carbachol[no description available]medium10ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
carbonates[no description available]medium10carbon oxoanion
phosphorus[no description available]medium10monoatomic phosphorus;
nonmetal atom;
pnictogen		macronutrient
mephobarbital[no description available]medium10barbituratesanticonvulsant
isomethyleugenol[no description available]medium10isomethyleugenol
eye[no description available]medium10
methiothepin[no description available]medium00aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist
pipamperone[no description available]medium00aromatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol[no description available]medium00benzazepine;
organochlorine compound;
tertiary amino compound		dopaminergic antagonist
ritanserin[no description available]low00organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
sulpiride[no description available]low00benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
thiethylperazine[no description available]medium00N-methylpiperazine;
phenothiazines		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
clopenthixol[no description available]low00N-alkylpiperazine;
primary alcohol;
thioxanthenes		alpha-adrenergic antagonist;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
azaperone[no description available]medium00aminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist
serentil[no description available]low00organosulfonate saltdopaminergic antagonist;
first generation antipsychotic
butaclamol[no description available]medium00amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist
spiramide[no description available]medium00aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
serotonergic antagonist
tetrahydropalmatine[no description available]low00an (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound		adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
aj 76[no description available]low00secondary amino compound;
tetralins		dopaminergic antagonist
lurasidone[no description available]low001,2-benzisothiazole;
bridged compound;
dicarboximide;
N-arylpiperazine		adrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
levosulpiride[no description available]low00sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
nafadotride[no description available]medium00aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound		dopaminergic antagonist
flupenthixol[no description available]low00flupenthixoldopaminergic antagonist
zuclopenthixol[no description available]low00clopenthixolalpha-adrenergic antagonist;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
lurasidone hydrochloride[no description available]low00hydrochlorideadrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
pipamperone dihydrochloride[no description available]low00hydrochloridedopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
thioridazine hydrochloride[no description available]low00hydrochloridefirst generation antipsychotic;
geroprotector
fonazine[no description available]low00phenothiazines
mequitazine[no description available]low00phenothiazines
metiazinic acid[no description available]low00phenothiazinesdrug allergen;
non-steroidal anti-inflammatory drug
thiazinamium[no description available]low00phenothiazines
acepromazine[no description available]low00aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound		phenothiazine antipsychotic drug
chlorpromazine hydrochloride[no description available]low00hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug
trifluoromethylphenothiazine[no description available]low00phenothiazines
thioproperazine[no description available]low00N-alkylpiperazine;
N-methylpiperazine;
phenothiazines;
sulfonamide		phenothiazine antipsychotic drug
metofenazate[no description available]low00N-alkylpiperazine;
organochlorine compound;
phenothiazines
pyrathiazine[no description available]low00phenothiazines
methdilazine[no description available]low00N-alkylpyrrolidine;
phenothiazines		antipruritic drug;
cholinergic antagonist;
histamine antagonist
oxomemazine[no description available]low00phenothiazines
piperacetazine[no description available]low00phenothiazines
metopimazine[no description available]low00phenothiazines
pipothiazine palmitate[no description available]low00phenothiazines
chlorfenethazine[no description available]low00phenothiazines
cyamemazine[no description available]low00phenothiazines
perphenazine decanoate[no description available]low00phenothiazines
norchlorpromazine[no description available]low00phenothiazines
promethazine sulfoxide[no description available]low00phenothiazines
diethazine[no description available]low00phenothiazines
chlorproethazine[no description available]low00phenothiazines
fluphenazine hydrochloride[no description available]low00phenothiazinesanticoronaviral agent
fenethazine[no description available]low00phenothiazines
opromazine[no description available]low00phenothiazines
10H-phenothiazine 5-oxide[no description available]low00phenothiazines
n-methylphenothiazine[no description available]low00phenothiazines
fenoverine[no description available]low00phenothiazines
didemethylchlorpromazine[no description available]low00phenothiazines
1-(10h-phenothiazin-2-yl)ethanone[no description available]low00phenothiazines
1-(10-methyl-2-phenothiazinyl)ethanone[no description available]low00phenothiazines
thioproperazine mesylate[no description available]low00phenothiazines
ethacizine[no description available]low00phenothiazines
sk&f 7172-a2[no description available]low00phenothiazines
fluoracizine[no description available]low00phenothiazines
hydromethylthionine[no description available]low00aromatic amine;
phenothiazines;
tertiary amino compound		bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite
3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanone[no description available]low00phenothiazines
chlorpromazine n-oxide[no description available]low00organochlorine compound;
phenothiazines;
tertiary amine oxide		metabolite
10-methyl-3-phenothiazinamine[no description available]low00phenothiazines
1-(2-chloro-10-phenothiazinyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone[no description available]low00phenothiazines
darunavir ethanolate[no description available]low00phenothiazines
1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanol[no description available]low00phenothiazines
2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamide[no description available]low00phenothiazines
(4-methylphenyl)-(10-phenothiazinyl)methanone[no description available]low00phenothiazines
methotrimeprazine sulfoxide[no description available]low00phenothiazines
dimethyl sulfoxide[no description available]low00sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
fipronil[no description available]low00(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide
sulfinpyrazone[no description available]low00pyrazolidines;
sulfoxide		uricosuric drug
sulforaphane[no description available]low00isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
sulmazole[no description available]low00imidazopyridine;
sulfoxide		adenosine A1 receptor antagonist;
cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
fensulfothion[no description available]low00organic thiophosphate;
organothiophosphate insecticide;
sulfoxide		agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide
iberin[no description available]low00isothiocyanate;
sulfoxide		apoptosis inducer;
plant metabolite;
quorum sensing inhibitor
diphenyl sulfoxide[no description available]low00sulfoxide
methyl phenyl sulfoxide[no description available]low00benzenes;
sulfoxide
methiocarb sulfoxide[no description available]low00carbamate ester;
sulfoxide		marine xenobiotic metabolite
oxfendazole[no description available]low00benzimidazoles;
carbamate ester;
sulfoxide		antinematodal drug
cimetidine sulfoxide[no description available]low00sulfoxide
allicin[no description available]low00botanical anti-fungal agent;
sulfoxide		antibacterial agent
d-biotin-d-sulfoxide[no description available]low00biotins;
sulfoxide		metabolite
albendazole sulfoxide[no description available]low00sulfoxide
5-hydroxymethylomeprazole[no description available]low00aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		drug metabolite
omeprazole magnesium[no description available]low00benzimidazoles;
sulfoxide
omeprazole sulfone[no description available]low00benzimidazoles;
sulfoxide
sb 203580[no description available]low00imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
alyssin[no description available]low00sulfoxide
ilaprazole[no description available]low00benzimidazoles;
sulfoxide
2-(2-phenoxyethylsulfonyl)-1H-benzimidazole[no description available]low00benzimidazoles;
sulfoxide
4-(4-chlorophenyl)sulfinyl-6-(methoxymethyl)-2-methylpyrimidine[no description available]low00sulfoxide
ro 106-9920[no description available]low00sulfoxide
esomeprazole magnesium[no description available]low00benzimidazoles;
sulfoxide
ajoene[no description available]low00sulfoxide
glucoraphanin[no description available]low00sulfoxide;
thia-alkylglucosinolic acid
6-methylsulfinylhexyl isothiocyanate[no description available]low00sulfoxide
ustiloxin b[no description available]low00aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide		Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin
cenicriviroc[no description available]low00aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide		anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist
8-hydroxy-2-(di-n-propylamino)tetralin[no description available]low00phenols;
tertiary amino compound;
tetralins		serotonergic antagonist
sk&f 77434[no description available]low00benzazepine;
catechols;
tertiary amino compound		dopamine agonist
pd 173074[no description available]low00aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
ethylisopropylamiloride[no description available]low00aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker
methylbufotenin[no description available]low00aromatic ether;
tertiary amino compound;
tryptamine alkaloid		hallucinogen;
plant metabolite
ro 48-8071[no description available]low00aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor
amodiaquine[no description available]low00aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
benefin[no description available]low00C-nitro compound;
organofluorine compound;
substituted aniline;
tertiary amino compound		agrochemical;
herbicide
bromodiphenhydramine[no description available]low00organobromine compound;
tertiary amino compound		antimicrobial agent;
H1-receptor antagonist;
muscarinic antagonist
bupivacaine[no description available]low00aromatic amide;
piperidinecarboxamide;
tertiary amino compound
clofedanol[no description available]low00diarylmethane;
tertiary amino compound		antitussive
cyclopentolate[no description available]low00carboxylic ester;
tertiary alcohol;
tertiary amino compound		diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic
cycrimine[no description available]low00piperidines;
tertiary alcohol;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol[no description available]low00benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound
vanoxerine[no description available]low00ether;
N-alkylpiperazine;
organofluorine compound;
tertiary amino compound		dopamine uptake inhibitor
gbr 12935[no description available]low00ether;
N-alkylpiperazine;
tertiary amino compound		dopamine uptake inhibitor
isothipendyl[no description available]low00aromatic amine;
tertiary amino compound
lofepramine[no description available]low00aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide[no description available]low00benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
monodansylcadaverine[no description available]low00aminonaphthalene;
primary amino compound;
sulfonamide;
tertiary amino compound		EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor;
fluorochrome;
protective agent
mosapramine[no description available]low00azaspiro compound;
dibenzoazepine;
organochlorine compound;
tertiary amino compound
clorgyline[no description available]low00aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
benoxinate[no description available]low00amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound		drug allergen;
local anaesthetic;
topical anaesthetic
piromidic acid[no description available]low00monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound		antibacterial drug;
DNA synthesis inhibitor
pj-34[no description available]low00phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent
psilocin[no description available]low00hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid		drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist
setiptiline[no description available]low00tertiary amino compound;
tetracyclic antidepressant		alpha-adrenergic antagonist;
serotonergic antagonist
tosufloxacin[no description available]low001,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine[no description available]low00N-substituted diamine;
pyridines;
tertiary amino compound		apoptosis inducer;
chelator;
copper chelator
zotepine[no description available]low00dibenzothiepine;
tertiary amino compound		alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
aminopyrine[no description available]low00pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
egtazic acid[no description available]low00diether;
tertiary amino compound;
tetracarboxylic acid		chelator
gramine[no description available]low00aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
thenyldiamine[no description available]low00dialkylarylamine;
tertiary amino compound
4-(dimethylamino)benzaldehyde[no description available]low00benzaldehydes;
substituted aniline;
tertiary amino compound		chromogenic compound
2-diethylaminoethanol[no description available]low00ethanolamines;
primary alcohol;
tertiary amino compound
triethanolamine[no description available]low00amino alcohol;
tertiary amino compound;
triol		buffer;
surfactant
4-nitrosodimethylaniline[no description available]low00dimethylaniline;
nitroso compound;
tertiary amino compound
triethylenediamine[no description available]low00bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound		antioxidant;
catalyst;
reagent
beta-erythroidine[no description available]low00delta-lactone;
indole alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		muscle relaxant;
plant metabolite
psilocybin[no description available]low00organic phosphate;
tertiary amino compound;
tryptamine alkaloid		fungal metabolite;
hallucinogen;
prodrug;
serotonergic agonist
neutral red base[no description available]low00aromatic amine;
phenazines;
primary amino compound;
tertiary amino compound		acid-base indicator;
dye;
two-colour indicator
4-dimethylaminopyridine[no description available]low00dialkylarylamine;
tertiary amino compound
prothipendyl[no description available]low00aromatic amine;
tertiary amino compound
dymanthine[no description available]low00tertiary amino compound
glaucine[no description available]low00aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound		antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite
glyphosphine[no description available]low00glycine derivative;
phosphonic acids;
tertiary amino compound		plant growth retardant
c.i. solvent yellow 56[no description available]low00azobenzenes;
substituted aniline;
tertiary amino compound		dye;
mutagen
4-dimethylaminophenol[no description available]low00dialkylarylamine;
tertiary amino compound
ethyl 4-dimethylaminobenzoate[no description available]low00benzoate ester;
ethyl ester;
tertiary amino compound
mopidamol[no description available]low00dialkylarylamine;
tertiary amino compound
thenalidine[no description available]low00dialkylarylamine;
tertiary amino compound
oryzalin[no description available]low00aromatic amine;
C-nitro compound;
sulfonamide;
tertiary amino compound		agrochemical;
antimitotic;
herbicide
pirimicarb[no description available]low00aminopyrimidine;
carbamate ester;
tertiary amino compound		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
dihydro-beta-erythroidine[no description available]low00delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound		nicotinic antagonist
tridemorph[no description available]low00morpholines;
tertiary amino compound		antifungal agrochemical
amitraz[no description available]low00formamidines;
tertiary amino compound		acaricide;
environmental contaminant;
insecticide;
xenobiotic
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline[no description available]low00isoquinolinol;
tertiary amino compound		human metabolite;
neurotoxin;
rat metabolite
vx[no description available]low00organic thiophosphate;
tertiary amino compound		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin
vindesine[no description available]low00methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent
loceryl[no description available]low00morpholine antifungal drug;
tertiary amino compound		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
carmoxirole[no description available]low00indolecarboxylic acid;
tertiary amino compound;
tetrahydropyridine		antihypertensive agent;
dopamine agonist;
platelet aggregation inhibitor
naxagolide[no description available]low00organic heterotricyclic compound;
phenols;
tertiary amino compound		anticonvulsant;
antiparkinson drug;
dopamine agonist
temafloxacin[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
eliprodil[no description available]low00monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound
carfentanil[no description available]low00methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide		mu-opioid receptor agonist;
opioid analgesic;
tranquilizing drug
acridine orange[no description available]low00aminoacridines;
aromatic amine;
tertiary amino compound		fluorochrome;
histological dye
tenocyclidine[no description available]low00piperidines;
tertiary amino compound;
thiophenes		central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist
nile red[no description available]low00aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound		fluorochrome;
histological dye
cephalotaxine[no description available]low00benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound
d 888[no description available]low00aromatic ether;
nitrile;
tertiary amino compound		anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent
4-(diethylamino)benzaldehyde[no description available]low00aromatic amine;
benzaldehydes;
tertiary amino compound		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
propildazine[no description available]low00dialkylarylamine;
tertiary amino compound
tubulosine[no description available]low00beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound
voacamine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
plant metabolite
dauricine[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite
dimethylformamide-dimethylacetal[no description available]low00acetal;
tertiary amino compound		chromatographic reagent
n-(3-(dimethylamino)propyl)methacrylamide[no description available]low00tertiary amino compound
n,n-diisopropylethylamine[no description available]low00tertiary amino compound
spiroxamine[no description available]low00dioxolane;
spiroketal;
tertiary amino compound		antifungal agrochemical;
environmental contaminant;
sterol biosynthesis inhibitor;
xenobiotic
mor-14[no description available]low00hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound		anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite
triflusulfuron-methyl[no description available]low001,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide
allocryptopine[no description available]low00aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound
sporidesmin[no description available]low00aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator
ecteinascidin 743[no description available]low00acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
aporphine[no description available]low00aporphine alkaloid;
isoquinoline alkaloid fundamental parent;
tertiary amino compound
efonidipine[no description available]low00C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound
n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide[no description available]low00benzenes;
coumarins;
maleimides;
tertiary amino compound		fluorescent dye
lofentanil[no description available]low00methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide		mu-opioid receptor agonist;
opioid analgesic
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine[no description available]low001-benzothiophenes;
piperidines;
tertiary amino compound		dopamine uptake inhibitor
xaliproden[no description available]low00(trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine		serotonergic agonist
ulipristal acetate[no description available]low0020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester;
tertiary amino compound		contraceptive drug;
progesterone receptor modulator;
progestin
sr 57227a[no description available]low00dialkylarylamine;
tertiary amino compound
ivabradine[no description available]low00aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound		cardiotonic drug
2,8-dinitroimipramine[no description available]low00C-nitro compound;
dibenzoazepine;
tertiary amino compound
sk&f 83959[no description available]low00benzazepine;
catechols;
organochlorine compound;
tertiary amino compound		dopamine agonist
corytuberine[no description available]low00aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound		plant metabolite
5,6-didehydrosparteine[no description available]low00organic heterotetracyclic compound;
quinolizidine alkaloid;
tertiary amino compound		human xenobiotic metabolite
stephenanthrine[no description available]low00cyclic acetal;
organic heterotetracyclic compound;
tertiary amino compound
nbi 27914[no description available]low00dialkylarylamine;
tertiary amino compound
top 53[no description available]low00furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
antalarmin[no description available]low00pyrrolopyrimidine;
tertiary amino compound		corticotropin-releasing factor receptor antagonist
alpha-putrescinylthymine[no description available]low00N-substituted putrescine;
pyrimidine nucleobase;
pyrimidone;
secondary amino compound;
tertiary amino compound
2-(4-morpholinoanilino)-6-cyclohexylaminopurine[no description available]low00morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
l 778,123[no description available]low00imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
azaleucine[no description available]low00alanine derivative;
leucine derivative;
non-proteinogenic alpha-amino acid;
tertiary amino compound
nsc 23766[no description available]low00aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound		antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
conessine[no description available]low00steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite
rocuronium[no description available]low003alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent
deltaline[no description available]low00acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound
oxyacanthine[no description available]low00bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound
ergonovine[no description available]low00ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		diagnostic agent;
fungal metabolite;
oxytocic;
toxin
colforsin daropate[no description available]low00acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent
afimoxifene[no description available]low00phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
efinaconazole[no description available]low00conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
n-nonyl-1-deoxynojirimycin[no description available]low00hydroxypiperidine;
tertiary amino compound		antiviral agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.2.1.45 (glucosylceramidase) inhibitor
3-(4-chlorophenyl)-6-(1-pyrrolidinyl)-1,2,4,5-tetrazine[no description available]low00dialkylarylamine;
tertiary amino compound
n-methylproline[no description available]low00L-alpha-amino acid zwitterion;
L-proline derivative;
tertiary amino compound		human metabolite;
plant metabolite
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine[no description available]low00dialkylarylamine;
tertiary amino compound
N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine[no description available]low00dialkylarylamine;
tertiary amino compound
7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine[no description available]low00aromatic amine;
tertiary amino compound
tiamulin[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid		antibacterial drug
2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile[no description available]low00aromatic amine;
tertiary amino compound
N-[4-(diethylamino)phenyl]-N'-phenylurea[no description available]low00dialkylarylamine;
tertiary amino compound
4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone[no description available]low00dialkylarylamine;
tertiary amino compound
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine[no description available]low00dialkylarylamine;
tertiary amino compound
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine[no description available]low00piperidines;
quinazolines;
tertiary amino compound;
toluenes
4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine[no description available]low00aromatic amine;
tertiary amino compound
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol[no description available]low00aromatic amine;
tertiary amino compound
4-[[4-bromo-5-(4-morpholinyl)-2-furanyl]methylideneamino]phenol[no description available]low00dialkylarylamine;
tertiary amino compound
4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone[no description available]low00dialkylarylamine;
tertiary amino compound
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine[no description available]low00pyridines;
quinazolines;
tertiary amino compound
2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile[no description available]low00dialkylarylamine;
tertiary amino compound
2-[[4-(4-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00dialkylarylamine;
tertiary amino compound
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide[no description available]low00morpholines;
pyrimidone;
secondary carboxamide;
tertiary amino compound
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide[no description available]low00aromatic amine;
tertiary amino compound
3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide[no description available]low00dialkylarylamine;
tertiary amino compound
wiskostatin[no description available]low00carbazoles;
organobromine compound;
secondary alcohol;
tertiary amino compound
2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid[no description available]low00dialkylarylamine;
tertiary amino compound
3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine[no description available]low00aromatic amine;
tertiary amino compound
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine[no description available]low00dialkylarylamine;
tertiary amino compound
3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylaniline[no description available]low00dialkylarylamine;
tertiary amino compound
stenusin[no description available]low00piperidine alkaloid;
tertiary amino compound
tandutinib[no description available]low00aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
noribogaine[no description available]low00monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
secondary amino compound;
tertiary amino compound		kappa-opioid receptor agonist;
NMDA receptor antagonist;
psychotropic drug;
serotonin uptake inhibitor
2-[[4-(3-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00dialkylarylamine;
tertiary amino compound
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone[no description available]low00aromatic amine;
tertiary amino compound
N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide[no description available]low00dialkylarylamine;
tertiary amino compound
5-(1-azepanyl)-1,3,4-thiadiazol-2-amine[no description available]low00dialkylarylamine;
tertiary amino compound
3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione[no description available]low00dialkylarylamine;
tertiary amino compound
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine[no description available]low00aromatic amine;
tertiary amino compound
clopidogrel carboxylic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine		drug metabolite;
marine xenobiotic metabolite
LY-310762[no description available]low00aromatic ketone;
monofluorobenzenes;
oxindoles;
piperidines;
tertiary amino compound		receptor modulator;
serotonergic antagonist
ly 367265[no description available]low00dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline		antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine[no description available]low00aromatic amine;
piperidines;
pyridines;
quinazolines;
secondary amino compound;
tertiary amino compound
3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide[no description available]low00dialkylarylamine;
tertiary amino compound
cassaine[no description available]low00enoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid		antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison
josamycin[no description available]low00acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite
acetylspiramycin[no description available]low00acetate ester;
aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
n,n-dimethylsphingenine[no description available]low00aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite
alvocidib[no description available]low00dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound		Hsp90 inhibitor
kn 93[no description available]low00monochlorobenzenes;
monomethoxybenzene;
primary alcohol;
sulfonamide;
tertiary amino compound		EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor;
geroprotector
bosutinib[no description available]low00aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
su 11652[no description available]low00olefinic compound;
organochlorine compound;
oxindoles;
pyrrolecarboxamide;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor
palbociclib[no description available]low00aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
bedaquiline[no description available]low00aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor
catharanthine[no description available]low00alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
oripavine[no description available]low00ether;
morphinane alkaloid;
organic heteropentacyclic compound;
organic hydroxy compound;
tertiary amino compound		bacterial xenobiotic metabolite;
opioid analgesic
cinanserin[no description available]low00aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound		anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
DPI2[no description available]low00benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone		ferroptosis inducer
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin[no description available]low00organoiodine compound;
phenols;
tertiary amino compound;
tetralins		dopamine agonist
sdz eaa 494[no description available]low00monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist
demycarosylturimycin h[no description available]low00aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
ro 25-6981[no description available]low00benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist
yunaconitine[no description available]low00acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic
eaa-090[no description available]low00dialkylarylamine;
tertiary amino compound
prasugrel[no description available]low00acetate ester;
cyclopropanes;
ketone;
monofluorobenzenes;
tertiary amino compound;
thienopyridine
bay 58-2667[no description available]low00aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
muromonab-cd3[no description available]low00alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite
px-866[no description available]low00acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
pi103[no description available]low00aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
selexipag[no description available]low00aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound		orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent
zm 447439[no description available]low00aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
tofacitinib[no description available]low00N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
mre 269[no description available]low00aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound		drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride[no description available]low00aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound		antipsychotic agent;
receptor modulator
NNC 55-0396 (free base)[no description available]low00benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
pateamine a[no description available]low001,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound		antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite
pimavanserin[no description available]low00aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas		5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist
bibw 2992[no description available]low00aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
edoxaban[no description available]low00chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor
akuammicine[no description available]low00methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite
crenolanib[no description available]low00aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
PDGF receptor tyrosine kinase inhibitor III[no description available]low00aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
abt-737[no description available]low00aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
azd 8931[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
azd 1152[no description available]low00anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug
pf 00299804[no description available]low00enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
sarpagine[no description available]low00indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one[no description available]low00alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound		anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite
azd 1152-hqpa[no description available]low00anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor
ku 0063794[no description available]low00benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
mTOR inhibitor
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one[no description available]low00aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound
flupyradifurone[no description available]low00butenolide;
enamine;
monochloropyridine;
organofluorine insecticide;
tertiary amino compound		insecticide;
nicotinic acetylcholine receptor agonist
alcaftadine[no description available]low00aldehyde;
imidazobenzazepine;
piperidines;
tertiary amino compound		anti-allergic agent;
H1-receptor antagonist
benzoylaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite
deoxyaconitine[no description available]low00acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound		plant metabolite
2-[[4-(4-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00dialkylarylamine;
tertiary amino compound
2-[[4-(2-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00dialkylarylamine;
tertiary amino compound
2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol[no description available]low00dialkylarylamine;
tertiary amino compound
vindolinine[no description available]low00methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite
tenovin-6[no description available]low00monocarboxylic acid amide;
tertiary amino compound;
thioureas		antineoplastic agent;
p53 activator;
Sir2 inhibitor
lde225[no description available]low00aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
benzoylmesaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		analgesic;
antiinfective agent;
plant metabolite
sch772984[no description available]low00biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
navitoclax[no description available]low00aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide[no description available]low00aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol[no description available]low00benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide[no description available]low00dialkylarylamine;
tertiary amino compound
(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one[no description available]low00dialkylarylamine;
tertiary amino compound
N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide[no description available]low00dialkylarylamine;
tertiary amino compound
(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one[no description available]low00dialkylarylamine;
tertiary amino compound
3-cyclohexyl-1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea[no description available]low00dialkylarylamine;
tertiary amino compound
1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea[no description available]low00dialkylarylamine;
tertiary amino compound
cblc137[no description available]low00aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator
1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea[no description available]low00dialkylarylamine;
tertiary amino compound
lrrk2-in1[no description available]low00aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
tubastatin a[no description available]low00hydroxamic acid;
pyridoindole;
tertiary amino compound		EC 3.5.1.98 (histone deacetylase) inhibitor
pracinostat[no description available]low00benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
delgocitinib[no description available]low00azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide		anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pf 956980[no description available]low00N-acylpiperidine;
N-acylpyrrolidine;
pyrrolopyrimidine;
tertiary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
AZD3463[no description available]low00aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
gsk2879552[no description available]low00benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
osimertinib[no description available]low00acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
as 1842856[no description available]low00organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent
MLI-2[no description available]low00aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ap20187[no description available]low00aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound		ligand
BDA-366[no description available]low00anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer
5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol[no description available]low00dialkylarylamine;
tertiary amino compound
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile[no description available]low00hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor
sb-590885[no description available]low00aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound
sotorasib[no description available]low00acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent
ConditionIndicatedRelationship StrengthStudiesTrials
A-V Dissociation0low20
Abnormal Movements0low10
Absence Seizure0low10
Absence Seizures0low10
Acathisia, Drug-Induced0low10
Acquired Immune Deficiency Syndrome0low10
Acquired Immuno-Deficiency Syndrome0low10
Acquired Immunodeficiency Syndrome0low10
Action Tremor0low10
Acute Disease0medium44
Acute Liver Injury, Drug-Induced0low20
Adjustment Disorder0low10
Adjustment Disorders0low10
Adverse Drug Event0low10
Adverse Drug Reaction0low10
Affective Psychosis, Bipolar0low30
Aggression0medium11
Aging0medium11
Agitation, Psychomotor0medium11
AIDS0low10
Akathisia0medium11
Akathisia, Drug-Induced0low10
Akathisia, Tardive0low10
Akinetic-Rigid Variant of Huntington Disease0low20
Alcohol Abuse0medium53
Alcohol Addiction0medium53
Alcohol Dependence0medium53
Alcohol Use Disorder0medium53
Alcoholic Intoxication, Chronic0medium53
Alcoholism0medium53
Amentia0medium21
Anankastic Personality0medium11
Anemia, Fanconi0low10
Anniversary Reaction0low10
Anxiety0medium22
Anxiety Disorders0medium11
Anxiety Neuroses0medium11
Anxiety States, Neurotic0medium11
Aprosodia0low10
Aprosodic Speech0low10
Arrhythmia0low70
Arrhythmias, Cardiac0low70
Arrythmia0low70
As If Personality0medium11
Asterixis0low10
Asystole0low20
Athetoid Movements0low10
Athetosis0low10
Atonic Absence Seizure0low10
Atonic Absence Seizures0low10
Atonic Seizure0low10
Atonic Seizures0low10
Atrioventricular Dissociation0low20
Auriculo-Ventricular Dissociation0low20
Autotomy Human0low10
Avoidant Personality Disorder0medium11
Ballismus0low10
Basal Ganglia Diseases0low20
Basal Ganglia Disorders0low20
Behavior Disorders0medium61
Bipolar Disorder0low30
Bipolar Mood Disorder0low30
Blood Pressure, Low0low10
Body Weight0medium11
Borderline Personality Disorder0low10
Cancer of Rectum0low10
Cancer of the Rectum0low10
Cardiac Arrest0low20
Cardiac Arrhythmia0low70
Cardiac Arrhythmias0low70
Cardiac Complex, Premature0low10
Cardiac Complexes, Premature0low10
Cardiac Dysrhythmia0low70
Cardiac Failure0low10
Cardiopulmonary Arrest0low20
Cardiovascular Diseases0medium21
Catatonic Rigidity0low10
Chemical and Drug Induced Liver Injury0low20
Chemically-Induced Liver Toxicity0low20
Cholera Infantum0medium11
Chorea, Chronic Progressive Hereditary (Huntington)0low20
Chronic Disease0medium32
Chronic Illness0medium32
Chronic Insomnia0medium11
Chronic Motor and Vocal Tic Disorder0low10
Chronic Progressive Hereditary Chorea (Huntington)0low20
Chronically Ill0medium32
Clerambault Syndrome0low30
Clonic Seizure0low10
Clonic Seizures0low10
Cluttering0low10
Coarse Tremor0low10
Cogwheel Rigidity0low10
Combined Multiple Motor and Vocal Tic Disorder0low10
Combined Vocal and Multiple Motor Tic Disorder0low10
Complex Partial Seizure0low10
Complex Partial Seizures0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Congestive Heart Failure0low10
Continuous Tremor0low10
Convulsion0low10
Convulsion, Non-Epileptic0low10
Convulsions0low10
Convulsions, Grand Mal0low10
Convulsive Seizure0low10
Convulsive Seizures0low10
Cryptogenic Tonic-Clonic Epilepsy0low10
Darkness Tremor0low10
Death, Sudden0low10
Deficiency, Mental0medium81
Delirium, Dementia, Amnestic, Cognitive Disorders0low30
Delusional Disorder0low20
Dementia0medium21
Dementia Praecox0medium259
Depression0medium52
Depression, Bipolar0low30
Depression, Endogenous0medium11
Depression, Neurotic0medium11
Depression, Reactive0low10
Depression, Unipolar0medium11
Depressive Disorder0medium11
Depressive Syndrome0medium11
Diagnosis, Psychiatric0medium61
DIMS (Disorders of Initiating and Maintaining Sleep)0medium11
Disability, Intellectual0medium81
Disease Models, Animal0low10
Disorder, Borderline Personality0low10
Disorders of Initiating and Maintaining Sleep0medium11
Drug Side Effects0low10
Drug Toxicity0low10
Drug Withdrawal Symptoms0medium42
Drug-Induced Acute Liver Injury0low20
Drug-Induced Akathisia0low10
Drug-Induced Liver Disease0low20
Drug-Induced Liver Injury0low20
Drug-Related Side Effects and Adverse Reactions0low10
Dysglossia0low10
Dyskinesia Syndromes0medium41
Dyskinesia, Drug-Induced0low20
Dyskinesia, Medication-Induced0low20
Dyskinesias0low10
Dyslalia0low10
Early Awakening0medium11
Ectopic Heartbeats0low10
Electrocardiogram QT Prolonged0medium41
Epilepsy, Grand Mal0low10
Epilepsy, Major0low10
Epilepsy, Tonic-Clonic0low10
Epilepsy, Tonic-Clonic, Cryptogenic0low10
Epilepsy, Tonic-Clonic, Familial0low10
Epilepsy, Tonic-Clonic, Symptomatic0low10
Epileptic Seizure0low10
Epileptic Seizures0low10
Etat Marbre0medium41
Ethanol Abuse0medium53
Excitement, Psychomotor0medium11
Extensor Rigidity0low10
Extrapyramidal Disorders0low20
Extrapyramidal Rigidity0low10
Extrasystole0low10
Extrasystoles0low10
Familial Dementia0medium21
Familial Tonic-Clonic Epilepsy0low10
Fanconi Anemia0low10
Fanconi Hypoplastic Anemia0low10
Fanconi Pancytopenia0low10
Fanconi Panmyelopathy0low10
Fanconi's Anemia0low10
Fever, Zika0low10
Fine Tremor0low10
Functional Gastrointestinal Disorders0medium11
Gastroduodenal Ulcer0low10
Gastrointestinal Diseases0medium11
Gastrointestinal Disorders0medium11
Gastrointestinal Disorders, Functional0medium11
Gegenhalten0low10
Generalized Absence Seizure0low10
Generalized Absence Seizures0low10
Generalized Tonic-Clonic Seizures0low10
Gilles de la Tourette Disorder0low10
Gilles de la Tourette Syndrome0low10
Gilles de la Tourette's Disease0low10
Gilles De La Tourette's Syndrome0low10
Grand Mal Seizure Disorder0low10
Hallucination of Body Sensation0medium11
Hallucinations0medium11
Hallucinations, Auditory0medium11
Hallucinations, Dissociative0medium11
Hallucinations, Elementary0medium11
Hallucinations, Formed, of People0medium11
Hallucinations, Gustatory0medium11
Hallucinations, Hypnagogic0medium11
Hallucinations, Hypnapompic0medium11
Hallucinations, Internal Body Sensation0medium11
Hallucinations, Kinesthetic0medium11
Hallucinations, Mood Congruent0medium11
Hallucinations, Mood Incongruent0medium11
Hallucinations, Olfactory0medium11
Hallucinations, Organic0medium11
Hallucinations, Reflex0medium11
Hallucinations, Sensory0medium11
Hallucinations, Somatic0medium11
Hallucinations, Tactile0medium11
Hallucinations, Verbal Auditory0medium11
Hallucinations, Visual0medium11
Hallucinations, Visual, Formed0medium11
Hallucinations, Visual, Unformed0medium11
Hammond Disease0low10
Hammond's Disease0low10
Heart Arrest0low20
Heart Block0low20
Heart Decompensation0low10
Heart Failure0low10
Heart Failure, Congestive0low10
Heart Failure, Left-Sided0low10
Heart Failure, Right-Sided0low10
Hemiballism0low10
Hemiballismus0low10
Hepatitis, Drug-Induced0low20
Hepatitis, Toxic0low20
Huntington Chorea0low20
Huntington Chronic Progressive Hereditary Chorea0low20
Huntington Disease0low20
Huntington Disease, Akinetic-Rigid Variant0low20
Huntington Disease, Juvenile0low20
Huntington Disease, Juvenile-Onset0low20
Huntington Disease, Late Onset0low20
Huntington's Chorea0low20
Huntington's Disease0low20
Hypotension0low10
Hypotension, Vascular0low10
Idiocy0medium81
Immunodeficiency Syndrome, Acquired0low10
Immunologic Deficiency Syndrome, Acquired0low10
Impulse-Ridden Personality0medium11
Inadequate Personality0medium11
Insomnia0medium11
Insomnia Disorder0medium11
Intellectual Development Disorder0medium81
Intellectual Disability0medium81
Intention Tremor0low10
Intermittent Tremor0low10
Involuntary Movements0low10
Involuntary Quiver0low10
Jacksonian Seizure0low10
Juvenile Huntington Disease0low20
Juvenile-Onset Huntington Disease0low20
Kandinsky Syndrome0low30
Kussmaul Aphasia0medium11
Kussmaul's Aphasia0medium11
Late-Onset Huntington Disease0low20
Left-Sided Heart Failure0low10
Lenticulostriate Disorders0low20
Lingual-Facial-Buccal Dyskinesia0low10
Linguofacial Dyskinesia0low10
Lipidoses0low10
Lipidosis0low10
Lipoidosis0low10
Liver Injury, Drug-Induced0low20
Liver Injury, Drug-Induced, Acute0low20
Local Neoplasm Recurrence0low10
Local Neoplasm Recurrences0low10
Locoregional Neoplasm Recurrence0low10
Long QT Syndrome0medium41
Low Blood Pressure0low10
Major Motor Seizure Disorder0low10
Manic Depression0low30
Manic Disorder0low30
Manic-Depressive Psychosis0low30
Marginal Ulcer0low10
Massive Tremor0low10
Medication-Induced Dyskinesia0low20
Melancholia0medium11
Mental Deficiency0medium81
Mental Disorders0medium61
Mental Disorders, Organic0low30
Mental Disorders, Severe0medium61
Mental Illness0medium61
Mental Retardation0medium81
Mental Retardation, Psychosocial0medium81
Movement Disorder Syndromes0medium41
Movement Disorders0medium41
Multiple Motor and Vocal Tic Disorder, Combined0low10
Muscle Rigidity0low10
Muscle Spasm0low10
Muscular Spasm0low10
Mutism0medium11
Mutism, Conversion0medium11
Mutism, Elective0medium11
Mutism, Organic0medium11
Mutism, Selective0medium11
Mutism, Voluntary0medium11
Myocardial Failure0low10
Myoclonic Seizure0low10
Myoclonic Seizures0low10
Narcissistic Personality Disorder0medium11
Neoplasm Recurrence, Local0low10
Neoplasm Recurrence, Locoregional0low10
Neoplasm Recurrences, Local0low10
Neoplasms, Rectal0low10
Neurocognitive Disorders0low30
Neuroses0medium32
Neuroses, Anxiety0medium11
Neurosis, Depressive0medium11
Neurosis, Obsessive-Compulsive0medium11
Neurotic Disorders0medium32
Non-Epileptic Seizure0low10
Non-Epileptic Seizures0low10
Nonepileptic Seizure0low10
Nonepileptic Seizures0low10
Nonorganic Insomnia0medium11
Nonpsychotic Organic Brain Syndrome0low30
Nuchal Rigidity0low10
Obsessive-Compulsive Disorder0medium11
Oral Dyskinesia0low10
Oral-Facial Dyskinesia0low10
Organic Brain Syndrome, Nonpsychotic0low30
Organic Mental Disorders0low30
Organic Mental Disorders, Psychotic0low30
Orofacial Dyskinesia0low10
Paranoid Schizophrenia0low20
Partial Seizure0low10
Partial Seizures0low10
Passive Tremor0low10
Peptic Ulcer0low10
Persistent Tremor0low10
Personality Disorder, Borderline0low10
Personality Disorders0medium11
Petit Mal Convulsion0low10
Pill Rolling Tremor0low10
Premature Beats0low10
Premature Cardiac Complex0low10
Premature Cardiac Complexes0low10
Priapism0low30
Primary Insomnia0medium11
Progressive Chorea, Chronic Hereditary (Huntington)0low20
Progressive Chorea, Hereditary, Chronic (Huntington)0low20
Pseudoakathisia0low10
Psychiatric Diagnosis0medium61
Psychiatric Diseases0medium61
Psychiatric Disorders0medium61
Psychiatric Illness0medium61
Psychomotor Agitation0medium11
Psychomotor Hyperactivity0medium11
Psychomotor Restlessness0medium11
Psychoneuroses0medium32
Psychophysiological Insomnia0medium11
Psychoses0medium61
Psychoses, Alcoholic0medium11
Psychoses, Manic-Depressive0low30
Psychoses, Traumatic0low30
Psychosis0medium61
Psychosis, Brief Reactive0medium61
Psychosis, Manic-Depressive0low30
Rachitis0low10
Reactive Disorders0low10
Rebound Insomnia0medium11
Rectal Cancer0low10
Rectal Neoplasms0low10
Rectal Tumors0low10
Rectum Cancer0low10
Rectum Neoplasms0low10
Recurrence, Local Neoplasm0low10
Recurrence, Locoregional Neoplasm0low10
Recurrences, Local Neoplasm0low10
Remission, Spontaneous0medium11
Rest Tremor0low10
Resting Tremor0low10
Restlessness0medium11
Retardation, Mental0medium81
Rhinolalia0low10
Rickets0low10
Right-Sided Heart Failure0low10
Rigidity, Muscular0low10
Saturnine Tremor0low10
Schizoaffective Disorder0medium61
Schizophrenia0medium259
Schizophrenia, Paranoid0low20
Schizophrenic Disorders0medium259
Schizophreniform Disorders0medium61
Secondary Insomnia0medium11
Seizure0low10
Seizure Disorder, Grand Mal0low10
Seizure Disorder, Major Motor0low10
Seizure Disorder, Tonic Clonic0low10
Seizures0low10
Seizures, Auditory0low10
Seizures, Clonic0low10
Seizures, Convulsive0low10
Seizures, Epileptic0low10
Seizures, Focal0low10
Seizures, Generalized0low10
Seizures, Gustatory0low10
Seizures, Motor0low10
Seizures, Olfactory0low10
Seizures, Sensory0low10
Seizures, Somatosensory0low10
Seizures, Tonic0low10
Seizures, Tonic-Clonic0low10
Seizures, Vertiginous0low10
Seizures, Vestibular0low10
Seizures, Visual0low10
Selective Mutism0medium11
Self Mutilating Behavior0low10
Self Mutilation0low10
Senile Paranoid Dementia0medium21
Senile Tremor0low10
Sex Disorders0low10
Sexual Disorders, Physiological0low10
Sexual Dysfunction, Physiological0low10
Sexual Dysfunctions, Physiological0low10
Side Effects of Drugs0low10
Single Seizure0low10
Sleep Initiation and Maintenance Disorders0medium11
Sleep Initiation Dysfunction0medium11
Sleeplessness0medium11
Spasm0low10
Spasm, Ciliary Body0low10
Spasm, Generalized0low10
Speech Disorders0low10
Static Tremor0low10
Status Marmoratus0medium41
Substance Withdrawal Syndrome0medium42
Sudden Death0low10
Symptomatic Tonic-Clonic Epilepsy0low10
Tardive Oral Dyskinesia0low10
Tic Disorder, Combined Vocal and Multiple Motor0low10
Tonic Clonic Convulsions0low10
Tonic Clonic Seizure0low10
Tonic Seizure0low10
Tonic Seizures0low10
Tonic-Clonic Convulsion Disorder0low10
Tonic-Clonic Convulsion Syndrome0low10
Tonic-Clonic Seizure0low10
Tonic-Clonic Seizure Disorder0low10
Tonic-Clonic Seizure Syndrome0low10
Tonic-Clonic Seizures0low10
Tourette Disease0low10
Tourette Disorder0low10
Tourette Syndrome0low10
Tourette's Disease0low10
Tourette's Disorder0low10
Tourette's Syndrome0low10
Toxic Hepatitis0low20
Toxicity, Drug0low10
Transient Insomnia0medium11
Transient Situational Disturbance0low10
Tremor0low10
Tremor, Limb0low10
Tremor, Muscle0low10
Tremor, Neonatal0low10
Tremor, Nerve0low10
Tremor, Perioral0low10
Tremor, Semirhythmic0low10
Unipolar Depression0medium11
Vascular Hypotension0low10
Verbal Fluency Disorders0low10
Withdrawal Symptoms0medium42
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (2)

ArticleYear
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
PLoS computational biology, Volume: 7, Issue: 12		2011
Successful suicides with thioridazine and mesoridazine: a result of probable cardiotoxicity.
Archives of general psychiatry, Volume: 34, Issue: 8		1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (5)

ArticleYear
Determination of mesoridazine by liquid chromatography-tandem mass spectrometry and its application to pharmacokinetic study in rats.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, May-01, Volume: 958		2014
Pharmacokinetic interaction of fluvoxamine and thioridazine in schizophrenic patients.
Journal of clinical psychopharmacology, Volume: 19, Issue: 6		1999
Mesoridazine -- a pharmacodynamic and pharmacokinetic profile.
The Journal of clinical psychiatry, Volume: 42, Issue: 12		1981
The pharmacokinetics of some psychoactive drugs and relationships to clinical response.
Methods and findings in experimental and clinical pharmacology, Volume: 7, Issue: 5		1985
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (2)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46		2019
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (10)

ArticleYear
Dyskinesia analysis. Histogram analysis of cineseismograms of human dyskinesia.
Diseases of the nervous system, Volume: 35, Issue: 4		1974
Pharmacokinetic interaction of fluvoxamine and thioridazine in schizophrenic patients.
Journal of clinical psychopharmacology, Volume: 19, Issue: 6		1999
Haloperidol, thioridazine and placebo in mentally subnormal patients-serum levels and clinical effects.
Acta psychiatrica Scandinavica, Volume: 63, Issue: 3		1981
Simultaneous assay of thioridazine and its major metabolites in plasma at single dosage levels with a novel report of two ring sulfoxides of thioridazine.
Journal of pharmaceutical sciences, Volume: 72, Issue: 6		1983
Plasma propranolol levels and their effect on plasma thioridazine and haloperidol concentrations.
Journal of clinical psychopharmacology, Volume: 7, Issue: 3		1987
Mesoridazine and thioridazine: clinical effects and blood levels in refractory schizophrenics.
The Journal of clinical psychiatry, Volume: 47, Issue: 7		1986
Single dose kinetics of thioridazine and its two psychoactive metabolites in healthy humans: a dose proportionality study.
Journal of pharmaceutical sciences, Volume: 78, Issue: 10		1989
An open study of mesoridazine (Serentil) in chronic schizophrenics.
Diseases of the nervous system, Volume: 36, Issue: 9		1975
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]