Page last updated: 2024-08-04 03:04:57

olanzapine

Description

Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy. [MeSH]

olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4. [CHeBI]

Cross-References

ID SourceID
PubMed CID135398745
CHEMBL ID715
SCHEMBL ID117695
SCHEMBL ID28763
CHEBI ID7735
CHEBI ID94534
MeSH IDM0204623

Synonyms (172)

Synonym
AC-665
BIDD:PXR0138
BIDD:GT0332
AKOS005566122
HMS3393H05
AB00639907-06
AB00639907-07
us8802672, olanzapine
bdbm35254
gtpl47
lanzac
zyprexa velotab
alks-7921
c17h20n4s
10h-thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-
zyprexa intramuscular
zyprexa zydis
ly-170053
zalasta
midax
ly 170053
olansek
2-methyl-4-(4-methyl-1-piperazinyl)-10h-thieno(2,3-b)(1,5)benzodiazepine
olanzapina
olanzapinum
CHEBI:7735 ,
2-methyl-4-(4-methylpiperazin-1-yl)-10h-thieno[2,3-b][1,5]benzodiazepine
zyprexa
2-methyl-4-(4-methyl-1-piperazinyl)-10h-thieno[2,3-b][1,5]benzodiazepine
MLS001424057
C07322
132539-06-1
olanzapine
MLS000759457
smr000466345
DB00334
olanzapin
NCGC00096077-03
NCGC00096077-04
olanzapine (jan/usp/inn)
D00454
NCGC00096077-01
SPECTRUM1505024
zolafren
MLS001195646
MLS001165781
HMS2089M04
HMS2093I04
HMS2051H05
olanzapine mylan
olanzapine teva
olazax disperzi
olanzapine cipla
olanzapine glenmark
olanzapine apotex
olazax
CHEMBL715 ,
ly170053
AKOS000282888
L005958
L000455
2-methyl-4-(4-methylpiperazin-1-yl)-5h-thieno[3,2-c][1,5]benzodiazepine
2-methyl-4-(4-methyl-1-piperazinyl)-5h-thieno[3,2-c][1,5]benzodiazepine
A806453
olanzapine teva
hsdb 8155
zypadhera
olanzapine neopharma
olanzapine [usan:usp:inn:ban]
unii-n7u69t4szr
n7u69t4szr ,
cas-132539-06-1
tox21_111556
dtxcid503388
dtxsid9023388 ,
O0393
nsc_4585
bdbm82479
cas_132539-06-1
HMS2233F24
CCG-100922
BCP9001021
olzapin
5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,11,13-hexaene
oferta
HY-14541
CS-1114
FT-0673219
10h-thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-
NCGC00096077-05
olanzapine [usp monograph]
olanzapine [ep monograph]
olanzapine [jan]
olanzapine glenmark europe
olanzapine component of symbyax
olanzapine [inn]
olanzapine [usp-rs]
symbyax component olanzapine
lybalvi component olanzapine
olanzapine [orange book]
olanzapine [who-dd]
olanzapine component of lybalvi
olanzapine [ema epar]
olanzapine [mart.]
olanzapine [usan]
olanzapine [vandf]
olanzapine [mi]
S2493
2-methyl-4-(4-methylpiperazin-1-yl)-10h-benzo[b]thieno[2,3-e][1,4]diazepine
HMS3374L02
2-methyl-4-(4-methyl-1-piperazinyl)-10h-thieno-[2,3-b][1,5]benzodiazepine
SCHEMBL117695
NC00172
SCHEMBL28763
NCGC00096077-06
tox21_111556_1
KS-1090 ,
2-methyl-10-(4-methyl-piperazin-1-yl)-4h-3-thia-4,9-diaza-benzo[f]azulene
2-methyl-4-(4-methyl-1-piperazinyl)-10h-thieno[2,3-b][1,5]benzodiazepine #
AB00639907_09
AB00639907_08
mfcd00866702
SR-01000759343-4
SR-01000759343-6
sr-01000759343
CHEBI:94534
olanzapine, united states pharmacopeia (usp) reference standard
HMS3657I15
olanzapine, pharmaceutical secondary standard; certified reference material
olanzapine for system suitability, european pharmacopoeia (ep) reference standard
olanzapine, >=98% (hplc)
olanzapine, european pharmacopoeia (ep) reference standard
olanzapine 1.0 mg/ml in acetonitrile
olanzapine; 2-methyl-4-(4-methyl-1-piperazinyl)-10h-thieno[2,3-b][1,5]benzodiazepine; ly 170053; lanzac; zyprexa
J-006186
SBI-0206786.P001
HMS3714J03
NCGC00389791-02
olanzapine-d8, 100 mug/ml in acetonitrile, ampule of 1 ml, certified reference material
SW220248-1
BCP04917
HB1786
2-methyl-4-(4-methyl-1-piperazinyl) -10h-thieno[2,3-b][1,5]benzodiazepine
Z1521553472
olanzapine (zyprexa)
(e)-2-methyl-4-(4-methylpiperazin-1-yl)-10h-benzo[b]thieno[2,3-e][1,4]diazepine
Q201872
EN300-119499
5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0,3,7]tetradeca-1(10),3(7),5,8,11,13-hexaene
NCGC00096077-18
HMS3884J21
AMY7709
HMS3743A09
2-methyl-4-(4-methylpiperazin-1-yl)-10h- thieno[2,3-b][1,5]benzodiazepin
olanzapine (ly-170053)
nsc-754829
nsc-801187
nsc801187
nsc754829
BO164166
olanzapine- bio-x
ps15 - olanzapine
olanzapine (usp-rs)
olanzapine (mart.)
n05ah03
zyprexazydis
olanzapine (ep monograph)
olanzapine (usp monograph)
olanzapine (usan:usp:inn:ban)
2-methyl-4-(4-methyl-1-piperazinyl)-10h-thieno(2,3- b)(1,5)benzodiazepine
zyprexaintramuscular
olanzapine, 1mg/ml in acetonitrile

Roles (7)

RoleDescription
histamine antagonistHistamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
muscarinic antagonistA drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
serotonergic antagonistDrugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
dopaminergic antagonistA drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
antiemeticA drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.
second generation antipsychoticAntipsychotic drugs which can have different modes of action but which tend to be less likely than first generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements.
serotonin uptake inhibitorA compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.

Drug Classes (3)

ClassDescription
benzodiazepineA group of heterocyclic compounds with a core structure containing a benzene ring fused to a diazepine ring.
N-methylpiperazine
N-arylpiperazine

Protein Targets (81)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
GLS proteinHomo sapiens (human)Potency8.9125AID624170
TDP1 proteinHomo sapiens (human)Potency28.2320AID686978; AID686979
GLI family zinc finger 3Homo sapiens (human)Potency4.4662AID1259392
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency8.0608AID1224838; AID1224893
peroxisome proliferator-activated receptor deltaHomo sapiens (human)Potency13.3322AID743212
aryl hydrocarbon receptorHomo sapiens (human)Potency33.4915AID743085; AID743122
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency25.8222AID1159528
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency5.6234AID2100
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency89.1251AID504847
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency18.8336AID743065; AID743067
mitogen-activated protein kinase 1Homo sapiens (human)Potency3.2048AID1454; AID995
ubiquitin carboxyl-terminal hydrolase 2 isoform aHomo sapiens (human)Potency19.9526AID927
gemininHomo sapiens (human)Potency0.2529AID624296; AID624297
lamin isoform A-delta10Homo sapiens (human)Potency25.1189AID1487
Cellular tumor antigen p53Homo sapiens (human)Potency5.9557AID651631
Spike glycoproteinSevere acute respiratory syndrome-related coronavirusPotency17.7828AID1479145
Disintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)Potency19.9526AID927
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency8.9125AID1457

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
5-hydroxytryptamine receptor 3EHomo sapiens (human)Ki0.1995AID298488
ATP-binding cassette sub-family C member 3Homo sapiens (human)IC50133.0000AID1473740
Multidrug resistance-associated protein 4Homo sapiens (human)IC50133.0000AID1473741
5-hydroxytryptamine receptor 4Cavia porcellus (domestic guinea pig)IC500.0970AID625218; AID63866
5-hydroxytryptamine receptor 4Cavia porcellus (domestic guinea pig)Ki0.0110AID625218
5-hydroxytryptamine receptor 3BHomo sapiens (human)Ki0.1995AID298488
Bile salt export pumpHomo sapiens (human)IC5093.7850AID1449628; AID1473738
Muscarinic acetylcholine receptor M2Homo sapiens (human)Ki0.0260AID141100
Muscarinic acetylcholine receptor M4Homo sapiens (human)IC500.1550AID625154
Muscarinic acetylcholine receptor M4Homo sapiens (human)Ki0.0202AID141100; AID298491; AID625154
Cytochrome P450 3A4Homo sapiens (human)Ki0.0060AID599884
5-hydroxytryptamine receptor 1AHomo sapiens (human)Ki3.0734AID1128459; AID1169862; AID1185959; AID1393366; AID342783; AID3657; AID694795
5-hydroxytryptamine receptor 2CRattus norvegicus (Norway rat)IC500.0470AID4782
5-hydroxytryptamine receptor 2CRattus norvegicus (Norway rat)Ki0.0126AID5090
Muscarinic acetylcholine receptor M5Homo sapiens (human)IC500.0400AID625155
Muscarinic acetylcholine receptor M5Homo sapiens (human)Ki0.0275AID141100; AID625155
Alpha-2A adrenergic receptorHomo sapiens (human)IC500.5410AID625201
Alpha-2A adrenergic receptorHomo sapiens (human)Ki0.1912AID238989; AID36197; AID36199; AID625201
Muscarinic acetylcholine receptor M1Homo sapiens (human)Ki0.0107AID141100; AID141174; AID298490; AID342774
Glucose-6-phosphate 1-dehydrogenaseHomo sapiens (human)Ki497.2000AID1802951
Polyunsaturated fatty acid lipoxygenase ALOX15Oryctolagus cuniculus (rabbit)IC502.7680AID625146
Angiotensin-converting enzymeOryctolagus cuniculus (rabbit)IC50100.0000AID625171
D(2) dopamine receptorHomo sapiens (human)IC500.1180AID625253
D(2) dopamine receptorHomo sapiens (human)Ki0.0329AID1125020; AID1125021; AID1152652; AID1169860; AID1185963; AID1281952; AID1353520; AID1393368; AID1413420; AID1568825; AID1677161; AID1760279; AID1823826; AID239052; AID298478; AID342777; AID458632; AID458633; AID625253; AID63060; AID63070; AID694797
5-hydroxytryptamine receptor 2ARattus norvegicus (Norway rat)IC500.0470AID4782
5-hydroxytryptamine receptor 2ARattus norvegicus (Norway rat)Ki0.0058AID1172030; AID238882; AID410335; AID492640; AID5090
Alpha-1B adrenergic receptorRattus norvegicus (Norway rat)Ki1.8192AID1128464; AID238991; AID298478; AID3657
Alpha-2B adrenergic receptorHomo sapiens (human)IC500.4210AID625202
Alpha-2B adrenergic receptorHomo sapiens (human)Ki0.1873AID36197; AID36199; AID625202
Alpha-2C adrenergic receptorHomo sapiens (human)IC500.5310AID625203
Alpha-2C adrenergic receptorHomo sapiens (human)Ki0.1322AID238990; AID36197; AID36199; AID625203
DRattus norvegicus (Norway rat)Ki0.0711AID238855; AID238940; AID410331; AID492643; AID61517; AID61675; AID61679
D(3) dopamine receptorRattus norvegicus (Norway rat)Ki0.0390AID65622
5-hydroxytryptamine receptor 1ARattus norvegicus (Norway rat)Ki0.5000AID4066
Alpha-2B adrenergic receptorRattus norvegicus (Norway rat)Ki0.0100AID298490
Muscarinic acetylcholine receptor M3Homo sapiens (human)IC500.3920AID625153
Muscarinic acetylcholine receptor M3Homo sapiens (human)Ki0.0545AID141100; AID625153
D(1A) dopamine receptorHomo sapiens (human)IC500.0720AID625252
D(1A) dopamine receptorHomo sapiens (human)Ki0.0745AID1185962; AID1677162; AID342775; AID625252; AID63345; AID63347
D(4) dopamine receptorHomo sapiens (human)IC500.1730AID63866
D(4) dopamine receptorHomo sapiens (human)Ki0.0305AID1128466; AID298480; AID342779; AID61808; AID63537; AID64005
Alpha-2C adrenergic receptorRattus norvegicus (Norway rat)Ki0.0100AID298490
Alpha-2A adrenergic receptorRattus norvegicus (Norway rat)Ki0.0100AID298490
Alpha-1D adrenergic receptorRattus norvegicus (Norway rat)Ki2.4026AID238991; AID298478; AID3657
Sodium-dependent noradrenaline transporter Homo sapiens (human)Ki0.0040AID1799301
Adenosine receptor A1Rattus norvegicus (Norway rat)Ki0.0850AID238940
Alpha-1D adrenergic receptorHomo sapiens (human)IC500.0920AID625200
Alpha-1D adrenergic receptorHomo sapiens (human)Ki0.0291AID1682829; AID36113; AID36116; AID36118; AID625200
5-hydroxytryptamine receptor 2AHomo sapiens (human)IC500.0380AID1242912; AID5171; AID625192
5-hydroxytryptamine receptor 2AHomo sapiens (human)Ki0.0036AID1128452; AID1169863; AID1185960; AID1393364; AID1430532; AID1520007; AID1556425; AID1570059; AID1595144; AID1601980; AID1677158; AID1799301; AID1823823; AID239010; AID298482; AID342784; AID452390; AID5196; AID5197; AID5199; AID625192
5-hydroxytryptamine receptor 2CHomo sapiens (human)IC500.0210AID625218
5-hydroxytryptamine receptor 2CHomo sapiens (human)Ki0.0083AID1128453; AID1169864; AID239069; AID298485; AID342781; AID5614; AID5616; AID599883; AID625218
D(4) dopamine receptorRattus norvegicus (Norway rat)Ki0.0500AID1185965
5-hydroxytryptamine receptor 2BRattus norvegicus (Norway rat)IC500.0470AID4782
5-hydroxytryptamine receptor 2BRattus norvegicus (Norway rat)Ki0.0126AID5090
Histamine H1 receptorCavia porcellus (domestic guinea pig)Ki0.0126AID298491
Sodium-dependent serotonin transporterHomo sapiens (human)IC501.0330AID625222
Sodium-dependent serotonin transporterHomo sapiens (human)Ki7.7745AID342787; AID625222
5-hydroxytryptamine receptor 7Homo sapiens (human)Ki0.2089AID1393367; AID239149; AID298487; AID694794
Alpha-1A adrenergic receptorHomo sapiens (human)Ki0.0291AID1128462; AID1682829; AID36113; AID36116; AID36118
Histamine H1 receptorHomo sapiens (human)IC500.0130AID625269
Histamine H1 receptorHomo sapiens (human)Ki0.0034AID1128460; AID1682828; AID239091; AID342782; AID625269; AID87242; AID87244
Alpha-1B adrenergic receptorHomo sapiens (human)Ki0.0251AID1682829; AID36113; AID36116; AID36118
D(3) dopamine receptorHomo sapiens (human)IC500.0780AID625254
D(3) dopamine receptorHomo sapiens (human)Ki0.0400AID1169861; AID1185964; AID239150; AID239151; AID298479; AID342778; AID410333; AID625254; AID65121; AID65785
5-hydroxytryptamine receptor 2BHomo sapiens (human)IC500.0570AID625217
5-hydroxytryptamine receptor 2BHomo sapiens (human)Ki0.0212AID298483; AID625217
Alpha-1A adrenergic receptorRattus norvegicus (Norway rat)Ki2.4026AID238991; AID298478; AID3657
5-hydroxytryptamine receptor 3AHomo sapiens (human)Ki0.1995AID298488
5-hydroxytryptamine receptor 6Homo sapiens (human)IC500.0130AID625221
5-hydroxytryptamine receptor 6Homo sapiens (human)Ki0.0101AID1126945; AID1172031; AID1393365; AID1430530; AID1520006; AID1556427; AID1568824; AID1570060; AID1595145; AID1601981; AID1760276; AID238747; AID298486; AID342773; AID599884; AID625221; AID694796
3-hydroxy-3-methylglutaryl-coenzyme A reductase Rattus norvegicus (Norway rat)Ki0.0140AID599883
D(2) dopamine receptorRattus norvegicus (Norway rat)IC500.1580AID61415
D(2) dopamine receptorRattus norvegicus (Norway rat)Ki0.0562AID1128454; AID1172033; AID238941; AID410332; AID492642; AID63809; AID63824; AID65563
Potassium voltage-gated channel subfamily H member 2Homo sapiens (human)IC5011.2914AID161281; AID243151; AID386536; AID397743; AID408340; AID576612; AID625171
Potassium voltage-gated channel subfamily H member 2Homo sapiens (human)Ki36.0000AID410338; AID492638
Sigma non-opioid intracellular receptor 1Cavia porcellus (domestic guinea pig)Ki0.0090AID1353520
TransporterRattus norvegicus (Norway rat)Ki2.0000AID342786
Nuclear receptor subfamily 3 group C member 3 Bos taurus (cattle)IC50100.0000AID625171
5-hydroxytryptamine receptor 3DHomo sapiens (human)Ki0.1995AID298488
5-hydroxytryptamine receptor 3CHomo sapiens (human)Ki0.1995AID298488
Canalicular multispecific organic anion transporter 1Homo sapiens (human)IC50133.0000AID1473739
TransporterRattus norvegicus (Norway rat)Ki0.9580AID238962

Activation Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
5-hydroxytryptamine receptor 1AHomo sapiens (human)Kd1.2589AID438555
Muscarinic acetylcholine receptor M1Homo sapiens (human)EC50100.0000AID1757456
Histamine H1 receptorHomo sapiens (human)Kd0.0001AID692513

Other Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
FAD-linked sulfhydryl oxidase ALRHomo sapiens (human)AC500.3690AID493248
ATP-dependent translocase ABCB1Homo sapiens (human)Km8.3000AID681619
UDP-glucuronosyltransferase 1A4Homo sapiens (human)Km227.0000AID624633

Bioassays (459)

Assay IDTitleYearJournalArticle
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1601981Displacement of [3H]-LSD from recombinant human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting analysis2019European journal of medicinal chemistry, Mar-15, Volume: 166ISSN: 1768-3254Synthesis of novel pyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT
AID1079944Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID298481Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID171680Effect of compound on apomorphine induced catalepsy, from rat brain striatum at 30 umol/kg upon subcutaneous administration; Catalepsy = 0/41998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID625279Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID114862Effective dose required for to antagonize apomorphine-induced climbing in mice after administration of 0.12 mg/kg dose subcutaneously2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID298486Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID3657Binding affinity towards human 5-hydroxytryptamine 1 receptor2001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID298485Displacement of [3H]mesulergine from 5HT2C receptor expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID238855Inhibition of [3H]SCH-23390 binding to rat Dopamine receptor D12005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID588216FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
ISSN: 1570-1638
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1185962Displacement of [3H]SCH23390 from human dopamine D1 receptor by liquid scintillation counting2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
ISSN: 1464-3405
Further evaluation of the tropane analogs of haloperidol.
AID177351In vivo inhibition against catalepsy in rats after oral administration evaluated by metal bar2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID229416Selectivity ratio (D1/D2)2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID130696In vivo inhibitory activity against 5-MeO-DMT-Induced Head-Twitches in mouse after oral administration2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID458633Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells2010Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6
ISSN: 1520-4804
Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).
AID694795Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr2012European journal of medicinal chemistry, Oct, Volume: 56ISSN: 1768-3254The multiobjective based design, synthesis and evaluation of the arylsulfonamide/amide derivatives of aryloxyethyl- and arylthioethyl- piperidines and pyrrolidines as a novel class of potent 5-HT₇ receptor antagonists.
AID410338Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method2009Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1
ISSN: 1520-4804
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.
AID1169864Binding affinity to 5HT2C receptor (unknown origin)2014Journal of medicinal chemistry, Nov-26, Volume: 57, Issue:22
ISSN: 1520-4804
Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies.
AID374351Antiviral activity against BKV Gardner ATCC VR837 infected in human WI38 cells assessed as reduction in viral DNA level preincubated for 2 hrs before viral infection measured after 7 days by real time PCR assay2007Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12
ISSN: 0066-4804
BK Virus replication in vitro: limited effect of drugs interfering with viral uptake and intracellular transport.
AID624633Drug glucuronidation reaction catalyzed by human recombinant UGT1A42005Pharmacology & therapeutics, Apr, Volume: 106, Issue:1
ISSN: 0163-7258
UDP-glucuronosyltransferases and clinical drug-drug interactions.
AID1393475Reversal of ketamine-induced cognitive flexibility in ip dosed Sprague-Dawley rat administered 30 mins prior to ketamine administration by attentional set-shifting test2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID1217705Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID625286Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID342781Binding affinity to human cloned 5HT2C receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID588215FDA HLAED, alkaline phosphatase increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
ISSN: 1570-1638
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID35289In vitro binding affinity towards alpha-1 adrenergic receptor in rat frontal cortex homogenate using of [3H]prazosin as radioligand2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID1393469Toxicity in ip dosed Sprague-Dawley rat assessed as sedation pretreated for 60 mins followed by PCP addition measured for 30 mins starting 15 min after rat reintroduction to auto-tracks2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID29359Ionization constant (pKa)2000Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13
ISSN: 0022-2623
QSAR model for drug human oral bioavailability.
AID1473740Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1152652Antagonist activity at human recombinant at D2S receptor assessed as inhibition of dopamine-induced cAMP accumulation2014Journal of medicinal chemistry, Jun-12, Volume: 57, Issue:11
ISSN: 1520-4804
Novel arylsulfonamide derivatives with 5-HT₆/5-HT₇ receptor antagonism targeting behavioral and psychological symptoms of dementia.
AID185010Effect of compound on apomorphine induced locomotor hyperactivity (APO-induced LMA), from rat brain striatum at 30 umol/kg upon subcutaneous administration; LMA (locomotor activity)1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID1079933Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value isGastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID246865In vivo effective dose against spontaneous locomotor activity was determined in rats2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID588214FDA HLAED, liver enzyme composite activity2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
ISSN: 1570-1638
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1823823Displacement of [3H]-ketanserin from human human 5-HT2A receptor transfected in CHO-K1 cells measured after 60 mins by scintillation counting method2021Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17
ISSN: 1520-4804
AID61679pKi value for Dopamine receptor D1 binding site1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID238990Inhibition of [3H]rauwolscine binding to Alpha-2C adrenergic receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID588219FDA HLAED, gamma-glutamyl transferase (GGT) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
ISSN: 1570-1638
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1128453Displacement of [125]DOI from human recombinant full length 5HT2C receptor expressed in HEK293E cells2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID1169862Binding affinity to 5HT1A receptor (unknown origin)2014Journal of medicinal chemistry, Nov-26, Volume: 57, Issue:22
ISSN: 1520-4804
Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies.
AID171545Effect of compound on apomorphine induced catalepsy, from rat brain striatum at 10 umol/kg upon subcutaneous administration; Catalepsy = 0/41998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID1185965Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
ISSN: 1464-3405
Further evaluation of the tropane analogs of haloperidol.
AID177349In vivo inhibition against MK-801 induced hyperactivity in rats after oral administration2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID1823833Displacement of [3H]-pyrilamine from human recombinant histamine H1 receptor expressed in human recombinant CHO-K1 cells at 1 uM incubated for 60 mins by solid scintillation counting method relative to control2021Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17
ISSN: 1520-4804
AID1760276Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method2020European journal of medicinal chemistry, Oct-01, Volume: 203ISSN: 1768-3254Chlorine substituents and linker topology as factors of 5-HT
AID177353In vivo inhibition against conditioned avoidance response in rats after oral administration2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID576612Inhibition of human ERG2011European journal of medicinal chemistry, Feb, Volume: 46, Issue:2
ISSN: 1768-3254
Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.
AID330557Binding affinity to alphaMSH receptor at 10 nM2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID738112Displacement of [3H]raclopride from D2 receptor in human corpus striatum after 30 mins by scintillation counting2013Bioorganic & medicinal chemistry letters, Apr-01, Volume: 23, Issue:7
ISSN: 1464-3405
[11C]olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand.
AID301041Antipsychotic activity in orally dosed Wistar rat assessed as inhibition of conditioned avoidance response after 1 hr2007Bioorganic & medicinal chemistry letters, Oct-01, Volume: 17, Issue:19
ISSN: 0960-894X
Novel sulfonamides having dual dopamine D2 and D3 receptor affinity show in vivo antipsychotic efficacy with beneficial cognitive and EPS profile.
AID61675Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID1393368Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID65253Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogenate1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID1595145Displacement of [3H] LSD from human recombinant 5-HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting method2019European journal of medicinal chemistry, May-15, Volume: 170ISSN: 1768-3254
AID1128456Selectivity ratio of Ki for rat recombinant dopamine D2 short receptor to Ki for human recombinant full length 5HT2A receptor2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID599883Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells2010Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18
ISSN: 1464-3405
Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles as dual serotonin 5-HT2C and 5-HT6 receptor ligands.
AID243151Inhibitory concentration against potassium channel HERG2005Bioorganic & medicinal chemistry letters, Jun-02, Volume: 15, Issue:11
ISSN: 0960-894X
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.
AID161281Inhibition of human Potassium channel HERG expressed in mammalian cells2003Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16
ISSN: 0960-894X
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods.
AID5250Binding affinity which represents concentration giving half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor rat tissue homogenate1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID246836In vivo effective dose was determined against apomorphine climbing in rats2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID64005Binding affinity towards human Dopamine receptor D4.2 in CHO cells1996Journal of medicinal chemistry, Sep-27, Volume: 39, Issue:20
ISSN: 0022-2623
Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate.
AID1185959Displacement of [3H] 8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
ISSN: 1464-3405
Further evaluation of the tropane analogs of haloperidol.
AID1823832Displacement of [3H]-scopolamine from human recombinant muscarinic M1 receptor expressed in human recombinant CHO-K1 cells at 1 uM incubated for 120 mins by solid scintillation counting method relative to control2021Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17
ISSN: 1520-4804
AID342784Binding affinity to human cloned 5HT2A receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID1393473Reversal of ketamine-induced working social withdrawal in ip dosed Sprague-Dawley rat pretreated for 60 mins followed by ketamine administration2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID1079938Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID1079949Proposed mechanism(s) of liver damage. [column 'MEC' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID625287Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1568824Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay2019European journal of medicinal chemistry, Sep-15, Volume: 178ISSN: 1768-3254Synthesis and computer-aided SAR studies for derivatives of phenoxyalkyl-1,3,5-triazine as the new potent ligands for serotonin receptors 5-HT
AID1677164In vivo receptor occupancy at human dopamine D2 receptor in schizophrenia patient brain at 10 mCi, iv by PET scanning2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID5614Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor2004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID1409608AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).2020Nature, 07, Volume: 583, Issue:7816
ISSN: 1476-4687
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID63347Binding affinity towards human Dopamine receptor D12004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID625288Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID63537Binding affinity towards human dopamine receptor D42001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID238941Inhibition of [3H]spiperone binding to rat dopamine D2 receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID1520007Binding affinity to human 5-HT2AR expressed in HEK293 cells by competitive binding assay2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID588217FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
ISSN: 1570-1638
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1128468Selectivity ratio of Ki for adrenergic alpha1A receptor (unknown origin) to Ki for human recombinant full length 5HT2A receptor2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID24452logY value was determined2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID230094Ratio of pKi of compound towards 5-HT2 receptor to that of D1 receptor1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID65620Half-maximal inhibition of [3H]-spiperone binding to Dopamine receptor D3 in rat tissue homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID342775Binding affinity to human cloned dopamine D1 receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID298492Displacement of [3H]prazosin from adrenergic alpha1 receptor in rat cerebral cortex2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID588213Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
ISSN: 1520-5010
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID738353Displacement of [3H]mesulergine from 5-HT2C receptor in human frontal cortex after 30 mins by scintillation counting2013Bioorganic & medicinal chemistry letters, Apr-01, Volume: 23, Issue:7
ISSN: 1464-3405
[11C]olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand.
AID1185960Displacement of [3H]Ketanserin from human 5-HT2A receptor by liquid scintillation counting2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
ISSN: 1464-3405
Further evaluation of the tropane analogs of haloperidol.
AID1393467Toxicity in Wistar rat assessed as increase in prolactin level at 3 mg/kg, po after 60 mins by ELISA2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID1217707Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID1079934Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID438555Binding affinity to 5HT1A receptor2009Journal of medicinal chemistry, Oct-08, Volume: 52, Issue:19
ISSN: 1520-4804
Physical binding pocket induction for affinity prediction.
AID298494Displacement of [3H]pyrilamine from histaminergic H1 receptor guinea pig cerebellum2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID246864In vivo effective dose against conditioned avoidance response was determined in rats2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID239149Inhibition of [3H]5-HT binding to human 5-hydroxytryptamine 7 receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID87244Binding affinity towards human H1 receptor2001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID238991Inhibition of [3H]prazosin binding to rat Alpha-1 adrenergic receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID298493Displacement of [3H]RX 821002 from adrenergic alpha-2 receptor in rat cerebral cortex2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID1172033Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum2015Bioorganic & medicinal chemistry, Jan-01, Volume: 23, Issue:1
ISSN: 1464-3391
Antidepressant- and anxiolytic-like activity of 7-phenylpiperazinylalkyl-1,3-dimethyl-purine-2,6-dione derivatives with diversified 5-HT₁A receptor functional profile.
AID298482Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID1677162Binding affinity to human dopamine D1 receptor2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID1125021Displacement of [3H]spiperone from human dopamine D2S receptor S5.43T/S5.46A mutant expressed in CHO-K1 cell membrane after 2 hrs by beta counting2014European journal of medicinal chemistry, Apr-22, Volume: 77ISSN: 1768-3254Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles.
AID298480Displacement of [3H]spiperone from human dopamine D4.4 receptor expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID678713Inhibition of human CYP2C9 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
ISSN: 1520-5010
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1556427Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter method2019European journal of medicinal chemistry, Oct-01, Volume: 179ISSN: 1768-32542-Aminoimidazole-based antagonists of the 5-HT
AID1204345Displacement of [3H]N-methylspiperone from dopamine D3 receptor (unknown origin) assessed as total radioligand binding at 1 uM incubated for 60 mins by microbeta plate reader based method2015European journal of medicinal chemistry, Jun-05, Volume: 97ISSN: 1768-3254Structure-activity relationships and molecular studies of novel arylpiperazinylalkyl purine-2,4-diones and purine-2,4,8-triones with antidepressant and anxiolytic-like activity.
AID1128474Inhibition of quipazine-induced head twitches in po dosed rat head twitch model administered 25 mins prior to quipazine challenge measured after 30 mins2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID1823851Sedative activity in ip dosed Wistar rat assessed as effect on spontaneous locomotor activity measured for 10 mins by social interaction test2021Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17
ISSN: 1520-4804
AID230935Ratio of the catalepsy to that of conditioned avoidance response in rats2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID1409613Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.2020Nature, 07, Volume: 583, Issue:7816
ISSN: 1476-4687
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID330561Displacement of [3H]mepyramine from H1R in rat brain2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID1409607IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells).2020Nature, 07, Volume: 583, Issue:7816
ISSN: 1476-4687
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID395326Fraction unbound in rat brain2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
ISSN: 1520-4804
Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.
AID1677154Ratio of RO50 for in vivo receptor occupancy at dopamine D2 receptor in sc dosed rat brain by measuring free plasma concentration pretreated 1 hr in presence of raclopride to RO50 for in vivo receptor occupancy at dopamine D1 receptor in sc dosed rat brai2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID1079939Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID1128452Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID113515In vivo inhibitory activity tested in apomorphine climbing mice after oral administration2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID246931In vivo effective dose for reversal of tryptamine-induced backward locomotion in rats2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID246835In vivo effective dose against catalepsy response was determined in rats2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID298491Displacement of [3H]4-DAMP from human M4 receptor expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID229417Selectivity ratio (D3/D1)2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID1430530Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)2017ACS medicinal chemistry letters, Apr-13, Volume: 8, Issue:4
ISSN: 1948-5875
AID61502Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogenate1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID5326Half-maximal inhibition of [3H]- Ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID678714Inhibition of human CYP2C19 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 3-butyryl-7-methoxycoumarin as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
ISSN: 1520-5010
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID25470Area under curve (AUC) value of Dopamine level after second treatment (24.8 uM/Kg) in dialysates collected from rat striatum2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID1281952Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells2016European journal of medicinal chemistry, Apr-13, Volume: 112ISSN: 1768-3254Rational design in search for 5-phenylhydantoin selective 5-HT7R antagonists. Molecular modeling, synthesis and biological evaluation.
AID61415Binding affinity towards Dopamine receptor D2 was determined in rat striatal homogenate using [3H]- spiperone as radioligand1996Journal of medicinal chemistry, Sep-27, Volume: 39, Issue:20
ISSN: 0022-2623
Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate.
AID25466Area under curve (AUC) value of DOPAC level after first treatment (7.4 uM/Kg) in dialysates collected from rat striatum.2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID625292Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID298487Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID458640Reduction in 3,4-dihydroxyphenylacetic acid level in Sprague-Dawley rat striatum at 10.5 umol/kg, sc relative to saline treated control2010Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6
ISSN: 1520-4804
Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).
AID410332Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry2009Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1
ISSN: 1520-4804
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.
AID251584Relative binding affinity against 5-hydroxytryptamine 2A and dopamine D2 receptors2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
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
ISSN: 1878-5832
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1413420Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cell membranes after 1 hr by microbeta counting method2018MedChemComm, Jun-01, Volume: 9, Issue:6
ISSN: 2040-2503
AID1570061Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation counting method2019European journal of medicinal chemistry, Oct-15, Volume: 180ISSN: 1768-3254Synthesis of new 5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT
AID36116Binding affinity towards human alpha-1 adrenergic receptor2001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID239091Inhibition of [3H]pyrilamine binding to human Histamine H1 receptor 2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID298483Displacement of [3H]LSD from 5HT2B receptor expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID1682828Binding affinity to H1 histamine receptor (unknown origin)2021Bioorganic & medicinal chemistry letters, 01-01, Volume: 31ISSN: 1464-3405
AID395324Lipophilicity, log D at pH 7.4 by liquid chromatography2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
ISSN: 1520-4804
Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.
AID1823850Anxiolytic activity in stress-induced anxiety ip dosed Wistar rat model assessed as increase in open arm entry measured after 30 mins by elevated plus maze test2021Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17
ISSN: 1520-4804
AID342782Binding affinity to human cloned histamine H1 receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID1409611AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay.2020Nature, 07, Volume: 583, Issue:7816
ISSN: 1476-4687
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID171544Effect of compound on apomorphine induced catalepsy, from rat brain striatum at 1 umol/kg upon subcutaneous administration; Catalepsy = 0/41998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID395325Lipophilicity, log P by microemulsion electrokinetic chromatography2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
ISSN: 1520-4804
Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.
AID65121Binding affinity towards human dopamine receptor D32001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID678722Covalent binding affinity to human liver microsomes assessed per mg of protein at 10 uM after 60 mins presence of NADPH2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
ISSN: 1520-5010
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID298479Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID1128459Inhibition of human 5HT1A receptor2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID230095Ratio of pKi of compound towards 5-HT2 receptor to that of D2 receptor1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID247009In vivo effective dose to inhibit apomorphine induced agitation in rats upon subcutaneous administration2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID1125020Displacement of [3H]spiperone from wild-type human dopamine D2S receptor expressed in CHO-K1 cell membrane after 2 hrs by beta counting2014European journal of medicinal chemistry, Apr-22, Volume: 77ISSN: 1768-3254Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles.
AID238940Inhibition of [3H]-SCH- 23390 binding to rat dopamine D1 receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID1079947Comments (NB not yet translated). [column 'COMMENTAIRES' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID25474Area under curve (AUC) value of HVA level after total treatment in dialysates collected from rat striatum.2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID397743Inhibition of human ERG channel2009Journal of medicinal chemistry, Jul-23, Volume: 52, Issue:14
ISSN: 1520-4804
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.
AID5196Binding affinity towards human 5-HT2A receptor in BEK cells1996Journal of medicinal chemistry, Sep-27, Volume: 39, Issue:20
ISSN: 0022-2623
Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate.
AID781326pKa (acid-base dissociation constant) as determined by Avdeef ref: DOI: 10.1002/047145026X2014Pharmaceutical research, Apr, Volume: 31, Issue:4
ISSN: 1573-904X
Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID588220Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset2008Toxicology mechanisms and methods, , Volume: 18, Issue:2-3
ISSN: 1537-6524
Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
AID1393480Effect on failure incidence during conditioned avoidance response test in Sprague-Dawley rat at 2 mg/kg, ip administered 60 mins prior to testing2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID25469Area under curve (AUC) value of Dopamine level after first treatment (7.4 uM/Kg) in dialysates collected from rat striatum.2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
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
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID238989Inhibition of [3H]rauwolscine binding to Alpha-2A adrenergic receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID65785Binding affinity towards human Dopamine receptor D32004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID625289Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID395329Dissociation constant, pKa by mass spectrometry2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
ISSN: 1520-4804
Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.
AID1217727Intrinsic clearance for reactive metabolites formation per mg of protein in human liver microsomes based on [3H]GSH adduct formation rate at 100 uM by [3H]GSH trapping assay2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID185006Effect of compound on apomorphine induced locomotor hyperactivity (APO-induced LMA), from rat brain striatum at 1 umol/kg upon subcutaneous administration; LMA (locomotor activity)1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID246918In vivo effective dose to inhibit tryptamine-induced bilateral convulsions in rats2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID678716Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using diethoxyfluorescein as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
ISSN: 1520-5010
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID298478Displacement of [3H]spiperone from human dopamine D2 receptor short form expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID1393366Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting method2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID1204346Displacement of [3H]N-methylspiperone from dopamine D3 receptor (unknown origin) assessed as total radioligand binding at 1.66 x 10'-7 M incubated for 60 mins by microbeta plate reader based method2015European journal of medicinal chemistry, Jun-05, Volume: 97ISSN: 1768-3254Structure-activity relationships and molecular studies of novel arylpiperazinylalkyl purine-2,4-diones and purine-2,4,8-triones with antidepressant and anxiolytic-like activity.
AID1393470Therapeutic index, ratio of MED for sedation in ip dosed Sprague-Dawley rat to MED for antipsychotic activity in ip dosed Sprague-Dawley rat assessed as reduction in PCP-induced hyper-locomotion2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID298490Displacement of [3H]pirenzepine from human M1 receptor expressed in CHO cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID1677158Binding affinity to human 5HT2A receptor2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID230096Ratio of pKi of compound towards D1 receptor to that of D2 receptor1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID1823849Antipsychotic activity in ip dosed Wistar rat assessed as induction of MK801-induced hyperlocomotor activity by measuring minimum effective dose measured for 15 mins2021Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17
ISSN: 1520-4804
AID588211Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
ISSN: 1520-5010
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1677155In vivo receptor occupancy at dopamine D1 receptor in sc dosed rat brain by measuring free plasma concentration pretreated for 1 hr in presence of SCH-23390 by LC-MS/MS analysis2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID63345Binding affinity against dopamine receptor D12001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID177692In vivo inhibition of spontaneous locomotory activity tested in rats after oral administration2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID492638Binding affinity to human ERG expressed in HEK293 cells2010Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12
ISSN: 1520-4804
Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.
AID1217712Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID238747Binding affinity for human 5-hydroxytryptamine 6 receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Medicinal chemistry driven approaches toward novel and selective serotonin 5-HT6 receptor ligands.
AID458645Reduction in spontaneous locomotor activity in Sprague-Dawley rat striatum at 10.5 umol/kg, sc relative to control2010Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6
ISSN: 1520-4804
Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).
AID239069Inhibition of [3H]mesulergine binding to human 5-hydroxytryptamine 2C receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID5199Binding affinity for human 5-hydroxytryptamine 2A receptor2001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID374353Cytotoxicity against human WI38 cells assessed as reduction in cellular DNA level preincubated for 2 hrs before viral infection measured after 7 days by real time PCR assay2007Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12
ISSN: 0066-4804
BK Virus replication in vitro: limited effect of drugs interfering with viral uptake and intracellular transport.
AID61527In vitro binding affinity towards Dopamine receptor D1 in rat tissue homogenate using [3H]-SCH- 23390 as radioligand2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID298488Displacement of [3H]BLR-43694 from human 5HT3 receptor expressed in HEK293 cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID539464Solubility of the compound in 0.1 M phosphate buffer at 600 uM at pH 7.4 after 24 hrs by LC/MS/MS analysis2010Bioorganic & medicinal chemistry letters, Dec-15, Volume: 20, Issue:24
ISSN: 1464-3405
Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate.
AID458651Reduction in amphetamine-induced locomotor activity in Sprague-Dawley rat striatum at 10.5 umol/kg, sc relative to control2010Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6
ISSN: 1520-4804
Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).
AID5197Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor2004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID625290Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID715349Toxicity in rat assessed as decrease in lean body mass at 4 mg/kg, po administered for 7 days relative to vehicle-treated control2012Bioorganic & medicinal chemistry letters, Sep-15, Volume: 22, Issue:18
ISSN: 1464-3405
Discovery of tetrahydropyridopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
AID1570060Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation counting method2019European journal of medicinal chemistry, Oct-15, Volume: 180ISSN: 1768-3254Synthesis of new 5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT
AID1128469Selectivity ratio of Ki for adrenergic alpha1B receptor (unknown origin) to Ki for human recombinant full length 5HT2A receptor2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID1677161Binding affinity to human dopamine D2 receptor2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID1393367Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID1601983Displacement of [3H]-raclopride from recombinant human D2 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting analysis2019European journal of medicinal chemistry, Mar-15, Volume: 166ISSN: 1768-3254Synthesis of novel pyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT
AID715351Toxicity in rat assessed as decrease in weight gain at 4 mg/kg, po administered for 7 days relative to vehicle-treated control2012Bioorganic & medicinal chemistry letters, Sep-15, Volume: 22, Issue:18
ISSN: 1464-3405
Discovery of tetrahydropyridopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
AID1473741Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID625281Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID61517Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID492642Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry2010Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12
ISSN: 1520-4804
Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.
AID678715Inhibition of human CYP2D6 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 4-methylaminoethyl-7-methoxycoumarin as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
ISSN: 1520-5010
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID246894In vivo effective dose for reversal of RO-4-1284 induced hypothermia in mouse2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID330558Binding affinity to alphaMSH receptor at 100 nM2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID1128466Inhibition of human dopamine D4 receptor2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID1760279Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method2020European journal of medicinal chemistry, Oct-01, Volume: 203ISSN: 1768-3254Chlorine substituents and linker topology as factors of 5-HT
AID330539Increase in alpha-2AMPK activity in H1RKO mouse hyphalamic slices2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID65622In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes using [3H]7-OH-DPAT as radioligand2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID25471Area under curve (AUC) value of Dopamine level after total treatment in dialysates collected from rat striatum.2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID87242Binding affinity towards human histamine H1 receptor2004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID1169861Binding affinity to dopamine D3 receptor (unknown origin)2014Journal of medicinal chemistry, Nov-26, Volume: 57, Issue:22
ISSN: 1520-4804
Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies.
AID1079942Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID330551Increase in phospho-AMPK level in arcuate hyphalamic nuclei intact H1RKO mouse at 5 mg/kg after 3 hrs by immunohistochemistry2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID588218FDA HLAED, lactate dehydrogenase (LDH) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
ISSN: 1570-1638
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1079948Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID410334Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry2009Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1
ISSN: 1520-4804
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.
AID1601980Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in HEK293 cells measured after 1.5 hrs by microbeta scintillation counting analysis2019European journal of medicinal chemistry, Mar-15, Volume: 166ISSN: 1768-3254Synthesis of novel pyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT
AID246883In vivo effective dose for reversal of tryptamine-induced cyanosis in rats2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID1079946Presence of at least one case with successful reintroduction. [column 'REINT' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID1079935Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID1601982Displacement of [3H]-5-CT from recombinant human 5HT7 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting analysis2019European journal of medicinal chemistry, Mar-15, Volume: 166ISSN: 1768-3254Synthesis of novel pyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT
AID1079941Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID1393471Reversal of PCP-induced cognitive impairment in ip dosed Sprague-Dawley rat assessed as reduction in time spent exploring novel object over familiar object pretreated for 60 mins followed by PCP addition by novel object recognition assay2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID681619TP_TRANSPORTER: ATP hydrolysis in membranes from MDR1-expressing insect cells2002Life sciences, May-31, Volume: 71, Issue:2
ISSN: 0024-3205
In vitro P-glycoprotein affinity for atypical and conventional antipsychotics.
AID1185964Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
ISSN: 1464-3405
Further evaluation of the tropane analogs of haloperidol.
AID1409609Cytotoxicity of compound against Vero E6 cells by MTT assay.2020Nature, 07, Volume: 583, Issue:7816
ISSN: 1476-4687
A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.
AID25472Area under curve (AUC) value of HVA level after first treatment (7.4 uM/Kg) in dialysates collected from rat striatum.2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID410335Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry2009Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1
ISSN: 1520-4804
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.
AID114868Effective dose required to antagonize apomorphine-induced climbing in mice after administration of 2.69 mg/kg dose through oral route2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID25473Area under curve (AUC) value of HVA level after second treatment (24.8 uM/Kg) in dialysates collected from rat striatum.2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID1217729Intrinsic clearance for reactive metabolites formation assessed as summation of [3H]GSH adduct formation rate-based reactive metabolites formation and cytochrome P450 (unknown origin) inactivation rate-based reactive metabolites formation2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID625284Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1677159Drug metabolism in human hepatocyte microsome fraction assessed as GSH conjugate formation by LC-MS/MS analysis2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID342774Binding affinity to human cloned muscarinic M1 receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID738352Displacement of [3H]ketanserin from 5-HT2A receptor in human frontal cortex after 30 mins by scintillation counting2013Bioorganic & medicinal chemistry letters, Apr-01, Volume: 23, Issue:7
ISSN: 1464-3405
[11C]olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand.
AID114866Effective dose required to antagonize apomorphine-induced climbing in mice after administration of 0.18 mg/kg dose subcutaneously2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID1570062Displacement of [3H]-raclopride from human D2 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation counting method2019European journal of medicinal chemistry, Oct-15, Volume: 180ISSN: 1768-3254Synthesis of new 5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT
AID29813Oral bioavailability in human2000Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13
ISSN: 0022-2623
QSAR model for drug human oral bioavailability.
AID63866Inhibitory concentration against human Dopamine receptor D4.2 in CHO cells1996Journal of medicinal chemistry, Sep-27, Volume: 39, Issue:20
ISSN: 0022-2623
Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate.
AID1079937Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID386536Inhibition of human ERG potassium channel2008Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7
ISSN: 1464-3391
A binary QSAR model for classification of hERG potassium channel blockers.
AID238882Inhibition of [3H]ketanserin binding to rat 5-hydroxytryptamine 2A receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID1185963Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
ISSN: 1464-3405
Further evaluation of the tropane analogs of haloperidol.
AID1568825Displacement of [3H]-raclopride from human D2L receptor expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay2019European journal of medicinal chemistry, Sep-15, Volume: 178ISSN: 1768-3254Synthesis and computer-aided SAR studies for derivatives of phenoxyalkyl-1,3,5-triazine as the new potent ligands for serotonin receptors 5-HT
AID25468Area under curve (AUC) value of DOPAC level after total treatment in dialysates collected from rat striatum.2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID1128460Inhibition of histamine H1 receptor (unknown origin)2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID185007Effect of compound on apomorphine induced locomotor hyperactivity (APO-induced LMA), from rat brain striatum at 10 umol/kg upon subcutaneous administration; LMA (locomotor activity)1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID1128454Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID87529Half-maximal inhibition of [3H]7-OH-DPAT binding to Histamine H1 receptor in rat tissue homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID492640Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry2010Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12
ISSN: 1520-4804
Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.
AID61808Binding affinity towards human dopamine-4.2 receptor2004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID63809Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID87531In vitro binding affinity towards Histamine H1 receptor of rat frontal cortex homogenate by using radioligand [3H]pyrilamine2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID1128455Selectivity ratio of Ki for human recombinant full length 5HT2C receptor to Ki for human recombinant full length 5HT2A receptor2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID232153Ratio of 5-HT2A receptor to that of dopamine 2 (D2) receptor in rat tissue homogenate2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID492643Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry2010Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12
ISSN: 1520-4804
Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.
AID5090pKi value for 5-hydroxytryptamine 2 receptor binding site1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID1757456Agonist activity at muscarinic M1 receptor (unknown origin) expressed in CHO cells2021Bioorganic & medicinal chemistry letters, 05-15, Volume: 40ISSN: 1464-3405Identification of 2-fluoro-8-methyl-11-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5H-dibenzo[b,e][1,4]diazepine with clozapine-like mixed activities at muscarinic acetylcholine, dopamine, and serotonin receptors.
AID141100Binding affinity towards human muscarinic receptor2004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID35276Inhibition of [3H]-prazosin binding to Alpha-1 adrenergic receptor in rat frontal cortex homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID1570059Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cells incubated for 1.5 hrs by Cheng-Prusoff analysis based microbeta scintillation counting method2019European journal of medicinal chemistry, Oct-15, Volume: 180ISSN: 1768-3254Synthesis of new 5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT
AID63060Binding affinity towards human Dopamine receptor D22004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID678721Metabolic stability in human liver microsomes assessed as GSH adduct formation at 100 uM after 90 mins by HPLC-MS analysis2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
ISSN: 1520-5010
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1079940Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID114871Effective dose required to induce catalepsy in mice after administration of 21.2 mg/kg dose through oral route2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID1172030Displacement of [3H]-ketanserin from 5-HT2AR in rat cortex2015Bioorganic & medicinal chemistry, Jan-01, Volume: 23, Issue:1
ISSN: 1464-3391
Antidepressant- and anxiolytic-like activity of 7-phenylpiperazinylalkyl-1,3-dimethyl-purine-2,6-dione derivatives with diversified 5-HT₁A receptor functional profile.
AID1079932Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID141837Half-maximal inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor M1 in rat frontal cortex homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID625282Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1393472Antipsychotic activity in ip dosed Sprague-Dawley rat assessed as suppression of avoidance behavior by avoiding foot shock administered 60 mins prior to test by conditioned avoidance response test2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID1126945Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting analysis2014European journal of medicinal chemistry, May-06, Volume: 78ISSN: 1768-3254SAR-studies on the importance of aromatic ring topologies in search for selective 5-HT(7) receptor ligands among phenylpiperazine hydantoin derivatives.
AID1393474Toxicity in ip dosed Sprague-Dawley rat assessed as induction of catalepsy measured every 30 mins up to 240 mins by bar test2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID238962Inhibition of [3H]nisoxetine binding to rat Norepinephrine transporter2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID180551The compound was tested in vivo for induction of catalepsy in rat after ip administration1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623
N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents.
AID1128464Inhibition of rat adrenergic alpha1B receptor2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID588212Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
ISSN: 1520-5010
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID408340Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique2008Bioorganic & medicinal chemistry, Jun-01, Volume: 16, Issue:11
ISSN: 1464-3391
Support vector machines classification of hERG liabilities based on atom types.
AID715350Toxicity in rat assessed as decrease in total body fat at 4 mg/kg, po administered for 7 days relative to vehicle-treated control2012Bioorganic & medicinal chemistry letters, Sep-15, Volume: 22, Issue:18
ISSN: 1464-3405
Discovery of tetrahydropyridopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
AID625280Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1079943Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID1217728Intrinsic clearance for reactive metabolites formation per mg of protein based on cytochrome P450 (unknown origin) inactivation rate by TDI assay2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID27167Delta logD (logD6.5 - logD7.4)2000Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13
ISSN: 0022-2623
QSAR model for drug human oral bioavailability.
AID1217706Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID342787Binding affinity to human SERT2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID132467Antagonistic activity against apomorphine induced climbing in the mouse after po administration1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623
N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents.
AID625285Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis2011PLoS computational biology, Dec, Volume: 7, Issue:12
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID342786Binding affinity to rat NET2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID4782Binding affinity towards serotonin 5-HT2 receptor was determined in rat cortex using [3H]spiperone as ligand1996Journal of medicinal chemistry, Sep-27, Volume: 39, Issue:20
ISSN: 0022-2623
Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate.
AID36113Binding affinity towards human alpha-1 adrenergic receptor2004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID37376In vitro binding affinity towards alpha-2 adrenergic receptor in rat frontal cortex homogenate using of [3H]clonidine as radioligand2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID246858In vivo effective dose of compound against 5-MeO-DMT induced head twitches in rats2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID1823834Displacement of [3H]-prazosin from rat cortex membrane alpha1 adrenergic receptor expressed in human recombinant CHO-K1 cells at 1 uM after 30 mins by solid scintillation counting method relative to control2021Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17
ISSN: 1520-4804
AID1473738Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID458632Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity state expressed in HEK293 cells2010Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6
ISSN: 1520-4804
Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).
AID1353520Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cell membranes after 1 hr by Microbeta scintillation counting method2018European journal of medicinal chemistry, Mar-10, Volume: 147ISSN: 1768-3254Computer-aided insights into receptor-ligand interaction for novel 5-arylhydantoin derivatives as serotonin 5-HT
AID342783Binding affinity to human cloned 5HT1A receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID1595144Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor expressed in CHOK1 cells after 1 hr by microbeta scintillation counting method2019European journal of medicinal chemistry, May-15, Volume: 170ISSN: 1768-3254
AID1393365Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID28681Partition coefficient (logD6.5)2000Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13
ISSN: 0022-2623
QSAR model for drug human oral bioavailability.
AID1217710Covalent binding in human liver microsomes measured per mg of protein using radiolabelled compound at 10 uM after 1 hr incubation by liquid scintillation counting2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID694796Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells after 1 hr2012European journal of medicinal chemistry, Oct, Volume: 56ISSN: 1768-3254The multiobjective based design, synthesis and evaluation of the arylsulfonamide/amide derivatives of aryloxyethyl- and arylthioethyl- piperidines and pyrrolidines as a novel class of potent 5-HT₇ receptor antagonists.
AID1393369Selectivity index, ratio of pKi for 5-HT2AR to pKi for human D2LR2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID1682829Binding affinity to adrenergic alpha1 receptor (unknown origin)2021Bioorganic & medicinal chemistry letters, 01-01, Volume: 31ISSN: 1464-3405
AID229410Selectivity ratio (5-HT2A/D2 )2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
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
ISSN: 1553-7358
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID239052Inhibition of [3H]-spiperone binding to human Dopamine receptor D22005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID330537Increase in phospho-AMPK levels in H1RKO mouse hyphalamic slices at 500 nM after 30 mins by Western blotting2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID1393364Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID5171Inhibitory concentration against human 5-HT2A receptor in BEK cells1996Journal of medicinal chemistry, Sep-27, Volume: 39, Issue:20
ISSN: 0022-2623
Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate.
AID246870In vivo effective dose against 5-MeO-DMT-induced head twitches in rats was determined2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID141838In vitro binding affinity towards M1 receptor of rat frontal cortex homogenate by using radioligand [3H]QNB2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID1677163In vivo receptor occupancy at human dopamine D1 receptor in schizophrenia patient brain at 10 mCi, iv by PET scanning2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID330556Binding affinity to leptin receptor at 100 nM2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID114872Effective dose required to induce catalepsy in mice after administration of 6.5 mg/kg dose subcutaneously2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID458635Activity at dopamine D2L receptor expressed in HEK293 cells coexpressing Galphaqi5 assessed as maximal efficacy relative to control2010Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6
ISSN: 1520-4804
Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).
AID330559Binding affinity to neuropeptide Y receptor at 10 nM2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID330538Orexigenic activity in H1RKO mouse2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID1217709Time dependent inhibition of CYP3A4 (unknown origin) at 100 uM by LC/MS system2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID458634Selectivity ratio of Ki for human dopamine D2 receptor at low affinity state to Ki for human dopamine D2 receptor at high affinity state2010Journal of medicinal chemistry, Mar-25, Volume: 53, Issue:6
ISSN: 1520-4804
Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).
AID342778Binding affinity to human cloned dopamine D3 receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID1677160Selectivity ratio of Ki for human dopamine D1 receptor to human dopamine D2 receptor2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID1079945Animal toxicity known. [column 'TOXIC' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID36197Binding affinity towards human alpha-2 adrenergic receptor2001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID1079931Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID342773Binding affinity to human cloned 5HT6 receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID1128462Inhibition of adrenergic alpha1A receptor (unknown origin)2014Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6
ISSN: 1520-4804
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
AID410331Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry2009Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1
ISSN: 1520-4804
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.
AID410333Displacement of [3H]7OH-DPAT from dopamine D3 receptor expressed in Sf9 cells by scintillation spectrometry2009Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1
ISSN: 1520-4804
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.
AID63070Binding affinity towards human D2 dopamine receptor.2001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID1823826Displacement of [3H]-methylspiperone from human D2 receptor transfected in CHO-K1 cells measured after 60 mins by scintillation counting method2021Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17
ISSN: 1520-4804
AID1430532Binding affinity to 5HT2A receptor (unknown origin)2017ACS medicinal chemistry letters, Apr-13, Volume: 8, Issue:4
ISSN: 1948-5875
AID492641Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat CRL:CD(SD)BR-COBS hippocampus by scintillation spectrometry2010Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12
ISSN: 1520-4804
Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.
AID692513Binding affinity to human histamine H1 receptor2011Journal of medicinal chemistry, Jan-13, Volume: 54, Issue:1
ISSN: 1520-4804
Histamine H3 receptor as a drug discovery target.
AID342777Binding affinity to human cloned dopamine D2 receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID342779Binding affinity to human cloned dopamine D4 receptor2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
ISSN: 1464-3391
Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.
AID5616Binding affinity towards human 5-hydroxytryptamine 2C receptor2001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID694797Binding affinity to human dopamine D2L receptor expressed in HEK293 cells after 1 hr2012European journal of medicinal chemistry, Oct, Volume: 56ISSN: 1768-3254The multiobjective based design, synthesis and evaluation of the arylsulfonamide/amide derivatives of aryloxyethyl- and arylthioethyl- piperidines and pyrrolidines as a novel class of potent 5-HT₇ receptor antagonists.
AID114864Effective dose required to antagonize 5-MeO-DMT-induced head twitches in mice after administration of 1.45 mg/kg dose orally2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID239150Inhibition of [125I]iodosulpiride binding to human Dopamine receptor D32005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID5560Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID4066Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623
N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents.
AID452390Antagonist activity at 5HT2A receptor2009Bioorganic & medicinal chemistry, Nov-15, Volume: 17, Issue:22
ISSN: 1464-3391
Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles.
AID1079936Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]Gastroenterologie clinique et biologique, , Volume: 28, Issue:8-9
ISSN: 0399-8320
[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
AID678712Inhibition of human CYP1A2 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using ethoxyresorufin as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
ISSN: 1520-5010
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID5569In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID330555Binding affinity to leptin receptor at 10 nM2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID37370Half-maximal inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor in rat frontal cortex homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID410336Displacement of [3H]mesulergine from 5HT2C receptor in CRL:(HA) BR albino guinea pig cortex by scintillation spectrometry2009Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1
ISSN: 1520-4804
Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior.
AID694794Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr2012European journal of medicinal chemistry, Oct, Volume: 56ISSN: 1768-3254The multiobjective based design, synthesis and evaluation of the arylsulfonamide/amide derivatives of aryloxyethyl- and arylthioethyl- piperidines and pyrrolidines as a novel class of potent 5-HT₇ receptor antagonists.
AID599884Displacement of [3H]5-LSD from human 5HT6 receptor expressed in human HeLa cells2010Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18
ISSN: 1464-3405
Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles as dual serotonin 5-HT2C and 5-HT6 receptor ligands.
AID395327Dissociation constant, pKa by capillary electrophoresis2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
ISSN: 1520-4804
Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.
AID298489Displacement of [3H]paraxetine from human 5HT transporter expressed in HEK293 cells2007Journal of medicinal chemistry, Oct-18, Volume: 50, Issue:21
ISSN: 0022-2623
Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs.
AID1757457Agonist activity at muscarinic M1 receptor (unknown origin) expressed in CHO cells at 10 uM relative to control2021Bioorganic & medicinal chemistry letters, 05-15, Volume: 40ISSN: 1464-3405Identification of 2-fluoro-8-methyl-11-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5H-dibenzo[b,e][1,4]diazepine with clozapine-like mixed activities at muscarinic acetylcholine, dopamine, and serotonin receptors.
AID503306Antiproliferative activity against human PC3 cells at 2 uM after 120 hrs by MTT assay relative to DMSO2006Nature chemical biology, Jun, Volume: 2, Issue:6
ISSN: 1552-4450
Identifying off-target effects and hidden phenotypes of drugs in human cells.
AID330560Binding affinity to neuropeptide Y receptor at 100 nM2007Proceedings of the National Academy of Sciences of the United States of America, Feb-27, Volume: 104, Issue:9
ISSN: 0027-8424
From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.
AID185009Effect of compound on apomorphine induced locomotor hyperactivity (APO-induced LMA), from rat brain striatum at 3 umol/kg upon subcutaneous administration; LMA (locomotor activity) ND = not determined1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID246985Effective dose for antagonistic activity against m-chlorophenyl-piperazine induced anxiety in rats2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID1556425Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHOK1 cells incubated for 1 hr by liquid scintillation counter method2019European journal of medicinal chemistry, Oct-01, Volume: 179ISSN: 1768-32542-Aminoimidazole-based antagonists of the 5-HT
AID239010Inhibition of [125I]R91150 binding to human 5-hydroxytryptamine 2A receptor2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.
AID1677157In vivo receptor occupancy at dopamine D1 receptor in sc dosed rat brain by measuring free plasma concentration pretreated for 1 hr in presence of raclopride by LC-MS/MS analysis2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID1217704Time dependent inhibition of CYP1A2 (unknown origin) at 100 uM by LC/MS system2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID1242912Antagonist activity against 5-HT2A receptor (unknown origin) expressed in HEK293 cell membranes assessed as reduction in [35S]-GTPgammaS binding incubated for 30 mins by liquid scintillation counting method2015Bioorganic & medicinal chemistry letters, Sep-15, Volume: 25, Issue:18
ISSN: 1464-3405
Discovery of novel potent and selective ligands for 5-HT2A receptor with quinazoline scaffold.
AID25467Area under curve (AUC) value of DOPAC level after second treatment (24.8 uM/Kg) in dialysates collected from rat striatum.2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID65733In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.
AID603953In-vivo plasma to lung partition coefficients of the compound, logP(lung) in rat2008European journal of medicinal chemistry, Mar, Volume: 43, Issue:3
ISSN: 0223-5234
Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.
AID36118Binding affinity towards Alpha-1 adrenergic receptor in human cortex membranes1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623
N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents.
AID1474166Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index2016Drug discovery today, Apr, Volume: 21, Issue:4
ISSN: 1878-5832
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1169863Binding affinity to 5HT2A receptor (unknown origin)2014Journal of medicinal chemistry, Nov-26, Volume: 57, Issue:22
ISSN: 1520-4804
Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies.
AID678717Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
ISSN: 1520-5010
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1217711Metabolic activation in human liver microsomes assessed as [3H]GSH adduct formation rate measured per mg of protein at 100 uM by [3H]GSH trapping assay2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID239151Inhibition of [3H]7-OH-DPAT binding to Dopamine D3 receptor expressed in Sf9 cells2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
ISSN: 0022-2623
Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.
AID1473739Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay2013Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1
ISSN: 1096-0929
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID492639Displacement of [3H]mesulergine from 5HT2C receptor in CRL:(HA) BR albino guinea pig cortex by scintillation spectrometry2010Journal of medicinal chemistry, Jun-24, Volume: 53, Issue:12
ISSN: 1520-4804
Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.
AID1172031Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells2015Bioorganic & medicinal chemistry, Jan-01, Volume: 23, Issue:1
ISSN: 1464-3391
Antidepressant- and anxiolytic-like activity of 7-phenylpiperazinylalkyl-1,3-dimethyl-purine-2,6-dione derivatives with diversified 5-HT₁A receptor functional profile.
AID1677156Inhibition of human ERG2020Bioorganic & medicinal chemistry letters, 11-01, Volume: 30, Issue:21
ISSN: 1464-3405
AID1520006Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID1393468Antipsychotic activity in ip dosed Sprague-Dawley rat assessed as reduction in PCP-induced hyper-locomotion pretreated for 60 mins followed by PCP addition measured for 30 mins starting 15 min after rat reintroduction to auto-tracks2018European journal of medicinal chemistry, Feb-10, Volume: 145ISSN: 1768-3254
AID141174Binding affinity towards human M1 receptor.2001Journal of medicinal chemistry, Feb-15, Volume: 44, Issue:4
ISSN: 0022-2623
Current and novel approaches to the drug treatment of schizophrenia.
AID61623Binding affinity to the dopamine receptor D2L in rat brain membranes1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
ISSN: 0022-2623
N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents.
AID1217708Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system2011Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 39, Issue:7
ISSN: 1521-009X
Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites.
AID65767Half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID36199Binding affinity towards human alpha-2 adrenergic receptor2004Journal of medicinal chemistry, Mar-11, Volume: 47, Issue:6
ISSN: 0022-2623
Selective optimization of side activities: another way for drug discovery.
AID1449628Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method2012Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12
ISSN: 1521-009X
Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification.
AID65563Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate2002Journal of medicinal chemistry, Jan-17, Volume: 45, Issue:2
ISSN: 0022-2623
Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies.
AID63824pKi value for Dopamine receptor D2 binding site1998Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20
ISSN: 0022-2623
New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure.
AID1823847Anti-antidepressant like activity in Wistar rat assessed as reduction in locomotor activity by measuring total immobility time by Forced swim test2021Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17
ISSN: 1520-4804
AID1169860Binding affinity to dopamine D2 receptor (unknown origin)2014Journal of medicinal chemistry, Nov-26, Volume: 57, Issue:22
ISSN: 1520-4804
Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
ISSN: 1083-351X
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The Journal of biological chemistry, 11-15, Volume: 294, Issue:46
ISSN: 1083-351X
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346603Human 5-ht1e receptor (5-Hydroxytryptamine receptors)1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID624233Agonists at Human 5-Hydroxytryptamine receptor 5-HT1F1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID1346893Human 5-HT2C receptor (5-Hydroxytryptamine receptors)2009Journal of psychopharmacology (Oxford, England), Jan, Volume: 23, Issue:1
ISSN: 0269-8811
Asenapine: a novel psychopharmacologic agent with a unique human receptor signature.
AID1345857Rat alpha1A-adrenoceptor (Adrenoceptors)2008Psychopharmacology, Jul, Volume: 199, Issue:1
ISSN: 0033-3158
Orthostatic hypotensive effect of antipsychotic drugs in Wistar rats by in vivo and in vitro studies of alpha1-adrenoceptor function.
AID624223Antagonists at Human 5-Hydroxytryptamine receptor 5-HT2A1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID1346037Human H1 receptor (Histamine receptors)2003Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, Mar, Volume: 28, Issue:3
ISSN: 0893-133X
H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs.
AID1345235Rat 5-HT7 receptor (5-Hydroxytryptamine receptors)1996European journal of pharmacology, Dec-19, Volume: 317, Issue:2-3
ISSN: 0014-2999
Iloperidone binding to human and rat dopamine and 5-HT receptors.
AID1345170Human 5-HT6 receptor (5-Hydroxytryptamine receptors)2005Psychopharmacology, May, Volume: 179, Issue:2
ISSN: 0033-3158
Stable expression of constitutively activated mutant h5HT6 and h5HT7 serotonin receptors: inverse agonist activity of antipsychotic drugs.
AID1345615Human 5-HT1A receptor (5-Hydroxytryptamine receptors)1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID624210Agonists at Human 5-Hydroxytryptamine receptor 5-HT1A1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID1345235Rat 5-HT7 receptor (5-Hydroxytryptamine receptors)1994The Journal of pharmacology and experimental therapeutics, Mar, Volume: 268, Issue:3
ISSN: 0022-3565
Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors.
AID1346893Human 5-HT2C receptor (5-Hydroxytryptamine receptors)2003Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, Mar, Volume: 28, Issue:3
ISSN: 0893-133X
H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs.
AID1346739Human 5-HT1F receptor (5-Hydroxytryptamine receptors)1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID1345170Human 5-HT6 receptor (5-Hydroxytryptamine receptors)1996Journal of neurochemistry, Jan, Volume: 66, Issue:1
ISSN: 0022-3042
Cloning, characterization, and chromosomal localization of a human 5-HT6 serotonin receptor.
AID1345291Human 5-HT7 receptor (5-Hydroxytryptamine receptors)1998British journal of pharmacology, Jul, Volume: 124, Issue:6
ISSN: 0007-1188
Functional characterisation of the human cloned 5-HT7 receptor (long form); antagonist profile of SB-258719.
AID1259419Human 5-HT2A receptor (5-Hydroxytryptamine receptors)2003Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, Mar, Volume: 28, Issue:3
ISSN: 0893-133X
H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs.
AID1345788Human D2 receptor (Dopamine receptors)1998Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, Feb, Volume: 18, Issue:2
ISSN: 0893-133X
Do novel antipsychotics have similar pharmacological characteristics? A review of the evidence.
AID624223Antagonists at Human 5-Hydroxytryptamine receptor 5-HT2A2002European journal of pharmacology, Aug-16, Volume: 450, Issue:1
ISSN: 0014-2999
A comparison of the receptor binding and HERG channel affinities for a series of antipsychotic drugs.
AID1345920Rat alpha1D-adrenoceptor (Adrenoceptors)2008Psychopharmacology, Jul, Volume: 199, Issue:1
ISSN: 0033-3158
Orthostatic hypotensive effect of antipsychotic drugs in Wistar rats by in vivo and in vitro studies of alpha1-adrenoceptor function.
AID1345154Rat 5-HT6 receptor (5-Hydroxytryptamine receptors)1994The Journal of pharmacology and experimental therapeutics, Mar, Volume: 268, Issue:3
ISSN: 0022-3565
Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors.
AID1346037Human H1 receptor (Histamine receptors)1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID1259419Human 5-HT2A receptor (5-Hydroxytryptamine receptors)2002European journal of pharmacology, Aug-16, Volume: 450, Issue:1
ISSN: 0014-2999
A comparison of the receptor binding and HERG channel affinities for a series of antipsychotic drugs.
AID624223Antagonists at Human 5-Hydroxytryptamine receptor 5-HT2A2003Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, Mar, Volume: 28, Issue:3
ISSN: 0893-133X
H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs.
AID624230Agonists at Human 5-Hydroxytryptamine receptor 5-ht1e1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID1345615Human 5-HT1A receptor (5-Hydroxytryptamine receptors)1998European journal of pharmacology, Aug-21, Volume: 355, Issue:2-3
ISSN: 0014-2999
Agonist and antagonist actions of antipsychotic agents at 5-HT1A receptors: a [35S]GTPgammaS binding study.
AID1259419Human 5-HT2A receptor (5-Hydroxytryptamine receptors)2009Journal of psychopharmacology (Oxford, England), Jan, Volume: 23, Issue:1
ISSN: 0269-8811
Asenapine: a novel psychopharmacologic agent with a unique human receptor signature.
AID1346528Human 5-HT1D receptor (5-Hydroxytryptamine receptors)1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID1346264Human 5-HT1B receptor (5-Hydroxytryptamine receptors)1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID1346893Human 5-HT2C receptor (5-Hydroxytryptamine receptors)2000The Journal of pharmacology and experimental therapeutics, Oct, Volume: 295, Issue:1
ISSN: 0022-3565
Inverse agonist activity of atypical antipsychotic drugs at human 5-hydroxytryptamine2C receptors.
AID624210Agonists at Human 5-Hydroxytryptamine receptor 5-HT1A1998European journal of pharmacology, Aug-21, Volume: 355, Issue:2-3
ISSN: 0014-2999
Agonist and antagonist actions of antipsychotic agents at 5-HT1A receptors: a [35S]GTPgammaS binding study.
AID1259419Human 5-HT2A receptor (5-Hydroxytryptamine receptors)1996Psychopharmacology, Mar, Volume: 124, Issue:1-2
ISSN: 0033-3158
Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding.
AID1345154Rat 5-HT6 receptor (5-Hydroxytryptamine receptors)1996European journal of pharmacology, Dec-19, Volume: 317, Issue:2-3
ISSN: 0014-2999
Iloperidone binding to human and rat dopamine and 5-HT receptors.
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043
ISSN: 1095-9203
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1799301Radioligand Binding Assay (Ki) from Article 10.1016/j.bmc.2009.09.023: \\Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles.\\2009Bioorganic & medicinal chemistry, Nov-15, Volume: 17, Issue:22
ISSN: 1464-3391
Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1802951In Vitro Inhibition Assay from Article 10.3109/14756360903489581: \\Effects of some drugs on human erythrocyte glucose 6-phosphate dehydrogenase: an in vitro study.\\2010Journal of enzyme inhibition and medicinal chemistry, Dec, Volume: 25, Issue:6
ISSN: 1475-6374
Effects of some drugs on human erythrocyte glucose 6-phosphate dehydrogenase: an in vitro study.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
ISSN: 1552-454X
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2022Journal of enzyme inhibition and medicinal chemistry, Dec, Volume: 37, Issue:1
ISSN: 1475-6374
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
ISSN: 1552-454X
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.

Research

Studies (5,880)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's437 (7.43)18.2507
2000's2795 (47.53)29.6817
2010's2015 (34.27)24.3611
2020's633 (10.77)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials1,340 (21.14%)5.53%
Reviews792 (12.49%)6.00%
Case Studies1,328 (20.95%)4.05%
Observational41 (0.65%)0.25%
Other2,838 (44.77%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
chlordiazepoxidebenzodiazepine1995201417.4low001310
gyki 52466benzodiazepine00low000000
lorazepambenzodiazepine1998202313.1low80120194
cm 7116benzodiazepine00low000000
prazepambenzodiazepine2004200420.0low000100
sch 16134benzodiazepine00low000000
telenzepinebenzodiazepine00low000000
temazepambenzodiazepine00low000000
chlordesmethyldiazepambenzodiazepine00low000000
4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-onebenzodiazepine00low000000
tetrazepambenzodiazepine00low000000
ketazolambenzodiazepine00low000000
doxefazepambenzodiazepine00low000000
pinazepambenzodiazepine00low000000
metaclazepambenzodiazepine00low000000
7-aminonitrazepambenzodiazepine00low000000
n-desmethylclobazambenzodiazepine00low000000
ro 20-1815benzodiazepine00low000000
7-acetamidonitrazepambenzodiazepine00low000000
afdx 116benzodiazepine00low000000
tifluadombenzodiazepine00low000000
afdx 384benzodiazepine00low000000
aq-ra 741benzodiazepine00low000000
auranthinebenzodiazepine00low000000
7-aminoclonazepambenzodiazepine00low000000
4,7,8-Trimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-onebenzodiazepine00low000000
bms 214662benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes
antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
00low000000
11-[2-[4-(2-aminoethyl)-1-piperazinyl]-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-onebenzodiazepine00low000000
7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-onebenzodiazepine00low000000
2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepinebenzodiazepine00low000000
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-onebenzodiazepine00low000000
7,8-dimethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-phenyl-3H-1,5-benzodiazepin-2-onebenzodiazepine00low000000
l 364373benzodiazepine00low000000
cycloanthranilylprolinebenzodiazepine00low000000
4-(2-hydroxyphenyl)-8,9-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-onebenzodiazepine00low000000
2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-aminebenzodiazepine00low000000
N-[3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]benzamidebenzodiazepine00low000000
7-chloro-5-(4-fluorophenyl)-4-(1-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-onebenzodiazepine00low000000
4-methyl-1-piperazinecarbodithioic acid [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] esterbenzodiazepine00low000000
2-ethyl-4-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl esterbenzodiazepine00low000000
4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-onebenzodiazepine00low000000
7-chloro-4-[(2-fluorophenyl)-oxomethyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-onebenzodiazepine00low000000
cfm 2benzodiazepine00low000000
4,8-dimethyl-1-(phenylmethyl)-3H-1,5-benzodiazepin-2-onebenzodiazepine00low000000
gv 150013xbenzodiazepine00low000000
l 365260benzodiazepine00low000000
N-[2-[[11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-8-yl]sulfonylamino]ethyl]carbamic acid tert-butyl esterbenzodiazepine00low000000
aszonaleninbenzodiazepine;
zwitterion
00low000000
gsk525762abenzodiazepine00low000000
clozapinebenzodiazepine;
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
1992202316.7medium113017346722554
flumezapinebenzodiazepine00low000000
ro 24-7429benzodiazepine00low000000
desmethylolanzapinebenzodiazepine00low000000
hoe 33342bibenzimidazole;
N-methylpiperazine
fluorochrome00low000000
bisbenzimidazolebibenzimidazole;
N-methylpiperazine
anthelminthic drug;
fluorochrome
201520159.0low000010
diethylcarbamazineN-carbamoylpiperazine;
N-methylpiperazine
00low000000
ofloxacin3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
00low000000
perazineN-alkylpiperazine;
N-methylpiperazine;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug
2003201415.7low200640
prochlorperazineN-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
200920239.0low000131
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
00low000000
thiethylperazineN-methylpiperazine;
phenothiazines
antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
00low000000
trifluoperazineN-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
2005202212.6low300521
thioproperazineN-alkylpiperazine;
N-methylpiperazine;
phenothiazines;
sulfonamide
phenothiazine antipsychotic drug00low000000
1-methylpiperazineN-methylpiperazine00low000000
thiothixeneN-methylpiperazineanticoronaviral agent00low000000
1,1-dimethyl-4-acetylpiperaziniumN-methylpiperazine00low000000
bosutinibaminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
00low000000
amocarzineC-nitro compound;
N-methylpiperazine;
secondary amino compound;
thioureas
antinematodal drug00low000000
azd2858aromatic amine;
N-methylpiperazine;
pyrazines;
pyridines;
secondary carboxamide;
sulfonamide
antineoplastic agent;
bone density conservation agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
00low000000
saracatinibaromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
00low000000
ponatinib(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine
antineoplastic agent;
tyrosine kinase inhibitor
00low000000
asp3026aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone
antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
00low000000
entrectinibbenzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
00low000000
gilteritinibaromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
00low000000
rifampincyclic 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
201920214.0low100011
1-(1-naphthyl)piperazineN-arylpiperazine00low000000
1-(3-chlorophenyl)piperazinemonochlorobenzenes;
N-arylpiperazine
drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
00low000000
buspironeazaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines
anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
200520239.3low100231
cgs 12066N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline
serotonergic agonist00low000000
ciprofloxacinaminoquinoline;
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
1999200621.5low001100
[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(2-furanyl)methanoneN-arylpiperazine00low000000
doxazosinaromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines
alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
00low000000
enoxacin1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor
00low000000
ketoconazoledichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
2003201314.7low000120
lomefloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antimicrobial agent;
antitubercular agent;
photosensitizing agent
00low000000
ly 303511N-arylpiperazine00low000000
1-(3-trifluoromethylphenyl)piperazine(trifluoromethyl)benzenes;
N-arylpiperazine
environmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic
00low000000
nan 190N-alkylpiperazine;
N-arylpiperazine;
phthalimides
serotonergic antagonist00low000000
nefazodonearomatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles
alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
00low000000
norfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
00low000000
pipemidic acidamino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor
00low000000
piribedilN-arylpiperazine00low000000
quetiapinedibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
00low000000
n-methylquipazineaminoquinoline;
N-alkylpiperazine;
N-arylpiperazine
serotonergic agonist00low000000
gatifloxacinN-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
00low000000
trazodonemonochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine
adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
2005201811.6low000230
dimethylphenylpiperazinium iodideN-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt
nicotinic acetylcholine receptor agonist00low000000
azaperoneaminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist
00low000000
trimazosinN-arylpiperazine00low000000
pefloxacinfluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone
antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
00low000000
gepironeN-arylpiperazine00low000000
itraconazolearomatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor
201720177.0low000010
difloxacinfluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone
antibacterial drug;
Mycoplasma genitalium metabolite
00low000000
ipsapironeN-arylpiperazine00low000000
temafloxacinamino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
00low000000
sparfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
00low000000
aripiprazolearomatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
2002202310.5medium490013118756
tiodazosinN-arylpiperazine00low000000
enrofloxacincyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone
antibacterial agent;
antimicrobial agent;
antineoplastic agent
00low000000
kampironeN-arylpiperazine00low000000
tandospironebridged compound;
dicarboximide;
N-alkylpiperazine;
N-arylpiperazine;
pyrimidines
antidepressant;
anxiolytic drug
00low000000
gr 1279351,2,4-oxadiazole;
benzamides;
N-alkylpiperazine;
N-arylpiperazine
00low000000
6-chloro-2-(1-piperazinyl)pyrazineN-arylpiperazine00low000000
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanolN-arylpiperazine00low000000
perospironeN-arylpiperazine00low000000
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline
geroprotector;
serotonergic agonist
00low000000
piperaquineaminoquinoline;
N-arylpiperazine;
organochlorine compound
antimalarial00low000000
vb 20b7N-arylpiperazine00low000000
oxociprofloxacincyclopropanes;
N-arylpiperazine;
piperazinone;
quinolinemonocarboxylic acid;
quinolone
drug metabolite00low000000
bay-s 9435cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
organosulfonic acid;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
drug metabolite;
human urinary metabolite
00low000000
pitrazepinN-arylpiperazine00low000000
eptapironeN-arylpiperazine00low000000
lurasidone1,2-benzisothiazole;
bridged compound;
dicarboximide;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
00low000000
posaconazolearomatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles
trypanocidal drug00low000000
2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(3-methoxyphenyl)thiazoleN-arylpiperazine00low000000
4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholineN-arylpiperazine00low000000
2-[4-[(1-cyclopentyl-5-tetrazolyl)-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazoleN-arylpiperazine00low000000
2-furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanoneN-arylpiperazine00low000000
[4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine00low000000
[4-[2-(3-chlorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine00low000000
4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenolN-arylpiperazine00low000000
2-[4-[1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]propyl]-1-piperazinyl]-1,3-benzothiazoleN-arylpiperazine00low000000
2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester2-methoxyethyl ester;
N-arylpiperazine
00low000000
4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidineN-arylpiperazine00low000000
2-(2-furanyl)-5-[4-(phenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrileN-arylpiperazine00low000000
LSM-32568N-arylpiperazine00low000000
7-(3,4-dimethoxyphenyl)-4-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-oneN-arylpiperazine00low000000
3-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-oneN-arylpiperazine00low000000
2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidineN-arylpiperazine00low000000
4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamideN-arylpiperazine00low000000
2-furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanoneN-arylpiperazine00low000000
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanoneN-arylpiperazine00low000000
2-(3-chlorophenyl)-9-[4-(2-pyrazinyl)-1-piperazinyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolineN-arylpiperazine00low000000
2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-ethylbenzimidazoleN-arylpiperazine00low000000
N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamideN-arylpiperazine00low000000
[2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanoneN-arylpiperazine00low000000
jnj-1661010N-arylpiperazine00low000000
(5-methyl-3-isoxazolyl)[4-(5-propyl-2-pyrimidinyl)piperazino]methanoneN-arylpiperazine00low000000
N-[4-[[4-(4-acetamidoanilino)-6-(4-ethyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamideN-arylpiperazine00low000000
4-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid ethyl esterN-arylpiperazine00low000000
dapiprazoleN-alkylpiperazine;
N-arylpiperazine;
pyridines
alpha-adrenergic antagonist;
antipsychotic agent;
miotic;
ophthalmology drug
00low000000
tandutinibaromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
00low000000
dasatinib1,3-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
00low000000
CID 3192987N-arylpiperazineanticoronaviral agent00low000000
[4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine00low000000
4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-phenylethyl)-5-tetrazolyl]methyl]phenolN-arylpiperazine00low000000
N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamideN-arylpiperazine00low000000
[4-[5-tert-butyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine00low000000
[5-[(2-methylphenyl)sulfonylmethyl]-2-furanyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanoneN-arylpiperazine00low000000
2-furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanoneN-arylpiperazine00low000000
N4-(3,4-dimethylphenyl)-2-(4-ethyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamineN-arylpiperazine00low000000
brl 15572monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol
geroprotector;
serotonergic antagonist
00low000000
5-tert-butyl-7-(4-ethyl-1-piperazinyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidineN-arylpiperazine00low000000
(4-chlorophenyl)-[4-(8-nitro-5-quinolinyl)-1-piperazinyl]methanoneN-arylpiperazine00low000000
3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(phenylmethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidineN-arylpiperazine00low000000
3-(4-chlorophenyl)-6-(4-methyl-1-piperazinyl)-1H-pyrimidine-2,4-dioneN-arylpiperazine00low000000
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-[4-(phenylmethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidineN-arylpiperazine00low000000
3-[[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-oneN-arylpiperazine00low000000
1-(2-phenylethyl)-4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-2,6-dioneN-arylpiperazine00low000000
vx680N-arylpiperazine00low000000
netupitantaminopyridine;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
toluenes
antiemetic;
neurokinin-1 receptor antagonist
00low000000
[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanoneN-arylpiperazine00low000000
flibanserinbenzimidazoles;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound
antidepressant;
serotonergic agonist;
serotonergic antagonist
00low000000
vilazodone1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile
antidepressant;
serotonergic agonist;
serotonin uptake inhibitor
00low000000
6-hydroxybuspironeN-arylpiperazine00low000000
vortioxetinearyl sulfide;
N-arylpiperazine
antidepressant;
anxiolytic drug;
serotonergic agonist;
serotonergic antagonist
00low000000
sotrastaurinindoles;
maleimides;
N-alkylpiperazine;
N-arylpiperazine;
quinazolines
anticoronaviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunosuppressive agent
00low000000
PDGF receptor tyrosine kinase inhibitor IIIaromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor00low000000
abt-737aromatic 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
00low000000
mp470N-arylpiperazine00low000000
bgt226aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
00low000000
brexpiprazoleN-arylpiperazine00low000000
2-(2,5-difluorophenyl)-5-methyl-4-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]oxazoleN-arylpiperazine00low000000
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[4-(4-quinazolinyl)-1-piperazinyl]methyl]oxazoleN-arylpiperazine00low000000
tg101209N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
00low000000
gdc-0068N-arylpiperazine00low000000
sch772984biaryl;
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
00low000000
3-furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanoneN-arylpiperazine00low000000
4-[5-oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]benzoic acidN-arylpiperazine00low000000
2-ethyl-6-fluoro-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-oneN-arylpiperazine00low000000
aripiprazole lauroxilaromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist
00low000000
torin 1N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines
antineoplastic agent;
mTOR inhibitor
00low000000
abt-199aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
00low000000
azd4547benzamides;
N-arylpiperazine;
pyrazoles
fibroblast growth factor receptor antagonist00low000000
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylureaaminopyrimidine;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas
antineoplastic agent;
fibroblast growth factor receptor antagonist
00low000000
4-[4-(5,5-dimethyl-4H-thiazol-2-yl)-1-piperazinyl]-6-propylthieno[2,3-d]pyrimidineN-arylpiperazine;
thienopyrimidine
00low000000
gsk343aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
00low000000
hg-9-91-01aminopyrimidine;
dimethoxybenzene;
N-alkylpiperazine;
N-arylpiperazine;
phenylureas;
secondary amino compound
antineoplastic agent;
salt-inducible kinase 2 inhibitor
00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
chlorpheniraminemonochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
201720177.0low000010
clemizolebenzimidazoles;
monochlorobenzenes;
pyrrolidines
histamine antagonist00low000000
doxylaminepyridines;
tertiary amine
anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
00low000000
epinastinebenzazepine;
guanidines
anti-allergic agent;
H1-receptor antagonist;
histamine antagonist;
ophthalmology drug
00low000000
profenaminephenothiazines;
tertiary amino compound
adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
00low000000
methixenepiperidines;
thioxanthenes
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
00low000000
mirtazapinebenzazepine;
tetracyclic antidepressant
alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
2001202314.1low5002183
propiomazinearomatic ketone;
phenothiazines;
tertiary amino compound
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist
00low000000
quetiapinedibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
00low000000
thiethylperazineN-methylpiperazine;
phenothiazines
antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
00low000000
buclizinemonochlorobenzenes;
N-alkylpiperazine
antiemetic;
central nervous system depressant;
cholinergic antagonist;
histamine antagonist;
local anaesthetic
00low000000
methdilazineN-alkylpyrrolidine;
phenothiazines
antipruritic drug;
cholinergic antagonist;
histamine antagonist
00low000000
pizotylinebenzocycloheptathiophenehistamine antagonist;
muscarinic antagonist;
serotonergic antagonist
00low000000
ziprasidone1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines
antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
00low000000
cubebinbenzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol
analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug
00low000000
profenamine hydrochloridehydrochlorideadrenergic antagonist;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
00low000000
cinnarizinediarylmethane;
N-alkylpiperazine;
olefinic compound
anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
00low000000
quercetin 3-o-glucopyranosidebeta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone
antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
00low000000
demethylmirtazapinebenzazepine;
tetracyclic antidepressant
alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
human xenobiotic metabolite;
serotonergic antagonist
00low000000
clozapinebenzodiazepine;
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
1992202316.7medium113017346722554
4-diphenylacetoxy-1,1-dimethylpiperidiniumquaternary ammonium ioncholinergic antagonist;
muscarinic antagonist
00low000000
benzquinamidemonocarboxylic acid amideantiemetic;
antipsychotic agent;
H1-receptor antagonist;
muscarinic antagonist;
sedative
00low000000
biperidenpiperidines;
tertiary alcohol;
tertiary amino compound
antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
1998202213.7low101221
bromodiphenhydramineorganobromine compound;
tertiary amino compound
antimicrobial agent;
H1-receptor antagonist;
muscarinic antagonist
00low000000
carbinoxaminemonochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
00low000000
cyclopentolatecarboxylic ester;
tertiary alcohol;
tertiary amino compound
diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic
00low000000
cycriminepiperidines;
tertiary alcohol;
tertiary amino compound
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
00low000000
dicyclominecarboxylic ester;
tertiary amine
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
00low000000
diphenhydramineether;
tertiary amino compound
anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
2000201916.7low001110
flavoxatecarboxylic ester;
flavones;
piperidines;
tertiary amino compound
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
00low000000
methoctraminearomatic ether;
tetramine
muscarinic antagonist00low000000
orphenadrineether;
tertiary amino compound
antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
00low000000
oxybutyninacetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound
antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
201220227.0low000021
pirenzepinepyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
1992202023.4high302061871770
procyclidinepyrrolidines;
tertiary alcohol
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
00low000000
promazinephenothiazines;
tertiary amine
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
2004200917.0low100300
diphemanil methylsulfatepiperidines;
quaternary ammonium salt
bronchodilator agent;
muscarinic antagonist;
parasympatholytic
00low000000
diphenhydramine hydrochloridehydrochloride;
organoammonium salt
anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
00low000000
orphenadrine hydrochloridehydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
00low000000
tridihexethylquaternary ammonium ion;
tertiary alcohol
anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
00low000000
clemastinemonochlorobenzenes;
N-alkylpyrrolidine
anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
00low000000
tramadol2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
2002200222.0low000100
tramadol hydrochloridehydrochlorideadrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
00low000000
propyromazineorganic bromide salt;
quaternary ammonium salt
antispasmodic drug;
muscarinic antagonist
00low000000
tiquizium bromideorganic bromide salt;
quaternary ammonium salt
anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
00low000000
orphenadrine citratecitrate saltH1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
00low000000
biperiden hydrochloridehydrochloride;
piperidines;
tertiary alcohol
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
00low000000
methoctraminehydrochloridemuscarinic antagonist00low000000
nsc 23766aminopyrimidine;
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
00low000000
quinidinecinchona 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
00low000000
dicyclomine hydrochloridehydrochlorideantispasmodic drug;
muscarinic antagonist
00low000000
flavoxate hydrochloridehydrochlorideantispasmodic drug;
muscarinic antagonist;
parasympatholytic
00low000000
tolterodinetertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
00low000000
darifenacin hydrobromidehydrobromidemuscarinic antagonist00low000000
darifenacin1-benzofurans;
monocarboxylic acid amide;
pyrrolidines
antispasmodic drug;
muscarinic antagonist
00low000000
4-diphenylacetoxy-n-methylpiperidine methiodideiodide salt;
quaternary ammonium salt
cholinergic antagonist;
muscarinic antagonist
00low000000
clemastine fumaratefumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
00low000000
carbinoxamine maleatemaleate saltanti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
00low000000
himbacinegamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid
muscarinic antagonist00low000000
aclidinium bromideorganic bromide salt;
quaternary ammonium salt
bronchodilator agent;
muscarinic antagonist
00low000000
nsc 23766hydrochlorideantiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
00low000000
octotropine methylbromideorganic bromide salt;
quaternary ammonium salt
anti-ulcer drug;
muscarinic antagonist;
parasympatholytic
00low000000
(S)-carbinoxamine maleatecarbinoxamine maleateanti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
00low000000
8-hydroxy-2-(di-n-propylamino)tetralinphenols;
tertiary amino compound;
tetralins
serotonergic antagonist1999200919.0low001500
alosetronimidazoles;
pyridoindole
antiemetic;
gastrointestinal drug;
serotonergic antagonist
00low000000
clomipraminedibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
1998202016.5low204870
cyproheptadinepiperidines;
tertiary amine
anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
2003201910.7low100120
haloperidolaromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
1995202416.2low21209144620536
ketanserinaromatic ketone;
organofluorine compound;
piperidines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
1999202315.4low001301
methiothepinaryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist
00low000000
mianserindibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
1999202316.2low5012461
nan 190N-alkylpiperazine;
N-arylpiperazine;
phthalimides
serotonergic antagonist00low000000
nefazodonearomatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles
alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
00low000000
oxatomidebenzimidazoles;
diarylmethane;
N-alkylpiperazine
anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
00low000000
pindololindoles;
secondary amine
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
00low000000
pipamperonearomatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
00low000000
risperidone1,2-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
1995202415.6high361015684743582
ritanserinorganofluorine compound;
piperidines;
thiazolopyrimidine
antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
1997200025.3low003000
setiptilinetertiary amino compound;
tetracyclic antidepressant
alpha-adrenergic antagonist;
serotonergic antagonist
00low000000
spiperonearomatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound
alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
2004200619.0low100200
thioridazinephenothiazines;
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
1996201719.4low2011520
gramineaminoalkylindole;
indole alkaloid;
tertiary amino compound
antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
00low000000
yohimbinemethyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
2003200321.0low000100
clopenthixolN-alkylpiperazine;
primary alcohol;
thioxanthenes
alpha-adrenergic antagonist;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
1998202213.5low1021044
pimozidebenzimidazoles;
heteroarylpiperidine;
organofluorine compound
antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
1999202217.8low103711
metergolinecarbamate ester;
ergoline alkaloid
dopamine agonist;
geroprotector;
serotonergic antagonist
1999199925.0low001000
dotarizinecyclic ketal;
dioxolane;
N-alkylpiperazine
calcium channel blocker;
serotonergic antagonist;
vasodilator agent
00low000000
sertindoleheteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole
alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
00low000000
alosetron hydrochloridehydrochlorideantiemetic;
serotonergic antagonist
00low000000
spiramidearomatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound
dopaminergic antagonist;
serotonergic antagonist
00low000000
clomipramine hydrochloridehydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug
00low000000
mesulergineergot alkaloid;
sulfamides
antiparkinson drug;
dopamine agonist;
serotonergic antagonist
00low000000
hp 8731,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
00low000000
methotrimeprazinephenothiazines;
tertiary amine
anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
1999202213.1low102342
amperozidediarylmethane;
monofluorobenzenes;
N-alkylpiperazine;
secondary carboxamide;
ureas
anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
00low000000
amperozide hydrochloridehydrochlorideanxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
00low000000
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazinehydrobromideserotonergic antagonist00low000000
gr 113808indolyl carboxylate ester;
piperidines;
sulfonamide
serotonergic antagonist00low000000
fk 1052imidazoles;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
00low000000
lurasidone1,2-benzisothiazole;
bridged compound;
dicarboximide;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
00low000000
picrotoxininepoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol
GABA antagonist;
plant metabolite;
serotonergic antagonist
00low000000
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea1,2-thiazoles;
indoles;
ureas
receptor modulator;
serotonergic antagonist
00low000000
sb-2242891,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound
serotonergic antagonist00low000000
brl 15572monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol
geroprotector;
serotonergic antagonist
00low000000
LY-310762aromatic ketone;
monofluorobenzenes;
oxindoles;
piperidines;
tertiary amino compound
receptor modulator;
serotonergic antagonist
00low000000
ly 367265dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline
antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor
00low000000
zuclopenthixolclopenthixolalpha-adrenergic antagonist;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
00low000000
palonosetronazabicycloalkane;
delta-lactam;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
200620238.8low11005142
1-methyl-d-lysergic acid butanolamideergot alkaloid;
monocarboxylic acid amide
serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
00low000000
flibanserinbenzimidazoles;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound
antidepressant;
serotonergic agonist;
serotonergic antagonist
00low000000
rs 25259-197hydrochlorideantiemetic;
serotonergic antagonist
00low000000
vortioxetinearyl sulfide;
N-arylpiperazine
antidepressant;
anxiolytic drug;
serotonergic agonist;
serotonergic antagonist
00low000000
pimavanserinaromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas
5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist
00low000000
lurasidone hydrochloridehydrochlorideadrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
201120236.3low7000227
GR 127935 hydrochloridehydrochlorideserotonergic antagonist00low000000
pipamperone dihydrochloridehydrochloridedopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
00low000000
brl 15572hydrochlorideprodrug;
serotonergic antagonist
00low000000
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-onehydrochloridereceptor modulator;
serotonergic antagonist
00low000000
rs 39604hydrochlorideserotonergic antagonist00low000000
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid11-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid
antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist
00low000000
norclozapinedibenzodiazepine;
organochlorine compound;
piperazines
delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
00low000000
amoxapinedibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
1999201517.0low001010
chlorpromazineorganochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
1997202315.9low90745213
domperidonebenzimidazoles;
heteroarylpiperidine
antiemetic;
dopaminergic antagonist
201520216.0low000011
droperidolaromatic ketone;
benzimidazoles;
organofluorine compound
anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
200820237.2low5001103
fenoldopambenzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
00low000000
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
1998202216.3low6012052
fluphenazine depotdecanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug
00low000000
loxapinedibenzooxazepineantipsychotic agent;
dopaminergic antagonist
1997202115.7low203151
mesoridazinephenothiazines;
sulfoxide;
tertiary amino compound
dopaminergic antagonist;
first generation antipsychotic
00low000000
metoclopramidebenzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound
antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
200720236.3low200172
perazineN-alkylpiperazine;
N-methylpiperazine;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug
2003201415.7low200640
perphenazineN-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
1998202413.8low250226183
prochlorperazineN-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
200920239.0low000131
7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-olbenzazepine;
organochlorine compound;
tertiary amino compound
dopaminergic antagonist00low000000
sulpiridebenzamides;
N-alkylpyrrolidine;
sulfonamide
antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
1998202215.6low240880481
trifluoperazineN-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
2005202212.6low300521
triflupromazineorganofluorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
00low000000
thiopropazateacetate ester;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug
00low000000
azaperoneaminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist
00low000000
serentilorganosulfonate saltdopaminergic antagonist;
first generation antipsychotic
00low000000
butaclamolamino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound
dopaminergic antagonist00low000000
tetrahydropalmatinean (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound
adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
00low000000
aj 76secondary amino compound;
tetralins
dopaminergic antagonist00low000000
levosulpiridesulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
00low000000
nafadotridearomatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound
dopaminergic antagonist00low000000
flupenthixolflupenthixoldopaminergic antagonist00low000000
diphenidolbenzenes;
piperidines;
tertiary alcohol
antiemetic00low000000
promethazinephenothiazines;
tertiary amine
anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
2007202310.8low200442
propofolphenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
2008201213.7low100120
trimethobenzamidebenzamides;
tertiary amino compound
antiemetic00low000000
promethazine hydrochloridehydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
00low000000
cyclizineN-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
00low000000
methylprednisolone6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
200320208.3low000150
zingeronemethyl ketone;
monomethoxybenzene;
phenols
anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent
00low000000
pachypodoldihydroxyflavone;
trimethoxyflavone
antiemetic;
plant metabolite
00low000000
cyclizine hydrochloridehydrochlorideantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist
00low000000
netupitantaminopyridine;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
toluenes
antiemetic;
neurokinin-1 receptor antagonist
00low000000
rolapitantazaspiro compound;
ether;
organofluorine compound;
piperidines;
pyrrolidin-2-ones
antiemetic;
neurokinin-1 receptor antagonist
00low000000
aprepitant(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles
antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
200520237.6low16004213
fosaprepitant(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles
antiemetic;
neurokinin-1 receptor antagonist;
prodrug
00low000000
dan 2163aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone
environmental contaminant;
second generation antipsychotic;
xenobiotic
1999202312.5medium2906626213
zotepinedibenzothiepine;
tertiary amino compound
alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
00low000000
aripiprazolearomatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
2002202310.5medium490013118756
aripiprazole lauroxilaromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist
00low000000
desipraminedibenzoazepine;
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
1999201018.0low001300
fenfluramine(trifluoromethyl)benzenes;
secondary amino compound
appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
2002200222.0low000100
minaprinemorpholines;
pyridazines;
secondary amine
antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake inhibitor
00low000000
sibutramineorganochlorine compound;
tertiary amino compound
anti-obesity agent;
serotonin uptake inhibitor
00low000000
trazodonemonochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine
adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
2005201811.6low000230
venlafaxinecyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound
adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
00low000000
paroxetinearomatic ether;
benzodioxoles;
organofluorine compound;
piperidines
antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
2000201917.4low9012850
paroxetine hydrochloridehydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
00low000000
trazodone hydrochloridehydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
00low000000
sertraline hydrochloridehydrochlorideantidepressant;
serotonin uptake inhibitor
00low000000
dexfenfluramine hydrochloridefenfluramine hydrochlorideappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
00low000000
dexfenfluraminefenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
00low000000
sertralinedichlorobenzene;
secondary amino compound;
tetralins
antidepressant;
serotonin uptake inhibitor
1999202312.0low250217215
cocainebenzoate 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
1997201318.2low102520
fluoxetineN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineantidepressant;
serotonin uptake inhibitor
00low000000
(R)-fluoxetineN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineantidepressant;
serotonin uptake inhibitor
00low000000
noribogainemonoterpenoid indole alkaloid;
organic heteropentacyclic compound;
secondary amino compound;
tertiary amino compound
kappa-opioid receptor agonist;
NMDA receptor antagonist;
psychotropic drug;
serotonin uptake inhibitor
00low000000
fluvoxamine(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime
antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
1999202318.8low5021711
paroxetine maleatemaleate saltantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
00low000000
vilazodone hydrochloridehydrochlorideantidepressant;
serotonergic agonist;
serotonin uptake inhibitor
00low000000
vilazodone1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile
antidepressant;
serotonergic agonist;
serotonin uptake inhibitor
00low000000
(R)-fluoxetine hydrochloridehydrochlorideantidepressant;
serotonin uptake inhibitor
00low000000
(S)-fluoxetine hydrochloridehydrochlorideantidepressant;
serotonin uptake inhibitor
00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
quetiapinedibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
00low000000
thiethylperazineN-methylpiperazine;
phenothiazines
antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
00low000000
clozapinebenzodiazepine;
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
1992202316.7medium113017346722554
nan 190N-alkylpiperazine;
N-arylpiperazine;
phthalimides
serotonergic antagonist00low000000
nefazodonearomatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles
alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
00low000000
lurasidone1,2-benzisothiazole;
bridged compound;
dicarboximide;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
00low000000
brl 15572monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol
geroprotector;
serotonergic antagonist
00low000000
flibanserinbenzimidazoles;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound
antidepressant;
serotonergic agonist;
serotonergic antagonist
00low000000
vortioxetinearyl sulfide;
N-arylpiperazine
antidepressant;
anxiolytic drug;
serotonergic agonist;
serotonergic antagonist
00low000000
perazineN-alkylpiperazine;
N-methylpiperazine;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug
2003201415.7low200640
prochlorperazineN-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
200920239.0low000131
trifluoperazineN-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
2005202212.6low300521
azaperoneaminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist
00low000000
netupitantaminopyridine;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
toluenes
antiemetic;
neurokinin-1 receptor antagonist
00low000000
aripiprazolearomatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
2002202310.5medium490013118756
aripiprazole lauroxilaromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist
00low000000
trazodonemonochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine
adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
2005201811.6low000230
vilazodone1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile
antidepressant;
serotonergic agonist;
serotonin uptake inhibitor
00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-aminobutyric acidamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid
human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
2014201410.0low000010
acetic acidmonocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
2010201412.0low000110
acetamideacetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia
2010201014.0low000100
acetoneketone body;
methyl ketone;
propanones;
volatile organic compound
EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
2008200816.0low000100
adenine6-aminopurines;
purine nucleobase
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2008201214.0low000210
allantoinimidazolidine-2,4-dione;
ureas
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary
2010201014.0low000100
quinacrineacridines;
aromatic ether;
organochlorine compound;
tertiary amino compound
antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
2008201214.0low000210
beta-alanineamino acid zwitterion;
beta-amino acid
agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter
2014201410.0low000010
benzenearomatic annulene;
benzenes;
volatile organic compound
carcinogenic agent;
environmental contaminant;
non-polar solvent
2008200816.0low000100
benzoic acidbenzoic 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
2014201410.0low000010
benzyl alcoholbenzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
2008200816.0low000100
betaineamino-acid betaine;
glycine derivative
fundamental metabolite2008201612.5low000220
carbon monoxidecarbon oxide;
gas molecular entity;
one-carbon compound
biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent
2008200816.0low000100
formic acidmonocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
2014201410.0low000010
carnitineamino-acid betainehuman metabolite;
mouse metabolite
2010201213.0low000110
citric acid, anhydroustricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
2010201014.0low000100
coumarincoumarinsfluorescent dye;
human metabolite;
plant metabolite
2000201216.0low001020
salicylic acidmonohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
2000201416.0low001210
gallic acidtrihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
2014201410.0low000010
bupropionaromatic ketone;
monochlorobenzenes;
secondary amino compound
antidepressant;
environmental contaminant;
xenobiotic
2004201613.3low000430
guaiacolguaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
2012201212.0low000010
aminocaproic acidamino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid
antifibrinolytic drug;
hematologic agent;
metabolite
2004201614.0low000210
creatineglycine derivative;
guanidines;
zwitterion
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
2010201014.0low000100
lactic acid2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
2008201015.0low000200
dimethyl sulfoxidesulfoxide;
volatile organic compound
alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
2010201014.0low000100
formaldehydealdehyde;
one-carbon compound
allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2010201014.0low000100
glycinealpha-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
2008201413.0low000220
glycerolalditol;
triol
algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
2008201015.0low000200
alpha-glycerophosphoric acidglycerol monophosphatealgal metabolite;
human metabolite
2008200816.0low000100
histaminearalkylamino compound;
imidazoles
human metabolite;
mouse metabolite;
neurotransmitter
2008201412.7low000120
hydroquinonebenzenediol;
hydroquinones
antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
2008201015.0low000200
dihydroxyphenylalaninehydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative
human metabolite2014201410.0low000010
methanolalkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound
amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
2008200816.0low000100
inositolcyclitol;
hexol
2008201015.0low000200
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
2013201311.0low000010
acetanilideacetamides;
anilide
analgesic2012201212.0low000010
niacinamidepyridine alkaloid;
pyridinecarboxamide;
vitamin B3
anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
2010201014.0low000100
niacinpyridine 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
2008201612.0low000230
3-(1-methylpyrrolidin-2-yl)pyridineN-alkylpyrrolidine;
pyridine alkaloid;
pyrrolidine alkaloid
2011201113.0low000010
nitrous oxidegas molecular entity;
nitrogen oxide
analgesic;
bacterial metabolite;
food packaging gas;
food propellant;
general anaesthetic;
greenhouse gas;
inhalation anaesthetic;
NMDA receptor antagonist;
raising agent;
refrigerant;
vasodilator agent
2008200816.0low000100
orotic acidpyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
2010201014.0low000100
4-aminobenzoic acidaminobenzoic acid;
aromatic amino-acid zwitterion
allergen;
Escherichia coli metabolite;
plant metabolite
2010201412.0low000110
phenolphenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
2010201014.0low000100
phenylacetic acidbenzenes;
monocarboxylic acid;
phenylacetic acids
allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
2010201014.0low000100
picolinic acidpyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
2014201410.0low000010
1-propanolpropan-1-ols;
short-chain primary fatty alcohol
metabolite;
protic solvent
2008200816.0low000100
propionic acidsaturated fatty acid;
short-chain fatty acid
antifungal drug2014201410.0low000010
pyrazinamidemonocarboxylic acid amide;
N-acylammonia;
pyrazines
antitubercular agent;
prodrug
2010201611.2low000130
pyridoxal phosphatemethylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate
coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2010201014.0low000100
pyridoxamineaminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6
Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
2014201410.0low000010
pyridoxinehydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6
cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2010201611.3low000120
succinic acidalpha,omega-dicarboxylic acid;
C4-dicarboxylic acid
anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
2008200816.0low000100
thiamineprimary alcohol;
vitamin B1
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2010201611.0low000110
toluenemethylbenzene;
toluenes;
volatile organic compound
cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
2008200816.0low000100
trimethylaminemethylamines;
tertiary amine
Escherichia coli metabolite;
human xenobiotic metabolite
2014201410.0low000010
tryptophanalpha-amino acid;
amino acid zwitterion;
aminoalkylindole;
aromatic amino acid;
polar amino acid
Daphnia magna metabolite2014201410.0medium000010
uracilpyrimidine nucleobase;
pyrimidone
allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
2010201014.0low000100
ureaisourea;
monocarboxylic acid amide;
one-carbon compound
Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2010201014.0low000100
catechinhydroxyflavan2010201014.0low000100
8-hydroxy-2-(di-n-propylamino)tetralinphenols;
tertiary amino compound;
tetralins
serotonergic antagonist1998201915.2low002030
4-iodo-2,5-dimethoxyphenylisopropylamineamphetamines;
dimethoxybenzene;
organoiodine compound
2009200915.0low000100
octoclothepinedibenzothiepine2002200520.5low000200
mentholp-menthane monoterpenoid;
secondary alcohol
volatile oil component2010201014.0low000100
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoatecatechin2011201113.0medium000010
1-(3-chlorophenyl)piperazinemonochlorobenzenes;
N-arylpiperazine
drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
2009201313.0low000110
2,4-dichlorophenoxyacetic acidchlorophenoxyacetic acid;
dichlorobenzene
agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
2014201410.0low000010
enprofyllineoxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
2012201212.0low000010
4-aminopyridineaminopyridine;
aromatic amine
avicide;
orphan drug;
potassium channel blocker
2011201113.0low000010
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
2000201614.9low001440
5-carboxamidotryptaminetryptamines1996201620.6low003110
5-methoxytryptaminearomatic ether;
primary amino compound;
tryptamines
5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist
1996200523.5low001100
oxyquinolinemonohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
2012201212.0low000010
tacrineacridines;
aromatic amine
EC 3.1.1.7 (acetylcholinesterase) inhibitor2000201414.6low001350
acebutololaromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
2000201615.3low001420
acetaminophenacetamides;
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
2000201614.9low001450
acetarsolacetamides;
anilide
2012201212.0low000010
acetazolamidemonocarboxylic acid amide;
sulfonamide;
thiadiazoles
anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2010201611.0low000120
acetohexamideacetophenones;
N-sulfonylurea
hypoglycemic agent;
insulin secretagogue
2010201014.0low000100
acetohydroxamic acidacetohydroxamic acids;
carbohydroximic acid
algal metabolite;
EC 3.5.1.5 (urease) inhibitor
2004201614.0low000210
methacholineacetate ester;
quaternary ammonium ion
bronchoconstrictor agent;
cholinergic agonist;
epitope;
muscarinic agonist;
vasodilator agent
2008200816.0low000100
ethacridineacridines2012201212.0low000010
4-(acetylamino)benzeneacetic acidacetamides;
anilide
2012201212.0low000010
adipheninediarylmethane2012201212.0low000010
ag-1296quinoxaline derivative2006200618.0low000100
aklomidecarbonyl compound;
organohalogen compound
2012201212.0low000010
alaproclatealpha-amino acid ester201620168.0low000010
albendazolearyl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
2008201612.2low000220
albuterolphenols;
phenylethanolamines;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
2000201615.3low001330
alendronate1,1-bis(phosphonic acid);
primary amino compound
bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
2004201614.0low000110
alfuzosinmonocarboxylic acid amide;
quinazolines;
tetrahydrofuranol
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
2010201611.0low000110
alosetronimidazoles;
pyridoindole
antiemetic;
gastrointestinal drug;
serotonergic antagonist
2003201615.8low000410
alprazolamorganochlorine compound;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
2000201616.4low001310
alprenololsecondary alcohol;
secondary amino compound
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
2000201415.0low001120
altretaminetriamino-1,3,5-triazine2004201613.3low000120
amantadineadamantanes;
primary aliphatic amine
analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
2000201615.3low001420
ambenoniumquaternary ammonium ionEC 3.1.1.8 (cholinesterase) inhibitor201620168.0medium000010
ambroxolaromatic amine2008201015.0low000200
diatrizoic acidacetamides;
benzoic acids;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
201320169.5low000020
amifostine anhydrousdiamine;
organic thiophosphate
antioxidant;
prodrug;
radiation protective agent
2004201614.0low000110
aminoglutethimidedicarboximide;
piperidones;
substituted aniline
adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
2004201315.2low000420
pimagedineguanidines;
one-carbon compound
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor
2010201014.0low000100
p-aminohippuric acidN-acylglycineDaphnia magna metabolite2012201610.0low000020
theophyllinedimethylxanthineadenosine 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
2000201615.0low001330
amiodarone1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound
cardiovascular drug2000201615.1low001660
dan 2163aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone
environmental contaminant;
second generation antipsychotic;
xenobiotic
2007201413.0low000220
amitriptylinecarbotricyclic compound;
tertiary amine
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
1996201616.5low002750
amlexanoxmonocarboxylic acid;
pyridochromene
anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
2004201315.5low000110
amlodipinedihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2000201613.8low001260
amobarbitalbarbiturates2000201019.0low001100
amodiaquineaminoquinoline;
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
2011201212.5low000020
amoxapinedibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
1994201616.8low002240
amproliumpyridinium ioncoccidiostat2012201212.0low000010
amsacrineacridines;
aromatic ether;
sulfonamide
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2008201313.2low000230
anastrozolenitrile;
triazoles
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
2004201613.2low000220
anethole trithionemethoxybenzenes2010201014.0low000100
aniracetamN-acylpyrrolidine;
pyrrolidin-2-ones
2010201014.0low000100
antazolinearomatic amine;
imidazolines;
tertiary amino compound
cholinergic antagonist;
H1-receptor antagonist;
xenobiotic
2008201214.0low000110
anthralinanthracenesantipsoriatic2010201312.5low000110
antipyrinepyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
2012201311.5low000020
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diolaporphine alkaloid2011201212.5medium000020
apraclonidinedichlorobenzene;
guanidines;
imidazolines
alpha-adrenergic agonist;
antiglaucoma drug;
beta-adrenergic agonist;
diagnostic agent;
ophthalmology drug
2004200420.0low000100
arecolineenoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine
metabolite;
muscarinic agonist
2012201411.0low000020
aspirinbenzoic 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
2000201614.1low001240
astemizolebenzimidazoles;
piperidines
anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
2003202014.5low000440
atenololethanolamines;
monocarboxylic acid amide;
propanolamine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
2000201614.7low001330
azathioprinearyl sulfide;
C-nitro compound;
imidazoles;
thiopurine
antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
2004201612.8low000240
azelaic acidalpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
2004200420.0low000100
azelastinemonochlorobenzenes;
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
2004201415.0low000110
baclofenamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound
central nervous system depressant;
GABA agonist;
muscle relaxant
2004201613.2low000220
barbitalbarbituratesdrug allergen2008201015.3low000300
bendazacindazoles;
monocarboxylic acid
non-steroidal anti-inflammatory drug;
radical scavenger
2010201611.0low000110
bendroflumethiazidebenzothiadiazine;
sulfonamide
antihypertensive agent;
diuretic
2008201612.0low000120
benserazidecarbohydrazide;
catechols;
primary alcohol;
primary amino compound
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
2012201212.0low000010
benzamidebenzamides2008200816.0low000100
benzbromarone1-benzofurans;
aromatic ketone
uricosuric drug2010201611.6low000140
benzocainebenzoate ester;
substituted aniline
allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
2009201312.7low000120
benzquinamidemonocarboxylic acid amideantiemetic;
antipsychotic agent;
H1-receptor antagonist;
muscarinic antagonist;
sedative
2008200816.0low000100
benzothiazidebenzothiadiazine;
sulfonamide
antihypertensive agent;
diuretic
2012201212.0low000010
bepridilpyrrolidines;
tertiary amine
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2000201217.6low001520
berberinealkaloid 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
2011201113.0low000010
bethanidineguanidinesadrenergic antagonist;
antihypertensive agent
2008200816.0low000100
betaxololpropanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
2000201615.1low001330
bethanecholcarbamate ester;
quaternary ammonium ion
muscarinic agonist2012201610.0low000020
bevantololpropanolamineanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
calcium channel blocker
2000200024.0low001000
bicalutamide(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
2004201614.2low000320
bay h 4502biphenyls;
imidazoles
2009201313.3low000210
biperidenpiperidines;
tertiary alcohol;
tertiary amino compound
antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
2008201612.0low000110
bisacodyldiarylmethane2008201611.8low000130
bisindolylmaleimide i2011201113.0low000010
bisoprololsecondary alcohol;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
2000201615.3low001320
bretyliumquaternary ammonium ionadrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
2012201212.0low000010
brimonidineimidazoles;
quinoxaline derivative;
secondary amine
adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
2004200420.0low000100
bromazepamorganic molecular entity2010201014.0low000100
bromhexineorganobromine compound;
substituted aniline;
tertiary amino compound
mucolytic2008201214.0low000110
bromopridebenzamides2013201311.0low000010
bromisovalumN-acylurea;
organobromine compound
2010201014.0low000100
seratrodastorganic molecular entity2012201212.0low000010
bronopolnitro compound2013201311.0low000010
brotizolamorganic molecular entity2000201019.0low001100
bumetanideamino acid;
benzoic acids;
sulfonamide
diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
2000201614.1low001240
bunitrololaromatic ether2008200816.0low000100
bupivacainearomatic amide;
piperidinecarboxamide;
tertiary amino compound
2010201014.0low000200
bupranololaromatic ether2008200816.0low000100
buspironeazaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines
anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
1998201911.7low0016120
busulfanmethanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
2004201612.8low000240
secbutabarbitalbarbiturates201620168.0low000010
butacainebenzoate ester2012201212.0low000010
butalbitalbarbituratesanalgesic;
sedative
2008201015.0low000200
butambenamino acid ester;
benzoate ester;
primary amino compound;
substituted aniline
local anaesthetic2012201212.0low000010
butenafinenaphthalenes;
tertiary amine
antifungal drug;
EC 1.14.13.132 (squalene monooxygenase) inhibitor
2004200420.0low000100
caffeinepurine 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
2000201614.2low001460
verapamilaromatic ether;
nitrile;
polyether;
tertiary amino compound
2000201615.1low001760
metrizoatemonocarboxylic acidradioopaque medium2008200816.0low000100
camostatbenzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide
anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
202020204.0low000010
candesartan cilexetilbiphenyls2010201014.0low000100
candesartanbenzimidazolecarboxylic acid;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
201620168.0low000010
carbamylcholine2012201212.0low000010
carbamazepinedibenzoazepine;
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
2000201614.7low001660
carbazochrome2008200816.0low000100
carbetapentanebenzenes202020204.0low000010
carbidopabenzenes;
monocarboxylic acid
2014201410.0medium000010
carbinoxaminemonochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
2008201612.0low000120
carisoprodolcarbamate estermuscle relaxant2009201612.3low000210
carmustineN-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
2004201314.2low000330
carprofencarbazoles;
organochlorine compound
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
2010201312.5low000110
carteololquinolone;
secondary alcohol
anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
2000201218.7low001110
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
2000201615.6low001540
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2006201612.8low000230
celiprololaromatic ketone2014201410.0low000010
cetirizineether;
monocarboxylic acid;
monochlorobenzenes;
piperazines
anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
2003201615.9low000520
chloral hydratealdehyde hydrate;
ethanediol;
organochlorine compound
general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
2010201014.0low000100
chlorambucilaromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
2000201614.2low001120
chlorcyclizinediarylmethane2008201612.0low000110
chlordiazepoxidebenzodiazepine2000201614.2low001120
chlormezanone1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone
antipsychotic agent;
anxiolytic drug;
muscle relaxant
2004201614.0low000210
chloroquineaminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
2000202013.4low001450
chlorothiazidebenzothiadiazineantihypertensive agent;
diuretic
2000201616.0low001110
chloroxinemonohydroxyquinoline;
organochlorine compound
antibacterial agent;
antifungal drug;
antiseborrheic
2008200816.0low000100
chloroxylenolmonochlorobenzenes;
phenols
antiseptic drug;
disinfectant;
molluscicide
2010201213.0low000110
chlorpheniraminemonochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
2000201615.1low001540
chlorpromazineorganochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
1994201916.7low0051390
chlorpropamidemonochlorobenzenes;
N-sulfonylurea
hypoglycemic agent;
insulin secretagogue
2000201613.9low001240
chlorthalidoneisoindoles;
monochlorobenzenes;
sulfonamide
2000201614.3low001020
chlorzoxazone1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound
muscle relaxant;
sedative
2010201611.0low000120
cifenlinediarylmethane2000201317.5low001010
ciclopiroxcyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone
antibacterial agent;
antiseborrheic
2004201315.5low000110
ciglitazonearomatic ether;
thiazolidinone
antineoplastic agent;
insulin-sensitizing drug
2006201314.5low000110
cilostazollactam;
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
2012201610.3low000030
cimetidinealiphatic sulfide;
guanidines;
imidazoles;
nitrile
adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
2000201614.5low001340
aricinecinchona alkaloid2012201212.0low000010
cinoxacincinnolines;
oxacycle;
oxo carboxylic acid
antibacterial drug;
antiinfective agent
2004201414.7low000210
ciprofibratecyclopropanes;
monocarboxylic acid;
organochlorine compound
antilipemic drug2006201314.8low000310
ciprofloxacinaminoquinoline;
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
2003201614.2low000560
cisapridebenzamides2000201217.1low001620
citalopram2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
2000201615.1low001740
clebopridepiperidines2011201113.0low000010
clenbuterolamino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline
beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
2006200618.0low000100
clioquinolmonohydroxyquinoline;
organochlorine compound;
organoiodine compound
antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
2008201313.7low000210
clobazam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
GABA modulator
2000201316.3low001110
clofaziminemonochlorobenzenes;
phenazines
dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
2004201315.2low000310
clofibratearomatic ether;
ethyl ester;
monochlorobenzenes
anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
2006201612.6low000230
clofiliumbenzenes;
organic amino compound
2011201113.0low000010
clomiphenetertiary amineestrogen antagonist;
estrogen receptor modulator
2010201611.2medium000130
clomipraminedibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
2000201615.0low001540
clonazepam1,4-benzodiazepinone;
monochlorobenzenes
anticonvulsant;
anxiolytic drug;
GABA modulator
2000201615.3low001110
clonidineclonidine;
imidazoline
2000201616.2low001410
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamidesulfonamide2013201311.0low000010
cloperastinediarylmethane202020204.0low000010
chlorazepate1,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
2004201614.0high000210
clotiazepamorganic molecular entity2008201015.0medium000200
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
2006201612.8low000240
cloxyquinorganochlorine compound;
quinolines
2012201212.0low000010
cocaine2011201113.0medium000010
cromolynchromones;
dicarboxylic acid
anti-asthmatic drug;
calcium channel blocker
2012201212.0medium000020
cyclandelatecarboxylic ester;
secondary alcohol
vasodilator agent2008201214.0low000210
cyclobenzaprinecarbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
2004201613.0low000230
cyclofenilorganic molecular entity2008201612.0low000110
cyproheptadinepiperidines;
tertiary amine
anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
1996201617.2low001210
danthrondihydroxyanthraquinoneapoptosis inducer;
plant metabolite
2010201014.0low000100
dapsonesubstituted aniline;
sulfone
anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
2005201612.7low000240
debrisoquincarboxamidine;
isoquinolines
adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
2008201214.0low000110
deferoxamineacyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
2010201611.0low000110
desipraminedibenzoazepine;
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
2000201615.0low001750
nordazepam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
2000200024.0low001000
amphetamineprimary amine2008201613.0low000310
eflornithinealpha-amino acid;
fluoroamino acid
trypanocidal drug2010201014.0low000100
diazepam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
2000201813.9low001750
diazoxidebenzothiadiazine;
organochlorine compound;
sulfone
antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
2000201613.8low001130
dibenzothiophenedibenzothiophenes;
mancude organic heterotricyclic parent
keratolytic drug2012201212.0low000010
dibucainearomatic ether;
monocarboxylic acid amide;
tertiary amino compound
topical anaesthetic2012201212.0low000010
diclofenacamino 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
2000201614.7low001350
ddtbenzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide
bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
2010201014.0low000100
dichlorphenamidedichlorobenzene;
sulfonamide
antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
2008201612.0low000120
dicyclominecarboxylic ester;
tertiary amine
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
2012201610.0low000020
pentetic acidpentacarboxylic acidcopper chelator201620168.0low000010
diphenidolbenzenes;
piperidines;
tertiary alcohol
antiemetic2008200816.0low000100
diflunisalmonohydroxybenzoic acid;
organofluorine compound
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2000201615.8low001320
dilacor xracetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound
2011201212.5medium000020
dimercaproldithiol;
primary alcohol
chelator201620168.0low000010
dimethadioneoxazolidinone2012201212.0low000010
diphenhydramineether;
tertiary amino compound
anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
2000201615.2low001540
diphenylpyralinepiperidines;
tertiary amine
cholinergic antagonist;
H1-receptor antagonist
2012201212.0low000010
dipivefrinethanolamines;
pivalate ester
adrenergic agonist;
antiglaucoma drug;
ophthalmology drug;
prodrug;
sympathomimetic agent
2004200420.0low000100
dipyridamolepiperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol
adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
2010201611.0low000120
disopyramidemonocarboxylic acid amide;
pyridines;
tertiary amino compound
anti-arrhythmia drug2000201615.6low001640
disulfiramorganic 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
2004201612.8low000240
valproic acidbranched-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
2000202014.3low001650
domperidonebenzimidazoles;
heteroarylpiperidine
antiemetic;
dopaminergic antagonist
2000201415.4low001130
donepezilaromatic ether;
indanones;
piperidines;
racemate
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
2010201910.9low000180
doxaprammorpholines;
pyrrolidin-2-ones
central nervous system stimulant201620168.0low000010
doxazosinaromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines
alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
2000201616.2low001120
doxepindibenzooxepine;
tertiary amino compound
antidepressant2000201615.3low001320
doxylaminepyridines;
tertiary amine
anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
2008201612.0low000120
droperidolaromatic ketone;
benzimidazoles;
organofluorine compound
anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
2003201614.8low000540
dycloninearomatic ketone;
piperidines
topical anaesthetic2012201411.0low000020
dyphyllineoxopurine;
propane-1,2-diols
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
2008201612.0low000120
e 4031sulfonamide2003201117.2low000310
ebastineorganic molecular entity2005201314.3low000120
ebselenbenzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
2012201212.0low000010
econazoledichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
2004201215.3low000210
edrophoniumphenols;
quaternary ammonium ion
antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
201620168.0low000010
enfluraneether;
organochlorine compound;
organofluorine compound
anaesthetic2004201016.7low000300
enoxacin1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor
2004201315.0low000210
epinastinebenzazepine;
guanidines
anti-allergic agent;
H1-receptor antagonist;
histamine antagonist;
ophthalmology drug
2003200818.7low000300
estazolamtriazoles;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA modulator
2004201614.0low000210
ethacrynic acidaromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid
EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
2010201610.8low000130
ethenzamideorganic molecular entity2008200816.0low000100
etherether;
volatile organic compound
inhalation anaesthetic;
non-polar solvent;
refrigerant
2008200816.0low000100
profenaminephenothiazines;
tertiary amino compound
adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
2008201214.0low000110
ethosuximidedicarboximide;
pyrrolidinone
anticonvulsant;
geroprotector;
T-type calcium channel blocker
2000201613.8low001030
ethotoinimidazolidine-2,4-dioneanticonvulsant2012201610.0low000020
ethoxzolamidearomatic ether;
benzothiazoles;
sulfonamide
antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2010201014.0low000100
ethyl loflazepateorganic molecular entity2008200816.0low000100
etidronate1,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
2004201613.0low000130
etilefrinephenols2000200024.0low001000
etizolamorganic molecular entity2008201015.0low000200
etodolacmonocarboxylic acid;
organic heterotricyclic compound
antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2000201616.5low001210
brl 428102-aminopurines;
acetate ester
antiviral drug;
prodrug
2004201613.8low000320
felbamatecarbamate esteranticonvulsant;
neuroprotective agent
2004201613.3low000330
4-biphenylylacetic acidbiphenyls;
monocarboxylic acid
non-steroidal anti-inflammatory drug2013201311.0low000010
felodipinedichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2000201615.4low001220
fendilinediarylmethane2014201410.0low000010
fenfluramine(trifluoromethyl)benzenes;
secondary amino compound
appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
2000200820.0low001200
fenofibratearomatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
2006201612.6low000230
fenoldopambenzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
2012201610.0low000020
fenoprofenmonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2005201614.3low000210
berotekresorcinols;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
2000201217.3low001110
fentanylanilide;
monocarboxylic acid amide;
piperidines
adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
2004201415.5low000510
fexofenadinepiperidines;
tertiary amine
anti-allergic agent;
H1-receptor antagonist
2004201613.7low000120
fipexidebenzodioxoles201620168.0low000010
flavoxatecarboxylic ester;
flavones;
piperidines;
tertiary amino compound
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
2008201612.0low000110
flecainidearomatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines
anti-arrhythmia drug2000201615.7low001640
fleroxacindifluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines
antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
2013201410.5low000020
fluconazoleconazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug
environmental contaminant;
P450 inhibitor;
xenobiotic
2000201615.4low001430
flucytosineaminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone
prodrug2000201615.5low001320
flufenamic acidaromatic amino acid;
organofluorine compound
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2005201414.8low000310
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
1994201618.4low001420
flumazenilethyl ester;
imidazobenzodiazepine;
organofluorine compound
antidote to benzodiazepine poisoning;
GABA antagonist
2000201614.9low001330
flumequine3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic
2014201410.0low000010
flunitrazepam1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes
anxiolytic drug;
GABAA receptor agonist;
sedative
2000201017.8low001300
fluorescitebenzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye
fluorescent dye;
radioopaque medium
201320169.5low000020
fluorouracilnucleobase analogue;
organofluorine compound
antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
2000201615.0low001330
fluoxetine(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
2000201615.2low001960
fluphenazine depotdecanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug
2004200818.0low000200
fluphenazine enanthatephenothiazines2004200818.0low000200
flurazepam1,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound
anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative
2008201612.0low000110
flurbiprofenfluorobiphenyl;
monocarboxylic acid
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2000201615.3low001330
fluspirilenediarylmethane1996201419.0low001010
flutamide(trifluoromethyl)benzenes;
monocarboxylic acid amide
androgen antagonist;
antineoplastic agent
2004201612.9low000250
flutazolamhemiaminal ether;
organic molecular entity
2008200816.0medium000100
fomepizolepyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
2010201611.0low000110
foscarnetcarboxylic acid;
one-carbon compound;
phosphonic acids
antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
2004201614.0low000110
furosemidechlorobenzoic acid;
furans;
sulfonamide
environmental contaminant;
loop diuretic;
xenobiotic
2000201614.4low001560
gabapentingamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
2004201613.5low000220
gemfibrozilaromatic etherantilipemic drug2000201615.9low001420
glafenineaminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2010201611.5low000130
gliclazideN-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
2008201313.2low000220
glimepiridesulfonamide2004201612.8low000130
glipizidearomatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines
EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
2000201615.8low001120
glutethimidepiperidines2010201014.0low000100
glyburidemonochlorobenzenes;
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
2000201614.8low001340
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) esterbenzenes201620168.0medium000010
go 6976indolocarbazole;
organic heterohexacyclic compound
EC 2.7.11.13 (protein kinase C) inhibitor2006200618.0low000100
gossypol2010201014.0low000100
granisetronaromatic amide;
indazoles
2004201614.8low000320
guaiazulenesesquiterpene2010201014.0low000100
guaifenesinmethoxybenzenes2012201610.7low000030
guanethidineazocanes;
guanidines
adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
2008201612.0low000120
guanfacineacetamides2004201613.0low000120
guanidinecarboxamidine;
guanidines;
one-carbon compound
201620168.0low000010
fasudilisoquinolines;
N-sulfonyldiazepane
antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
2010201014.0low000100
haloperidolaromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
1994202016.4low00723140
halothanehaloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound
inhalation anaesthetic2004201016.7low000300
hexachlorophenebridged diphenyl fungicide;
polyphenol;
trichlorobenzene
acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
2010201014.0low000100
miltefosinephosphocholines;
phospholipid
anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
2010201014.0low000100
hexestrolstilbenoid2010201014.0low000100
hexetidineorganic heteromonocyclic compound;
organonitrogen heterocyclic compound
2010201014.0low000100
hexobarbitalbarbiturates2000201018.0low001200
hexoprenaline2012201212.0low000010
hexylresorcinolresorcinols2008200816.0low000100
hexamethylene bisacetamideacetamides2012201212.0low000010
homochlorocyclizinediarylmethane2008200816.0low000100
hycanthonethioxanthenesmutagen;
schistosomicide drug
2012201212.0low000020
hydralazineazaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines
antihypertensive agent;
vasodilator agent
2000201614.3low001230
hydrochlorothiazidebenzothiadiazine;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
2000201615.4low001220
hydroflumethiazidebenzothiadiazine;
thiazide
antihypertensive agent;
diuretic
2008201611.8low000130
hydroxychloroquineaminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
201620206.0low000020
hydroxyureaone-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
2004201613.2low000220
hydroxyzinehydroxyether;
monochlorobenzenes;
N-alkylpiperazine
anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
2004201614.1low000530
ibuprofenmonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
2000201614.8low001440
phenelzineprimary amine2004201613.2low000230
lidocainebenzenes;
monocarboxylic acid amide;
tertiary amino compound
anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
2000201614.1low001540
mephentermineamphetamines2014201410.0low000010
alverinetertiary amineantispasmodic drug2010201014.0low000100
idebenone1,4-benzoquinones;
primary alcohol
antioxidant;
ferroptosis inhibitor
2010201014.0low000200
ifenprodilpiperidines201120208.5low000020
ifosfamideifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
2004201613.2low000220
imetitimidazoles;
imidothiocarbamic ester
H3-receptor agonist;
H4-receptor agonist
2011201113.0low000010
imipraminedibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
2000201913.1low0018110
amrinonebipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor2000201615.0low001330
indapamideindoles;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic
2004201613.0low000230
indomethacinaromatic 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
2000202013.3low001380
iodamidebenzoic acids;
organoiodine compound
radioopaque medium2008200816.0low000100
iodixanolorganoiodine compoundradioopaque medium2004200420.0low000100
iodoquinolmonohydroxyquinoline;
organoiodine compound
antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug
2012201212.0low000010
iohexolbenzenedicarboxamide;
organoiodine compound
environmental contaminant;
radioopaque medium;
xenobiotic
2004201315.0low000210
iopromidedicarboxylic acid diamide;
organoiodine compound
environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic
2004200420.0low000100
iothalamic acidorganic molecular entity2008200816.0low000100
iodipamidebenzoic acids;
organoiodine compound;
secondary carboxamide
radioopaque medium2008201015.0low000200
ioversolamidobenzoic acid2004201614.0low000110
iproniazidcarbohydrazide;
pyridines
2010201611.4low000140
avaproazaspiro compound;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
2010201611.5low000130
isocarboxazidbenzenes201620168.0low000010
isoetharinecatecholamine2012201212.0low000010
isofluraneorganofluorine compoundinhalation anaesthetic2004201016.7low000300
isoniazidcarbohydrazideantitubercular agent;
drug allergen
2000201614.6low001340
isopropamide iodidediarylmethane2008200816.0low000100
2-propanolsecondary alcohol;
secondary fatty alcohol
protic solvent2008201015.0low000200
isoproterenolcatechols;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
2000201614.3low001230
isoxsuprinealkylbenzene2008201612.5low000220
isradipinebenzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
2000201615.4low001220
itraconazolepiperazines2004201613.2low000220
ketaminecyclohexanones;
monochlorobenzenes;
secondary amino compound
analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
2000201614.2low001120
ketanserinaromatic ketone;
organofluorine compound;
piperidines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
1998201416.5low001320
ketoconazoledichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
2003201614.5low000860
ketoprofenbenzophenones;
oxo monocarboxylic acid
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
2000201615.8low001320
ketorolacamino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate
analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2000201615.2low001320
ketotifencyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound
anti-asthmatic drug;
H1-receptor antagonist
2005201215.2low000310
khellinfuranochromone;
organic heterotricyclic compound;
oxacycle
anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
2010201014.0low000100
labetalolbenzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
2000201614.5low001340
lamotrigine1,2,4-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
2000201614.8low001430
lansoprazolebenzimidazoles;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
2000201615.4low001220
beta-lapachonebenzochromenone;
orthoquinones
anti-inflammatory agent;
antineoplastic agent;
plant metabolite
2006201016.0low000200
leflunomide(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
2008201612.2low000230
letrozolenitrile;
triazoles
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
2006201612.2low000130
lidoflazinediarylmethane2005201116.0low000110
lofepraminearomatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound
antidepressant2000201316.3low001110
lomefloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antimicrobial agent;
antitubercular agent;
photosensitizing agent
2004201612.8low000130
lomustineN-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
2010201611.0low000120
loperamidemonocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol
anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
2010201611.0low000110
loratadinebenzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide
anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
2003202014.2low000540
lorazepambenzodiazepine2000201616.2low001410
losartanbiphenylyltetrazole;
imidazoles
angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
2004201613.2low000230
loxapinedibenzooxazepineantipsychotic agent;
dopaminergic antagonist
1994201619.2low003720
ly 171883acetophenones;
aromatic ether;
phenols;
tetrazoles
anti-asthmatic drug;
leukotriene antagonist
2012201212.0low000010
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-onechromones;
morpholines;
organochlorine compound
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
2006200618.0low000100
mabuterol(trifluoromethyl)benzenes2000200024.0low001000
malathiondiester;
ethyl ester;
organic thiophosphate
2010201014.0low000100
diisopropyl 1,3-dithiol-2-ylidenemalonateisopropyl ester2010201014.0low000100
maprotilineanthracenes2000201614.6low001440
mazindolorganic molecular entity2010201014.0low000100
mebendazolearomatic ketone;
benzimidazoles;
carbamate ester
antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
2000201615.3low001320
mecamylamineprimary aliphatic amine2012201610.0low000020
mechlorethaminenitrogen mustard;
organochlorine compound
alkylating agent201620168.0low000010
meclizinediarylmethane2010201611.3low000120
meclofenamic acidaminobenzoic 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
2004201613.3low000120
meclofenoxatemonocarboxylic acid2010201014.0low000100
mefenamic acidaminobenzoic 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
2004201613.4low000340
mefloquine hydrochlorideorganofluorine compound;
piperidines;
quinolines;
secondary alcohol
2003201117.8low000410
memantineadamantanes;
primary aliphatic amine
antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
2008201612.0low000120
vitamin k 31,4-naphthoquinones;
vitamin K
angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
2008201015.0low000200
mepenzolatediarylmethane201620168.0low000010
meperidineethyl ester;
piperidinecarboxylate ester;
tertiary amino compound
antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
2000201614.3low001240
mephenesinaromatic ether;
glycerol ether
2012201212.0low000010
mephenytoinimidazolidine-2,4-dioneanticonvulsant2010201611.3low000120
mepivacainepiperidinecarboxamidedrug allergen;
local anaesthetic
2010201611.8low000130
meprobamateorganic molecular entity2010201611.0low000110
benzoic acid [2-methyl-2-(propylamino)propyl] esterbenzoate ester2012201212.0medium000010
mesalamineamino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols
non-steroidal anti-inflammatory drug2004201613.5low000220
mesoridazinephenothiazines;
sulfoxide;
tertiary amino compound
dopaminergic antagonist;
first generation antipsychotic
2003201614.8low000630
metaproterenolaralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
2000201614.7low001020
metforminguanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
2004202012.1low000340
methadonebenzenes;
diarylmethane;
ketone;
tertiary amino compound
2000201616.8low001310
methapyrileneethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
2008201214.0low000110
methazolamidesulfonamide;
thiadiazoles
201620168.0low000010
methiothepinaryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist
1996201916.2low003150
methocarbamolaromatic ether;
carbamate ester;
secondary alcohol
2008201612.0low000130
methoctraminearomatic ether;
tetramine
muscarinic antagonist2014201410.0low000010
methoxsalenaromatic ether;
psoralens
antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
2010201611.0low000110
methoxyfluraneether;
organochlorine compound;
organofluorine compound
hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic
2008201015.0low000200
methoxyphenamineamphetaminesbeta-adrenergic agonist;
bronchodilator agent
2014201410.0low000010
methyclothiazidebenzothiadiazine201620168.0low000010
methyl salicylatebenzoate ester;
methyl ester;
salicylates
flavouring agent;
insect attractant;
metabolite
2010201014.0low000100
3-Hydroxy-alpha-methyl-DL-tyrosinebenzenes;
monocarboxylic acid
2014201410.0low000010
methylphenidatebeta-amino acid ester;
methyl ester;
piperidines
2008201613.4low000410
methyprylonorganic molecular entity2008201015.0low000200
metoclopramidebenzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound
antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
2000201614.6low001330
metolazoneorganochlorine compound;
quinazolines;
sulfonamide
antihypertensive agent;
diuretic;
ion transport inhibitor
201620168.0low000010
metoprololaromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
2000201614.9low001530
metronidazoleC-nitro compound;
imidazoles;
primary alcohol
antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
2000201615.5low001320
metyraponearomatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
2008201612.5low000220
mexiletinearomatic ether;
primary amino compound
anti-arrhythmia drug2000201614.3low001140
mianserindibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
1996202013.4low002450
miconazoledichlorobenzene;
ether;
imidazoles
2010201213.0low000110
midazolamimidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound
anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
2000201615.3low001620
midodrineamino acid amide;
aromatic ether;
secondary alcohol
alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
2004201613.3low000120
milrinonebipyridines;
nitrile;
pyridone
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
2000201616.7low001110
minaprinemorpholines;
pyridazines;
secondary amine
antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake inhibitor
2004200420.0low000100
minoxidildialkylarylamine;
tertiary amino compound
2004202011.6low000250
mirtazapinebenzazepine;
tetracyclic antidepressant
alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
2000201615.0low001630
mitotanediarylmethane2010201611.3low000120
mitoxantronedihydroxyanthraquinoneanalgesic;
antineoplastic agent
2004201614.0low000210
moclobemidebenzamides;
monochlorobenzenes;
morpholines
antidepressant;
environmental contaminant;
xenobiotic
2000201315.4low001220
modafinilmonocarboxylic acid amide;
sulfoxide
2008201612.8low000320
moxisylytemonoterpenoid2008201612.7low000210
deetbenzamides;
monocarboxylic acid amide
environmental contaminant;
insect repellent;
xenobiotic
2010201014.0low000100
1-(3-trifluoromethylphenyl)piperazine(trifluoromethyl)benzenes;
N-arylpiperazine
environmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic
1996199628.0low001000
acecainideacetamides;
benzamides
anti-arrhythmia drug2012201311.5low000020
nabumetonemethoxynaphthalene;
methyl ketone
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
2000201616.5low001210
nadololtetralins2012201610.3medium000030
nafamostatbenzoic acids;
guanidines
202020204.0low000010
nafronylnaphthalenes2012201212.0low000010
naftopidilpiperazines2012201212.0low000010
nalidixic acid1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic
antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
2008201612.5low000330
nan 190N-alkylpiperazine;
N-arylpiperazine;
phthalimides
serotonergic antagonist1998199826.0low001000
naphazolinenaphthalenes2012201212.0low000010
naratriptanheteroarylpiperidine;
sulfonamide;
tryptamines
serotonergic agonist;
vasoconstrictor agent
2010201611.0low000110
nefazodonearomatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles
alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
2004201613.2low000550
nefopambenzoxazocine;
tertiary amino compound
2009201313.0low000110
neostigminequaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
2012201311.5low000020
nevirapinecyclopropanes;
dipyridodiazepine
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2000201614.2low001250
nialamideorganonitrogen compound;
organooxygen compound
2010201611.0low000110
nicardipinebenzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
2000201615.0low001130
niceritrolorganic molecular entity2010201014.0low000100
niclosamidebenzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide
anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
2006200618.0low000100
nifedipineC-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
2000201615.5low001550
niflumic acidaromatic carboxylic acid;
pyridines
2005201016.5low000200
nilutamide(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone
androgen antagonist;
antineoplastic agent
2004201613.5low000220
nilvadipinedihydropyridine;
isopropyl ester;
methyl ester;
nitrile
2000201218.0low001010
nimesulidearomatic ether;
C-nitro compound;
sulfonamide
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2010201611.2low000130
nimetazepam1,4-benzodiazepinone;
C-nitro compound
anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
2008200816.0low000100
nimodipine2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
2000201615.5low001320
nisoldipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
2000201614.8low001230
nisoxetinearomatic ether;
secondary amino compound
adrenergic uptake inhibitor;
antidepressant
2009200915.0low000100
nitrazepam1,4-benzodiazepinone;
C-nitro compound
anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
2000201316.2low001310
nitrendipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
2000201316.8low001520
nitroglycerinnitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
2010201611.0low000110
nitromide2012201212.0low000010
nizatidine1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
2000201616.5medium001210
nomifensineisoquinolinesdopamine uptake inhibitor2008201612.0low000120
masoprocolcatechols;
lignan;
tetrol
antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
2004201017.0low000200
norfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
2004201612.6low000230
norfluoxetine(trifluoromethyl)benzenes2011201113.0low000010
nortriptylineorganic tricyclic compound;
secondary amine
adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
2000201615.2low001530
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-oneisoquinolines2012201212.0medium000010
nylidrinalkylbenzene2012201212.0low000010
ofloxacin3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
2003201614.4low000560
omeprazolearomatic ether;
benzimidazoles;
pyridines;
sulfoxide
2000201615.0low001330
ondansetroncarbazoles2000201616.0low001630
orphenadrineether;
tertiary amino compound
antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
2010201611.8low000140
oxamniquinearomatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
2008201015.0low000200
oxaprozin1,3-oxazoles;
monocarboxylic acid
analgesic;
non-steroidal anti-inflammatory drug
2000201615.4low001220
oxazepam1,4-benzodiazepinone;
organochlorine compound
anxiolytic drug;
environmental contaminant;
xenobiotic
2000201616.2low001210
oxethazaineamino acid amide2010201213.0low000110
oxibendazolebenzimidazoles;
carbamate ester
2012201212.0low000010
oxolinic acidaromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic
antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor
2008200816.0low000100
oxotremorineN-alkylpyrrolidine2014201410.0low000010
oxprenololaromatic ether2000201415.2low001220
oxybenzonehydroxybenzophenone;
monomethoxybenzene
dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
2010201014.0low000100
benoxinateamino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound
drug allergen;
local anaesthetic;
topical anaesthetic
2012201212.0low000010
oxybutyninacetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound
antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
2012201610.3low000030
oxymetazolinecarboxamidine;
imidazolines;
phenols
alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
201820186.0low000010
oxyphenbutazonephenols;
pyrazolidines
antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
2010201213.0low000110
aminosalicylic acidaminobenzoic acid;
phenols
antitubercular agent2010201611.0low000130
pamidronatephosphonoacetic acid2004201613.3low000120
pantoprazolearomatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
2010201611.0low000110
papaverinebenzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines
antispasmodic drug;
vasodilator agent
2009201611.8low000140
pargylinearomatic amine2008201214.0low000110
patulinfuropyran;
gamma-lactone;
lactol
antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite
2006200618.0low000100
pd 153035aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
2006200618.0low000100
pd 158780aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
2006200618.0low000100
pd 98059aromatic amine;
monomethoxyflavone
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
2006200618.0low000100
pemoline1,3-oxazolescentral nervous system stimulant2004201613.2low000220
pentamidinearomatic 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
2004201612.8low000130
pentobarbitalbarbituratesGABAA receptor agonist2008201612.8low000220
pentoxifyllineoxopurine2000201615.5low001320
perazineN-alkylpiperazine;
N-methylpiperazine;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug
2010201014.0low000100
perhexilinepiperidinescardiovascular drug2003201614.0low000340
periciazinehydroxypiperidine;
nitrile;
phenothiazines
adrenergic antagonist;
first generation antipsychotic;
sedative
2014201410.0low000010
perphenazineN-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
1994201617.3low002630
phenacemideacetamides2008201214.0low000110
phenacetinacetamides;
aromatic ether
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
2008201313.7low000210
phenazopyridinediaminopyridine;
monoazo compound
anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
2008200816.0low000100
phenindionearomatic ketone;
beta-diketone
anticoagulant2008200816.0low000100
pheniraminepyridines;
tertiary amino compound
2008200816.0low000100
phenobarbitalbarbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
2000201614.7low001330
phenolphthaleinphenols2000201018.0low001200
phenoxybenzaminearomatic amine2010201611.3low000120
phentermineprimary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
2008201612.0low000120
4-phenylbutyric acidmonocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
201620168.0low000010
phenylbutazonepyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
2000201217.2low001210
moxonidineorganohalogen compound;
pyrimidines
2010201014.0low000100
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamatepyrroloindole2012201212.0medium000010
pilsicainideorganic heterobicyclic compound;
secondary carboxamide
anti-arrhythmia drug;
sodium channel blocker
2011201113.0low000010
pinacidilpyridines2010201213.0low000110
pindololindoles;
secondary amine
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
2000201615.0low001530
pioglitazonearomatic 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
2006202011.1low000160
pipamperonearomatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
1996199628.0low001000
pipemidic acidamino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor
2010201014.0low000100
piperazineazacycloalkane;
piperazines;
saturated organic heteromonocyclic parent
anthelminthic drug2010201014.0low000100
piracetamorganonitrogen compound;
organooxygen compound
2012201311.5low000020
pirbuterolpyridines2004200420.0low000100
pirenperonearomatic ketone2009200915.0low000100
pirenzepinepyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
2000201415.3low001020
piretanidearomatic ether2012201212.0low000010
piribedilN-arylpiperazine2013201311.0low000010
polythiazidebenzothiadiazine201620168.0low000010
practololacetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound
anti-arrhythmia drug;
beta-adrenergic antagonist
2008201214.0low000110
duodotepyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
2012201610.0medium000020
ono 1078chromones2013201311.0low000010
pyranoprofenpyridochromene2008201313.5low000110
prazepambenzodiazepine2004200420.0low000100
praziquantelisoquinolines2004201613.0low000230
prazosinaromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
2000201614.6low001350
primaquineaminoquinoline;
aromatic ether;
N-substituted diamine
antimalarial2000201613.4low001240
primidonepyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
2000201615.4low001220
proadifendiarylmethane2012201212.0low000010
probenecidbenzoic acids;
sulfonamide
uricosuric drug2000201614.9low001440
probucoldithioketal;
polyphenol
anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
2000201216.7low001110
procainamidebenzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
2000201614.8low001450
procainebenzoate ester;
substituted aniline;
tertiary amino compound
central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
2009201412.3low000120
procarbazinebenzamides;
hydrazines
antineoplastic agent2004201614.0low000210
prochlorperazineN-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
2000201613.5low001140
procyclidinepyrrolidines;
tertiary alcohol
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
2000201614.3low001020
proglumidebenzamides;
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
2008200816.0low000100
promazinephenothiazines;
tertiary amine
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
2008201413.0low000110
promethazinephenothiazines;
tertiary amine
anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
2000201613.8low001230
propafenonearomatic ketone;
secondary alcohol;
secondary amino compound
anti-arrhythmia drug2000201614.2low001140
propanthelinexanthenes201620168.0low000010
propiomazinearomatic ketone;
phenothiazines;
tertiary amino compound
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist
2008200816.0low000100
propofolphenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
2004201615.2low000310
propranololnaphthalenes;
propanolamine;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
2000201813.5low001570
protriptylinecarbotricyclic compoundantidepressant2000201615.0low001120
proxyphyllineoxopurine2008200816.0low000100
pyridinolcarbamatepyridines2010201014.0low000100
pyridostigminepyridinium ion2012201610.0low000020
pyrilaminearomatic ether;
ethylenediamine derivative
H1-receptor antagonist2009201412.2low000130
pyrimethamineaminopyrimidine;
monochlorobenzenes
antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
2010201611.3low000120
sch 16134benzodiazepine2004201614.0low000210
quetiapinedibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
1996202118.2high0031121
quipazinepiperazines;
pyridines
2009200915.0low000100
rabeprazolebenzimidazoles;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
201620168.0low000010
raloxifene1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
2000201615.5low001120
ranitidinearalkylamine2000201415.1low001330
opc 12759secondary carboxamide2010201014.0low000100
riluzolebenzothiazoles2000201614.7low001330
rimantadinealkylamine2004201614.0low000110
risperidone1,2-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
1994201618.6low00112380
ritanserinorganofluorine compound;
piperidines;
thiazolopyrimidine
antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
1996200921.5low001100
rizatriptantryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
2008201612.7low000210
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2006201314.2low000320
roliprampyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
2006200618.0low000100
ropiniroleindolones;
tertiary amine
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
2010201611.0low000110
roxarsone2-nitrophenols;
organoarsonic acid
agrochemical;
animal growth promotant;
antibacterial drug;
coccidiostat
2012201212.0low000010
salicylamidephenols;
salicylamides
antirheumatic drug;
non-narcotic analgesic
2010201213.0low000110
salmeterol xinafoateether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
2004200420.0low000100
salicylsalicylic acidbenzoate 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
2008201612.0low000120
sb 206553pyrroloindole2014201410.0low000010
secobarbitalbarbituratesanaesthesia adjuvant;
GABA modulator;
sedative
2008201612.0low000110
sevofluraneether;
organofluorine compound
central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor
2004201016.7low000300
sibutramineorganochlorine compound;
tertiary amino compound
anti-obesity agent;
serotonin uptake inhibitor
2010201612.0low000210
sulfadiazinepyrimidines;
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
2000201614.8low001230
ipodate2008200816.0low000100
risedronic acidpyridines2012201610.0low000020
sotalolethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide
anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
2004201613.0low000340
4-phenylbutyric acid, sodium saltorganic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug
2010201014.0low000100
spiperonearomatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound
alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
1994201519.3low003120
spiroxatrineimidazolidines1998200920.5low001100
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
2006201612.2low000130
vorinostatdicarboxylic acid diamide;
hydroxamic acid
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
2010201611.0low000120
succinylcholinequaternary ammonium ion;
succinate ester
drug allergen;
muscle relaxant;
neuromuscular agent
2008201612.0low000110
succinylsulfathiazole1,3-thiazoles2012201212.0low000010
sulconazoledichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide
2004200420.0low000100
sulfacetamideN-sulfonylcarboxamide;
substituted aniline
antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
2012201212.0low000010
sulfadimethoxinearomatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
2008201214.0low000210
sulfamerazinepyrimidines;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
drug allergen
2010201213.0low000110
sulfameterpyrimidines;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
leprostatic drug;
renal agent
2010201014.0low000100
sulfamethazinepyrimidines;
sulfonamide antibiotic;
sulfonamide
antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
2010201213.0low000110
sulfamethizolesulfonamide antibiotic;
sulfonamide;
thiadiazoles
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
2010201611.3low000120
sulfamethoxazoleisoxazoles;
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
2000201315.0low001230
sulfanilamidesubstituted aniline;
sulfonamide antibiotic;
sulfonamide
antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2010201014.0low000100
sulfanitransulfonamide2013201311.0low000010
sulfaphenazoleprimary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide
antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
2010201213.0low000110
sulfapyridinepyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
2010201014.0low000100
sulfasalazine2004201612.5low000240
sulfathiazole1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide
antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
2004201615.7low000210
sulfinpyrazonepyrazolidines;
sulfoxide
uricosuric drug2000201019.0low001200
sulfisoxazoleisoxazoles;
sulfonamide antibiotic;
sulfonamide
antibacterial drug;
drug allergen
2000201317.2low001220
sulfobromophthalein2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols
dye2008200816.0low000100
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene2010201611.0medium000110
sulpiridebenzamides;
N-alkylpyrrolidine;
sulfonamide
antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
1998201217.0low002220
sumatriptansulfonamide;
tryptamines
serotonergic agonist;
vasoconstrictor agent
1996201616.1low002530
suprofenaromatic 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
2004201414.7low000210
suraminnaphthalenesulfonic 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
2008201015.0low000200
talipexoleazepine2010201014.0low000100
gatifloxacinN-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2003201414.9low000430
tazaroteneacetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane
keratolytic drug;
prodrug;
teratogenic agent
2004201315.5low000110
tegafurorganohalogen compound;
pyrimidines
2008201015.0low000200
telenzepinebenzodiazepine2012201212.0low000010
temazepambenzodiazepine2000201617.0low001310
temozolomideimidazotetrazine;
monocarboxylic acid amide;
triazene derivative
alkylating agent;
antineoplastic agent;
prodrug
2010201611.0low000120
terazosinfurans;
piperazines;
primary amino compound;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
2000201614.9low001240
terbutalinephenylethanolamines;
resorcinols
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
2000201613.8low001230
terfenadinediarylmethane2003201415.4low000740
tetracainebenzoate ester;
tertiary amino compound
local anaesthetic2009201412.8low000220
tetrahydroxy-1,4-quinonehydroxybenzoquinonekeratolytic drug2012201212.0low000010
thalidomidephthalimides;
piperidones
2006201613.6low000320
thiabendazole1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles
antifungal agrochemical;
antinematodal drug
2010201611.3low000120
2-thiosalicylic acidsulfanylbenzoic acidantipyretic;
non-narcotic analgesic
2012201212.0low000010
thioridazinephenothiazines;
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
1994201618.5low0041230
thiotepaaziridines2004201612.8low000130
tiapridebenzamides2013201311.0low000010
tiaprofenic acidaromatic ketone;
monocarboxylic acid;
thiophenes
drug allergen;
non-steroidal anti-inflammatory drug
2010201014.0low000100
tiaramidebenzothiazoles2008200816.0low000100
ticlopidinemonochlorobenzenes;
thienopyridine
anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
2004201613.6low000340
tiloronearomatic ether;
diether;
fluoren-9-ones;
tertiary amino compound
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
2008201313.5low000110
tinidazoleimidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
201320169.5low000020
tioconazoledichlorobenzene;
ether;
imidazoles;
thiophenes
2004200420.0low000100
tioproninN-acyl-amino acid2004201614.5low000310
tizanidinebenzothiadiazole;
imidazoles
alpha-adrenergic agonist;
muscle relaxant
2000201615.3low001420
nikethamidepyridinecarboxamide2013201311.0low000010
tolazamideN-sulfonylureahypoglycemic agent;
potassium channel blocker
2010201611.3low000120
tolazolineimidazolesalpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
2012201212.0low000010
tolbutamideN-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
2000201614.2low001230
tolmetinaromatic ketone;
monocarboxylic acid;
pyrroles
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
2000201614.0low001020
tolnaftatemonothiocarbamic esterantifungal drug2012201311.5low000020
tolperisonearomatic ketone2008201015.0low000200
ultramaromatic ether;
tertiary alcohol;
tertiary amino compound
2000201616.0high001410
tranexamic acidamino acid2010201611.0low000110
trapidiltriazolopyrimidines2012201212.0low000010
trazodonemonochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine
adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
2000201614.6low001330
triamterenepteridinesdiuretic;
sodium channel blocker
2000201614.3low001020
triazolamtriazolobenzodiazepinesedative2000201616.5low001210
trichlormethiazidebenzothiadiazine;
sulfonamide antibiotic
antihypertensive agent;
diuretic
2008200816.0low000100
triclosanaromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols
antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
2010201014.0low000100
trientinepolyazaalkane;
tetramine
copper chelator2004200420.0low000100
trifluoperazineN-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
2003201615.4low000320
trifluperidolaromatic ketone2008201214.0low000110
triflupromazineorganofluorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
2010201213.0low000110
trihexyphenidylamine2008201612.0low000110
trimebutinetrihydroxybenzoic acid2008201214.0low000110
trimeprazinephenothiazines2012201411.0low000020
trimethadioneoxazolidinoneanticonvulsant;
geroprotector
2004201614.5low000310
trimethobenzamidebenzamides;
tertiary amino compound
antiemetic201620168.0low000010
trimethoprimaminopyrimidine;
methoxybenzenes
antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
2000201614.7low001450
trimetrexate2004201614.0low000110
trimipraminedibenzoazepine;
tertiary amino compound
antidepressant;
environmental contaminant;
xenobiotic
2004201613.5low000220
trioxsalenpsoralensdermatologic drug;
photosensitizing agent
2012201212.0low000010
tripelennaminearomatic amine2008200816.0low000100
troglitazonechromanes;
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
2005201613.8low000440
tropicamideacetamides2012201212.0low000010
thenoyltrifluoroacetone2013201311.0low000010
tulobuterolorganochlorine compound2012201212.0low000010
tyraminemonoamine molecular messenger;
primary amino compound;
tyramines
EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
201620168.0low000010
delavirdineaminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2008201612.0low000110
undecylenic acidundecenoic acidantifungal drug;
plant metabolite
2013201311.0low000010
urapidilpiperazines2000201315.7low001020
urethanecarbamate esterfungal metabolite;
mutagen
2012201212.0low000010
venlafaxinecyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound
adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
2000201614.2medium001550
vesnarinoneorganic molecular entity2003201116.0low000310
vigabatringamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
2010201611.8low000220
n-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-n-(2-pyridinyl)cyclohexanecarboxamidepiperazines1998201915.5low001010
wb 4101aromatic ether;
benzodioxine;
secondary amino compound
alpha-adrenergic antagonist2014201410.0low000010
pirinixic acidaryl sulfide;
organochlorine compound;
pyrimidines
2013201311.0low000010
xylazine1,3-thiazine;
methylbenzene;
secondary amino compound
alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
2012201212.0low000010
xylometazolinealkylbenzene2012201212.0low000010
ici 204,219carbamate ester;
indoles;
N-sulfonylcarboxamide
anti-asthmatic agent;
leukotriene antagonist
2004201613.0low000240
zaleplonnitrile;
pyrazolopyrimidine
anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
201320169.5low000020
zm 336372benzamides2006200618.0low000100
zolpidemimidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
2004201613.8low000420
zomepiracaromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles
cardiovascular drug;
non-steroidal anti-inflammatory drug
2004201216.0low000220
zonisamide1,2-benzoxazoles;
sulfonamide
anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
2006201612.8low000220
zopiclonemonochloropyridine;
pyrrolopyrazine
central nervous system depressant;
sedative
2010201312.5low000110
zotepinedibenzothiepine;
tertiary amino compound
alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
1994200922.7low003400
guanidine hydrochlorideone-carbon compound;
organic chloride salt
protein denaturant2010201014.0medium000100
hydrocortisone acetatecortisol ester;
tertiary alpha-hydroxy ketone
2010201014.0low000100
cortisone acetatecorticosteroid hormone2010201611.0low000110
mitomycinmitomycinalkylating agent;
antineoplastic agent
2010201611.3low000120
corticosterone11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
2009200915.0low000100
prednisolone11beta-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
2000201613.8low001130
estriol16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid
estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
2010201212.7low000120
lysergic acid diethylamideergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound
dopamine agonist;
hallucinogen;
serotonergic agonist
2008200816.0low000100
reserpinealkaloid 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
2010201611.2low000130
cephaloridinebeta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative
antibacterial drug2010201014.0low000100
phentolamineimidazoles;
phenols;
substituted aniline;
tertiary amino compound
alpha-adrenergic antagonist;
vasodilator agent
2008201811.0low000240
sorbitolglucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
2008201612.7low000210
thymidinepyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
2010201014.0low000100
floxuridinenucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
2004201215.5low000310
piperonyl butoxidebenzodioxolespesticide synergist2010201213.0low000110
bromouracilnucleobase analogue;
pyrimidines
mutagen2010201014.0low000100
3,3',5-triiodothyroacetic acid2010201014.0low000100
histamine dihydrochloride2010201014.0low000100
thyroxine2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine
antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
2010201611.0low000110
dextroamphetamine1-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
2010201610.7low000120
carbacholammonium salt;
carbamate ester
cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
2010201014.0low000100
norethindrone acetate3-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound
progestin;
synthetic oral contraceptive
2008201015.0low000200
spironolactone3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester
aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
2000201616.5low001210
cyclobarbitalbarbiturates2008201015.0low000200
allobarbitalbarbiturates2010201014.0low000100
penicillaminenon-proteinogenic alpha-amino acid;
penicillamine
antirheumatic drug;
chelator;
copper chelator;
drug allergen
2004201612.6low000230
trichlorfonorganic phosphonate;
organochlorine compound;
phosphonic ester
agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
2010201014.0low000100
norethandrolonecorticosteroid hormone2008200816.0low000100
cysteinecysteine 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
201620168.0low000010
prednisone11-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
2000201615.6low001220
estrone17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols
antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
2010201611.3low000120
methylprednisolone acetate11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
glucocorticoid;
steroid ester;
tertiary alpha-hydroxy ketone
anti-inflammatory drug2010201014.0low000100
oxandrolone17beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid
anabolic agent;
androgen
2008201612.7low000210
dehydroepiandrosterone17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid
androgen;
human metabolite;
mouse metabolite
2010201014.0low000100
nadNADgeroprotector2010201014.0low000100
penicillin gpenicillin allergen;
penicillin
antibacterial drug;
drug allergen;
epitope
2010201611.0low000130
metaraminolphenylethanolaminesalpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
2012201212.0low000020
pilocarpinepilocarpineantiglaucoma drug2004201614.5low000310
pentylenetetrazoleorganic heterobicyclic compound;
organonitrogen heterocyclic compound
2012201212.0low000010
triiodothyronine2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine
human metabolite;
mouse metabolite;
thyroid hormone
2010201611.3low000120
isonicotinic acidpyridinemonocarboxylic acidalgal metabolite;
human metabolite
2014201410.0medium000010
carbon tetrachloridechlorocarbon;
chloromethanes
hepatotoxic agent;
refrigerant
2013201311.0low000010
desoxycorticosterone acetatecorticosteroid hormone2008200816.0low000100
chloramphenicolC-nitro compound;
carboxamide;
diol;
organochlorine compound
antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
2000202013.5low001340
aspartic acidaspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
2014201410.0low000010
glutamineamino 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
2010201611.0low000110
lysineaspartate 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
2008200816.0low000100
cetrimonium bromideorganic bromide salt;
quaternary ammonium salt
detergent;
surfactant
2010201014.0low000100
chlorobutanoltertiary alcohol2011201113.0low000010
vincristineacetate 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
2004201614.0low000210
physostigminecarbamate ester;
indole alkaloid
antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
2010201610.7low000120
sucroseglycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
2010201014.0low000100
ethinyl estradiol17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound
xenoestrogen2000201315.1low001340
testosterone propionatesteroid ester2004201017.0low000200
tubocurarinebisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist
2013201311.0low000010
apomorphineaporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
201020199.9low000250
aminopyrinepyrazolone;
tertiary amino compound
antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
2010201213.0low000120
methyltestosterone17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone
anabolic agent;
androgen;
antineoplastic agent
2010201611.0low000110
tetrabenazinebenzoquinolizine;
cyclic ketone;
tertiary amino compound
2010201611.0low000110
cephalothinazabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes
antibacterial drug;
antimicrobial agent
2010201014.0low000100
uridineuridinesdrug metabolite;
fundamental metabolite;
human metabolite
2010201014.0low000100
kanamycin akanamycinsbacterial metabolite2010201611.0low000120
ethopabateamidobenzoic acid2012201212.0low000010
phenylephrinephenols;
phenylethanolamines;
secondary amino compound
alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
2000201019.0low001100
levodopaamino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
2010201312.5low000110
edetic acidethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid
anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
201620168.0low000010
tyrosineamino 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
2014201410.0low000010
cysteamineamine;
thiol
geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
2008201612.0low000120
acetylcholine chloridequaternary ammonium salt201620168.0low000010
mepazinephenothiazines201620168.0low000010
acepromazinearomatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound
phenothiazine antipsychotic drug2012201212.0low000010
methoxamineamphetaminesalpha-adrenergic agonist;
antihypotensive agent
2012201212.0low000010
n,n-dimethyltryptaminetryptamine alkaloid;
tryptamines
1996199628.0low001000
niridazole1,3-thiazoles;
C-nitro compound
2010201014.0low000100
cloxacillinpenicillin allergen;
penicillin;
semisynthetic derivative
antibacterial agent;
antibacterial drug
2012201610.0low000020
bretylium tosylateorganosulfonate salt;
quaternary ammonium salt
adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
2004200818.0low000200
zoxazolaminebenzoxazole2012201212.0low000020
leucineamino 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
2008201412.7low000120
berlitiondithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid
cofactor;
nutraceutical;
prosthetic group
2012201212.0low000010
calcium acetatecalcium saltchelator201620168.0low000010
carbarylcarbamate ester;
naphthalenes
acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant
2010201014.0low000100
lactoselactose2010201014.0low000100
methionineaspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid
antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
2010201611.0low000110
phenylalanineamino 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
2014201410.0low000010
Mebutamateorganic molecular entity2010201014.0medium000100
desoxycorticosterone20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
2012201212.0low000010
colchicinealkaloid;
colchicine
anti-inflammatory agent;
gout suppressant;
mutagen
2007201612.3low000240
gallamine triethiodide2008200816.0low000100
mebanazinebenzenes201620168.0low000010
oxacillinpenicillinantibacterial agent;
antibacterial drug
2000201616.0low001010
chloroformchloromethanes;
one-carbon compound
carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
2008200816.0low000100
triamcinolone diacetatecorticosteroid hormone2013201311.0low000010
norethindrone17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol
progestin;
synthetic oral contraceptive
2000201216.7low001110
norethynodreloxo steroid2010201014.0low000100
cycloserine4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion
antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
2012201610.0low000020
benziodaronearomatic ketone2010201611.0low000110
ampicillinbeta-lactam antibiotic;
penicillin allergen;
penicillin
antibacterial drug2010201610.7low000120
mannitolmannitolallergen;
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
2010201611.0low000110
cytarabinebeta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside
antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
2004201613.5low000330
trifluridinenucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
2004201216.0low000110
4-hydroxypropiophenoneacetophenones2008200816.0low000100
1,1,1-trichloroethanechloroethanespolar solvent2008200816.0low000100
medroxyprogesterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester
adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
2004201315.0low000210
mestranol17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound
prodrug;
xenoestrogen
2004201215.3low000210
methaqualonequinazolinesGABA agonist;
sedative
2010201014.0low000100
trypan blue2010201014.0medium000100
methandrostenoloneorganic molecular entity2008200816.0low000100
cordycepin3'-deoxyribonucleoside;
adenosines
antimetabolite;
nucleoside antibiotic
2010201014.0low000100
tryptophanerythrose 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
2010201412.0low000110
quinethazonequinazolinesantihypertensive agent;
diuretic
2008200816.0low000100
argininearginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
2010201611.0low000110
ethanealkane;
gas molecular entity
plant metabolite;
refrigerant
2008200816.0low000100
ethylenealkene;
gas molecular entity
plant hormone;
refrigerant
2008200816.0low000100
acetylenealkyne;
gas molecular entity;
terminal acetylenic compound
2008200816.0low000100
ethylamineprimary aliphatic aminehuman metabolite2014201410.0low000010
methylene chloridechloromethanes;
volatile organic compound
carcinogenic agent;
polar aprotic solvent;
refrigerant
2008200816.0low000100
cyclopropanecycloalkane;
cyclopropanes
inhalation anaesthetic2008200816.0low000100
ethylene oxidegas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent
allergen;
mouse metabolite;
mutagen
2008200816.0low000100
tribromoethanolalcohol;
organobromine compound
2008200816.0low000100
1,1,1-trifluoro-2-chloroethaneorganofluorine compound2008200816.0low000100
trichloroacetic acidmonocarboxylic acid;
organochlorine compound
carcinogenic agent;
metabolite;
mouse metabolite
2010201014.0low000100
perflutrenfluoroalkane;
fluorocarbon
201620168.0low000010
triamcinolone acetonide11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
2010201312.5low000110
fluoxymesterone11beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid
anabolic agent;
antineoplastic agent
201620168.0low000010
mepenzolate bromidediarylmethane2008201214.0low000110
allylpropymalbarbiturates2010201014.0low000100
phencyclidinebenzenes;
piperidines
anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
2008200816.0low000100
butobarbitalbarbiturates2008201015.0low000200
methsuximideorganic molecular entity201620168.0low000010
carbromalN-acylurea2008200816.0low000100
tromethamineprimary amino compound;
triol
buffer201420169.0low000020
triparanolstilbenoidanticoronaviral agent2008200816.0low000100
isobutyl alcoholalkyl alcohol;
primary alcohol
Saccharomyces cerevisiae metabolite2008200816.0low000100
methylethyl ketonebutanone;
dialkyl ketone;
methyl ketone;
volatile organic compound
bacterial metabolite;
polar aprotic solvent
2008200816.0low000100
trichloroethylenechloroethenesinhalation anaesthetic;
mouse metabolite
2008201015.0low000200
acrylic acidalpha,beta-unsaturated monocarboxylic acidmetabolite2008200816.0low000100
pantothenic acidpantothenic acid;
vitamin B5
antidote to curare poisoning;
geroprotector;
human blood serum metabolite
2008201214.0low000110
sulfachlorpyridazineorganochlorine compound;
pyridazines;
sulfonamide
antibacterial drug;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
2012201212.0low000010
dehydrocholic acid12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid
gastrointestinal drug2010201014.0low000100
cyclizineN-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
2008200816.0low000100
buclizinemonochlorobenzenes;
N-alkylpiperazine
antiemetic;
central nervous system depressant;
cholinergic antagonist;
histamine antagonist;
local anaesthetic
2008200816.0low000100
methylprednisolone6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
2000201614.8low001230
rotenoneorganic heteropentacyclic compound;
rotenones
antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
2006201314.5low000110
thiopropazateacetate ester;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug
2008200816.0low000100
acetrizoic acidaminobenzoic acid2008200816.0low000100
brompheniramineorganobromine compound;
pyridines
anti-allergic agent;
H1-receptor antagonist
2011201610.3low000030
phensuximidepyrrolidines2012201212.0low000010
dimethisoquinisoquinolines2012201212.0medium000010
penicillin vpenicillin allergen;
penicillin
2008201612.5low000220
isosorbide dinitrateglucitol derivative;
nitrate ester
nitric oxide donor;
vasodilator agent
2010201611.0low000110
pseudoephedrinephenylethanolamines;
secondary alcohol;
secondary amino compound
anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
2008201612.0low000110
diethylpropionaromatic ketone;
tertiary amine
appetite depressant201620168.0low000010
phenylpiperazine2014201410.0low000010
2-naphthoic acidnaphthoic acidmouse metabolite;
xenobiotic metabolite
2014201410.0low000010
mecoproparomatic ether;
monocarboxylic acid;
monochlorobenzenes
2014201410.0low000010
synephrineethanolamines;
phenethylamine alkaloid;
phenols
alpha-adrenergic agonist;
plant metabolite
2010201412.0low000120
propylparabenbenzoate ester;
paraben;
phenols
antifungal agent;
antimicrobial agent
2008200816.0low000100
benzoyl peroxidecarbonyl compound2010201014.0low000100
2-xylenexylene2008200816.0low000100
3-methylpentanealkane;
volatile organic compound
allelochemical;
human metabolite;
non-polar solvent
2008200816.0low000100
methylcyclopentanecycloalkane;
volatile organic compound
human metabolite;
plant metabolite
2008200816.0medium000100
4-chloro-alpha,alpha,alpha-trifluorotoluene2008200816.0low000100
methylparabenparabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
2008200816.0low000100
pyridostigmine bromidepyridinium salt2012201212.0low000010
benzonatatebenzoate ester;
secondary amino compound;
substituted aniline
anaesthetic;
antitussive
2012201610.0low000020
1,3-butadienebutadienecarcinogenic agent;
mutagen
2008200816.0low000100
2-methylpentanealkane2008200816.0low000100
deanolethanolamines;
tertiary amine
curing agent;
radical scavenger
2014201410.0low000010
4-methylmorpholine2014201410.0low000010
pentanealkane;
volatile organic compound
non-polar solvent;
refrigerant
2008200816.0low000100
n-butylamineprimary aliphatic amine2014201410.0low000010
furanfurans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
2010201014.0low000100
n-hexanealkane;
volatile organic compound
neurotoxin;
non-polar solvent
2008200816.0low000100
cyclohexanecycloalkane;
volatile organic compound
non-polar solvent2008200816.0low000100
piperidineazacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine
base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
2014201410.0low000010
morpholinemorpholines;
saturated organic heteromonocyclic parent
NMR chemical shift reference compound2014201410.0low000010
hexahydroazepineazacycloalkane;
azepanes;
saturated organic heteromonocyclic parent
2014201410.0low000010
ergotaminepeptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
2010201412.0low000110
estradiol dipropionatesteroid ester2004200818.0low000200
methylergonovineergoline alkaloid201620168.0low000010
imipramine hydrochloridehydrochlorideantidepressant201520159.0low000010
neostigmine bromidebromide salt2010201213.0low000110
phenforminbiguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
2010201312.3low000120
propylenealkene;
gas molecular entity
refrigerant;
xenobiotic
2008200816.0low000100
mephobarbitalbarbituratesanticonvulsant2010201014.0low000100
paramethadioneoxazolidinoneanticonvulsant2008200816.0low000100
hexachlorobenzenearomatic fungicide;
chlorobenzenes
antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
2010201014.0low000100
trinitrotoluenetrinitrotolueneexplosive2010201014.0low000100
framycetinaminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
2008201015.0low000200
n-methylpyrrolidine2014201410.0low000010
triethylaminetertiary amine2014201410.0low000010
pyrazolanthroneanthrapyrazole;
aromatic ketone;
cyclic ketone
antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
2010201014.0low000100
megluminehexosamine;
secondary amino compound
2010201412.0low000110
cinchophenquinolines2010201611.3low000120
chloroprocainebenzoate ester;
monochlorobenzenes
central nervous system depressant;
local anaesthetic;
peripheral nervous system drug
2012201411.0low000020
n-heptanealkane;
volatile organic compound
non-polar solvent;
plant metabolite
2008200816.0low000100
anileridineethyl ester;
piperidinecarboxylate ester;
substituted aniline
opioid analgesic;
opioid receptor agonist
2008200816.0low000100
yohimbinemethyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
2010201412.0low000120
nafcillinpenicillin allergen;
penicillin
antibacterial drug2000201617.3low001110
ditiocarbdithiocarbamic acidschelator;
copper chelator
2008201214.0low000110
mequinolmethoxybenzenes;
phenols
metabolite2010201014.0low000100
aziridineazacycloalkane;
aziridines;
saturated organic heteromonocyclic parent
alkylating agent2014201410.0low000010
methohexitalacetylenic compound;
barbiturates
drug allergen;
intravenous anaesthetic
2004201614.0low000110
quinestrol17-hydroxy steroid;
terminal acetylenic compound
xenoestrogen2010201014.0low000100
sulfalenepyrazines;
sulfonamide antibiotic;
sulfonamide
2008200816.0low000100
dydrogesterone20-oxo steroid;
3-oxo-Delta(4) steroid
progestin2010201014.0low000100
propantheline bromidexanthenes2008201214.0low000110
ephedrinephenethylamine alkaloid;
phenylethanolamines
bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
2008201612.0low000220
chlormadinone acetatecorticosteroid hormone2008201015.0low000200
norchlorcyclizine2008200816.0low000100
2,3-dimercaptosuccinic acid2010201014.0medium000100
estradiol 17 beta-cypionatesteroid ester2004200420.0low000100
evans blueorganic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
2008201015.0low000200
testosterone enanthateheptanoate ester;
sterol ester
androgen2004201017.0low000200
opipramoldibenzoazepine2008200816.0low000100
dibenzepindibenzodiazepine2014201410.0low000010
aminophyllinemixturebronchodilator agent;
cardiotonic drug
2010201611.0low000120
azacitidineN-glycosyl-1,3,5-triazine;
nucleoside analogue
antineoplastic agent2010201611.0low000110
phenyramidolaminopyridine2010201014.0low000100
carbutamidebenzenes;
sulfonamide
2008201015.0low000200
glymidinediether;
pyrimidines;
sulfonamide
hypoglycemic agent2008200816.0medium000100
galantaminebenzazepine 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
201320169.7low000030
nandrolone decanoatesteroid ester2010201611.0low000110
methysergideergoline alkaloid1996199628.0low001000
bucladesine3',5'-cyclic purine nucleotide;
butanamides;
butyrate ester
agonist;
cardiotonic drug;
vasodilator agent
2010201014.0low000100
procarbazine hydrochloridehydrochlorideantineoplastic agent2013201311.0low000010
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanaminearomatic amine2008200816.0medium000100
trifluoroethylamine2014201410.0low000010
betamethasone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
2000201317.2low001210
prenylaminediarylmethane2008200816.0low000100
perflubronhaloalkane;
organobromine compound;
perfluorinated compound
blood substitute;
radioopaque medium
2010201014.0low000100
fluorometholone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone
anti-inflammatory drug2012201212.0low000010
cyproterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester
androgen antagonist;
geroprotector;
progestin
2010201014.0low000100
nandrolone17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid
human metabolite2008200816.0low000100
thiazolidine-4-carboxylic acidalpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
sulfur-containing amino acid;
thiazolidinemonocarboxylic acid
antidote;
antioxidant;
hepatoprotective agent
2008200816.0low000100
2-fluoroethylamine2014201410.0medium000010
chlorphentermineamphetamines2008200816.0low000100
dextropropoxyphene1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
2000201614.3low001320
glycyrrhetinic acidcyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid
immunomodulator;
plant metabolite
2008201214.0low000210
chenodeoxycholic acidbile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
2004201614.0low000210
lucanthonethioxanthenesadjuvant;
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
2008200816.0low000100
dichloralantipyrine2008200816.0low000100
emetineisoquinoline alkaloid;
pyridoisoquinoline
antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
2008201313.5low000110
dihydralazinephthalazines2008201214.0low000210
bufotenintertiary amine;
tryptamine alkaloid
coral metabolite;
hallucinogen
2009200915.0low000100
phenylpropanolamineamphetamines;
phenethylamine alkaloid
plant metabolite2010201014.0low000100
arecaidinecitraconoyl group2014201410.0low000010
4-hydroxybutyric acid4-hydroxy monocarboxylic acid;
hydroxybutyric acid
general anaesthetic;
GHB receptor agonist;
neurotoxin;
sedative
201620168.0low000010
azetidineazacycloalkane;
azetidines;
saturated organic heteromonocyclic parent
2014201410.0low000010
dihydroergotamineergot alkaloid;
semisynthetic derivative
dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
2010201612.0low000210
methallenestrilnaphthalenes2008200816.0low000100
podophyllotoxinfuronaphthodioxole;
lignan;
organic heterotetracyclic compound
antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
2004201017.0low000200
hesperidin3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside
mutagen2010201014.0low000100
medroxyprogesterone17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone
contraceptive drug;
progestin;
synthetic oral contraceptive
201620168.0low000010
androstenediol17beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid
androgen;
human metabolite;
mouse metabolite;
radiation protective agent
2008200816.0low000100
dimenhydrinatediarylmethane2012201610.3low000030
gluconic acidgluconic acidchelator;
Penicillium metabolite
2014201410.0low000010
4-(benzoylamino)-2-hydroxybenzoic acidbenzamides2012201212.0low000010
chlormethiazolethiazoles2000201019.0low001100
methamphetamineamphetamines;
secondary amine
central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
2010201611.0low000130
levocarnitinecarnitineantilipemic drug;
nootropic agent;
nutraceutical;
Saccharomyces cerevisiae metabolite;
water-soluble vitamin (role)
2004201614.7medium000210
decamethonium dibromide2008200816.0low000100
sulfanilylureabenzenes;
sulfonamide
201620168.0low000010
gentian violetorganic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
2010201014.0low000100
thiphenamildiarylmethane2008200816.0low000100
1-naphthylisothiocyanateisothiocyanateinsecticide2013201311.0low000010
aminopenicillanic acidamino acid zwitterion;
penicillanic acids
allergen2014201410.0low000010
hematoporphyrin2010201014.0low000100
glycyl-glycyl-glycinetripeptide zwitterion;
tripeptide
2014201410.0low000010
metahexamidebenzenes;
sulfonamide
2008200816.0low000100
phenindamineindene2008200816.0low000100
lactuloseglycosylfructosegastrointestinal drug;
laxative
2010201611.0low000110
megestrol acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester
antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
2004201314.2low000220
n,n-dimethylethylamine2014201410.0low000010
pamabrom201620168.0low000010
2-amino-2-methyl-1-propanol2008200816.0low000100
diethylmethylamine2014201410.0medium000010
acetylcysteineacetylcysteine;
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
2004201614.0low000210
glycine ethyl ester2014201410.0low000010
n-methylpiperidine2014201410.0low000010
phendimetrazine2008201214.0low000110
trimetozinemorpholines2008201214.0low000110
benzydaminearomatic ether;
indazoles;
tertiary amino compound
analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug
2014201410.0low000010
erythromycin stearateaminoglycoside2010201014.0low000100
erythromycincyclic ketone;
erythromycin
2004201613.3low000450
butaperazinephenothiazines2008200816.0low000100
docosanoldocosanol;
long-chain primary fatty alcohol
antiviral drug;
plant metabolite
2012201212.0low000010
hydroxychloroquine sulfate2013201311.0low000010
levonorgestrel17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound
contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
2004201613.0low000120
tempidonpiperidones2014201410.0low000010
vinblastine2008201015.0low000200
diphenoxylateethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine
antidiarrhoeal drug201620168.0low000010
oxolamineoxadiazole;
ring assembly
2008200816.0low000100
ethylestrenol17beta-hydroxy steroid;
tertiary alcohol
anabolic agent2008200816.0low000100
estradiol valeratesteroid ester2004201017.0medium000200
ethambutol hydrochloridehydrochlorideantitubercular agent2013201311.0low000010
ethambutolethanolamines;
ethylenediamine derivative
antitubercular agent;
environmental contaminant;
xenobiotic
2000201617.3low001110
tetramethylpyrazinealkaloid;
pyrazines
antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
2012201212.0low000010
dehydroepiandrosterone acetatesteroid ester2008200816.0low000100
antimycin abenzamides;
formamides;
macrodiolide;
phenols
antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
2013201311.0low000010
vancomycinglycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
2010201610.7low000120
d-alpha tocopherolalpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
2010201611.0low000110
pregnenolone carbonitrilealiphatic nitrile2013201311.0low000010
flurandrenolone21-hydroxy steroid2012201212.0low000010
ibufenacmonocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
201620168.0low000010
metylperonaromatic ketone2013201311.0low000010
metaxalonearomatic ether2008201612.0low000110
spectinomycincyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound
antibacterial drug;
antimicrobial agent;
bacterial metabolite
2008201612.0low000110
clopyralidorganochlorine pesticide;
pyridines
herbicide2014201410.0low000010
dimethylaminopropionitrile2014201410.0low000010
paraquatorganic cationgeroprotector;
herbicide
2008200816.0low000100
dronabinolbenzochromene;
diterpenoid;
phytocannabinoid;
polyketide
cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
2000201616.0low001310
2-chloro-11-(4-methyl-1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepine2004200420.0low000100
amiloridearomatic amine;
guanidines;
organochlorine compound;
pyrazines
diuretic;
sodium channel blocker
2000201614.5low001120
clothiapinedibenzothiazepine2008200816.0low000100
pimozidebenzimidazoles;
heteroarylpiperidine;
organofluorine compound
antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
1994202017.2low003850
flumethasone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-inflammatory drug2012201212.0low000010
betamethasone valerate11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
primary alpha-hydroxy ketone;
steroid ester
anti-inflammatory drug2004200420.0low000100
azaribineacetate ester;
N-glycosyl-1,2,4-triazine
antipsoriatic;
prodrug
2008200816.0low000100
5-phenylvaleric acidbenzenes;
monocarboxylic acid
2014201410.0low000010
methylprednisolone hemisuccinatecorticosteroid hormone;
hemisuccinate
2004200420.0low000100
dexbrompheniraminebrompheniramineanti-allergic agent;
H1-receptor antagonist
201620168.0low000010
sulfadoxinepyrimidines;
sulfonamide
antibacterial drug;
antimalarial
2008201213.5low000220
sulfur hexafluoridesulfur coordination entitygreenhouse gas;
NMR chemical shift reference compound;
ultrasound contrast agent
2008200816.0low000100
acadesine1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue
antineoplastic agent;
platelet aggregation inhibitor
2010201014.0low000100
acetophenazineN-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines
phenothiazine antipsychotic drug2008200816.0low000100
toliprololaromatic ether2008200816.0medium000100
stavudinedihydrofuran;
nucleoside analogue;
organic molecular entity
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
2004201613.0low000230
doxifluridineorganofluorine compound;
pyrimidine 5'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
prodrug
2010201014.0low000100
dicloxacillindichlorobenzene;
penicillin
antibacterial drug2000201614.2low001130
cyclacillinpenicillinantibacterial drug2004201415.0low000110
iproclozidearomatic ether2010201014.0medium000100
megestrol17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone
antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
201620168.0low000010
cephaloglycinbeta-lactam antibiotic allergen;
cephalosporin
antimicrobial agent2008200816.0low000100
tranylcypromine2-phenylcyclopropan-1-amine2004201216.0low000110
streptomycinantibiotic antifungal drug;
antibiotic fungicide;
streptomycins
antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
2008201612.7low000210
cladribineorganochlorine compound;
purine 2'-deoxyribonucleoside
antineoplastic agent;
immunosuppressive agent
2004201613.2low000220
beclomethasone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-asthmatic drug;
anti-inflammatory drug
2004201214.7medium000120
carbenicillinpenicillin allergen;
penicillin
antibacterial drug201620168.0low000010
carbenicillin disodiumorganic sodium salt2010201014.0low000100
dehydroemetinearomatic ether;
isoquinolines;
pyridoisoquinoline
antileishmanial agent;
antimalarial;
antiprotozoal drug
2010201014.0low000100
estradiol enanthatesteroid ester2004200420.0low000100
noxiptilinorganic tricyclic compound2008200816.0medium000100
benorilatecarbonyl compound2008201015.0medium000200
trimetazidinearomatic amine2010201014.0low000100
metocurineisoquinolines2008201313.5low000110
floxacillinpenicillin allergen;
penicillin
antibacterial drug2008201214.0low000210
clomacranacridines2008201612.0medium000110
vidarabinebeta-D-arabinoside;
purine nucleoside
antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
2010201014.0low000100
iprindoleindoles2008200816.0low000100
betamethasone-17,21-dipropionate11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
propanoate ester;
steroid ester
antipsoriatic2004200420.0low000100
methenamine hippurateN-acylglycine201620168.0low000010
isometheptenesecondary amino compound2008200816.0low000100
olsalazineazobenzenes;
dicarboxylic acid
non-steroidal anti-inflammatory drug;
prodrug
2004201614.7low000210
tiadenolaliphatic sulfide2010201014.0low000100
terodilinediarylmethane2011201113.0low000010
etidronate disodiumorganic sodium saltantineoplastic agent;
bone density conservation agent;
chelator
2013201311.0low000010
molindoneindoles2003200818.5low000200
heliummonoatomic helium;
noble gas atom;
s-block element atom
food packaging gas2008200816.0low000100
zalcitabinepyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2000201317.2low001210
hexocycliumamine2008200816.0low000100
camptothecindelta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
2006201314.3low000210
sodium thiosulfateinorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
201620168.0low000010
ancitabinediol;
organic heterotricyclic compound
antimetabolite;
antineoplastic agent;
prodrug
2008200816.0low000100
clortermineamphetamines2008200816.0medium000100
stanozolol17beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol
anabolic agent;
androgen
2010201014.0low000100
clodronic acid1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound
antineoplastic agent;
bone density conservation agent
2010201014.0low000100
nicofuranoseorganooxygen compound2008200816.0medium000100
mafenide acetatecarboxylic acid2013201311.0medium000010
(1S,2R)-tranylcypromine2-phenylcyclopropan-1-amine2012201212.0low000010
apazonebenzotriazinesnon-steroidal anti-inflammatory drug;
uricosuric drug
2008200816.0low000100
diacereinanthraquinone2013201311.0low000010
parbendazolebenzimidazoles;
carbamate ester
2012201212.0low000010
cloforexamphetamines2008200816.0low000100
xipamidebenzamides2010201014.0low000100
selegilineselegiline;
terminal acetylenic compound
geroprotector2000201614.9low001430
selegiline hydrochloride, (r)-isomerhydrochloride;
terminal acetylenic compound
antiparkinson drug;
dopaminergic agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor
2013201311.0low000010
levamisole6-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
2004201216.0low000410
clobutinolbenzenes;
organic amino compound
2008200816.0low000100
clemastinemonochlorobenzenes;
N-alkylpyrrolidine
anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
2000202012.0low001030
thiamphenicolmonocarboxylic acid amide;
sulfone
antimicrobial agent;
immunosuppressive agent
2008201313.7low000210
pancuronium bromidebromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist
2013201311.0medium000010
pizotylinebenzocycloheptathiophenehistamine antagonist;
muscarinic antagonist;
serotonergic antagonist
2010201014.0low000100
cephalexinbeta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative
antibacterial drug2004201612.7low000120
isosorbide-5-mononitrateglucitol derivative;
nitrate ester
nitric oxide donor;
vasodilator agent
2004201016.7low000300
ornidazoleC-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol
antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
2013201311.0low000010
edifenphosorganic thiophosphateantifungal agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin;
phospholipid biosynthesis inhibitor
2011201113.0low000010
danazol17beta-hydroxy steroid;
terminal acetylenic compound
anti-estrogen;
estrogen antagonist;
geroprotector
2004201612.8low000240
metergolinecarbamate ester;
ergoline alkaloid
dopamine agonist;
geroprotector;
serotonergic antagonist
1996201220.0low001010
clonixinaminopyridine;
organochlorine compound;
pyridinemonocarboxylic acid
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent
2005200519.0low000100
fenclozic acid2012201610.0low000020
lisuridemonocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist
2009200915.0low000100
laxagetten 4,4'-diacetoxydiphenylpyridylemethane201620168.0medium000010
1-deoxynojirimycin2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid
anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite
202020204.0low000010
daunorubicinaminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones
antineoplastic agent;
bacterial metabolite
2004202011.5low000220
razoxaneN-alkylpiperazine2008200816.0low000100
capobenic acidbenzamides2012201212.0low000010
cephapirincephalosporinantibacterial drug2004200420.0low000100
diftalone2012201212.0low000010
fludarabine phosphatenucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate
antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
2008201611.7low000120
alclofenacaromatic ether;
monocarboxylic acid;
monochlorobenzenes
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
201620168.0medium000010
carbimazole1,3-dihydroimidazole-2-thiones;
carbamate ester
antithyroid drug;
prodrug
2010201212.7low000120
bromocriptineindole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
1996201617.8low001310
pyrrolidineazacycloalkane;
pyrrolidines;
saturated organic heteromonocyclic parent
2014201410.0low000010
triamcinolone11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
2010201213.0low000110
oxyphenisatinindoles2010201611.0medium000110
chloroprenechloroolefin2008200816.0low000100
tetrachloroethylenechlorocarbon;
chloroethenes
nephrotoxic agent2008201015.0low000200
fludrocortisone11beta-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
201620168.0low000010
ursodeoxycholic acidbile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
2004201613.5low000220
butylated hydroxytoluenephenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector
2012201212.0low000010
pyreneortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
2008200816.0low000100
metipranololacetate ester;
aromatic ether;
propanolamine;
secondary amino compound
anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
2004201415.0low000110
proquazonepyrimidines2008200816.0low000100
benzonidazoleC-nitro compound;
imidazoles;
monocarboxylic acid amide
antiprotozoal drug2013201311.0low000010
halazepamorganic molecular entity2004200818.0low000200
butachloraromatic amide;
organochlorine compound;
tertiary carboxamide
environmental contaminant;
herbicide;
xenobiotic
2010201014.0low000100
du-21220benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
2000200422.0low001100
rose bengal b disodium salt2010201213.0medium000110
propamocarbcarbamate ester;
carbamate fungicide;
tertiary amino compound
antifungal agrochemical;
environmental contaminant;
xenobiotic
2014201410.0low000010
glutamic acidglutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
2010201014.0low000100
dexchlorpheniraminechlorphenamine201620168.0low000010
clometacinN-acylindole201620168.0low000010
cefazolinbeta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles
antibacterial drug2004201614.5low000310
ripazepambenzenes2008200816.0medium000100
amoxicillinpenicillin allergen;
penicillin
antibacterial drug2004201612.9low000350
timololtimololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
2000201614.7low001330
indoramintryptamines2000201315.8low001120
nicergolineorganic heterotetracyclic compound;
organonitrogen heterocyclic compound
2010201014.0low000100
oxcarbazepinecyclic ketone;
dibenzoazepine
anticonvulsant;
drug allergen
2010201611.8low000220
carbidopacatechols;
hydrazines;
monocarboxylic acid
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
2012201610.3medium000030
moricizinecarbamate ester;
morpholines;
phenothiazines
anti-arrhythmia drug2000201617.0low001210
amineptinamino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound
antidepressant;
dopamine uptake inhibitor
2010201611.0low000110
bitolterolcarboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug
2004200420.0low000100
zidovudineazide;
pyrimidine 2',3'-dideoxyribonucleoside
antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2000201615.5low001430
feprazoneorganic molecular entity2008201313.5low000110
pirprofenpyrroline2010201611.3low000120
medifoxaminearomatic ether2000200024.0low001000
tobramycinamino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
2004201315.2low000310
paclitaxeltaxane diterpenoid;
tetracyclic diterpenoid
antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
2004201614.2low000320
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
2004201614.3low000430
dobutaminecatecholamine;
secondary amine
beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
2000201615.6low001220
phenyl-2-aminoethyl sulfide2014201410.0medium000010
halofantrinephenanthrenes2003201117.0low000410
butaclamolorganic heteropentacyclic compound1998201418.0low001010
butaclamolamino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound
dopaminergic antagonist201520159.0low000010
penbutololethanolamines2000201617.3low001110
etidocaineamino acid amidelocal anaesthetic2008200816.0low000100
ribavirin1-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
2004202012.2low000330
miloxacinquinolines2008200816.0low000100
amikacinalpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide
antibacterial drug;
antimicrobial agent;
nephrotoxin
2008201612.2low000220
tolamolol2014201410.0low000010
carbidopacatechols;
hydrate;
hydrazines;
monocarboxylic acid
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
2010201014.0low000100
cephradinebeta-lactam antibiotic allergen;
cephalosporin
antibacterial drug201620168.0low000010
ticrynafenaromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes
antihypertensive agent;
hepatotoxic agent;
loop diuretic
2010201611.8low000130
guanadrelguanidines;
spiroketal
adrenergic antagonist;
antihypertensive agent
2004200420.0low000100
methyldopaL-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
2004201613.1low000340
tocainidemonocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker
2000200422.0low001100
bezafibratearomatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
2010201213.0low000110
sq-117252000201417.0low001210
diltiazem5-[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
2000201615.5low001540
levobunololaromatic ether;
cyclic ketone;
propanolamine
antiglaucoma drug;
beta-adrenergic antagonist
2004200420.0low000100
vecuronium bromideorganic bromide salt;
quaternary ammonium salt
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
2004201315.5low000110
vecuroniumacetate ester;
androstane;
quaternary ammonium ion
drug allergen;
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
201620168.0medium000010
benoxaprofen1,3-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
2010201611.3low000120
permethrincyclopropanecarboxylate ester;
cyclopropanes
agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
2004201017.0low000200
exifonebenzophenones201620168.0low000010
pirfenidonepyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2010201014.0low000100
mefloquine[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial201620168.0low000010
desogestrel17beta-hydroxy steroid;
terminal acetylenic compound
contraceptive drug;
progestin;
synthetic oral contraceptive
2010201014.0low000100
meptazinolazepanes2000201019.0low001100
muzoliminedichlorobenzene2010201014.0low000100
nitazoxanidebenzamides;
carboxylic ester
201320207.7low000030
sufentanilanilide;
ether;
piperidines;
thiophenes
anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
2004201612.7low000120
acarbosetetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
201320169.5low000020
torsemideaminopyridine;
N-sulfonylurea;
secondary amino compound
antihypertensive agent;
loop diuretic
2004201613.0low000130
epirubicinaminoglycoside;
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
2005201614.2low000310
cefmetazolecephalosporinantibacterial drug2004200420.0low000100
desfluraneorganofluorine compoundinhalation anaesthetic2004201017.0low000200
prenalterolaromatic ether2000200820.0low001100
Flampropbenzamides2014201410.0medium000010
lorcainideacetamides2000201317.0low001110
idarubicinanthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
2004201614.7low000210
cefonicidcephalosporinantibacterial drug2004200420.0low000100
piperacillinpenicillin allergen;
penicillin
antibacterial drug2004201613.5low000220
paroxetinearomatic ether;
benzodioxoles;
organofluorine compound;
piperidines
antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
2000201615.0low001630
captoprilalkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2000202013.5low001230
progabidediarylmethane2010201014.0low000100
cefoperazonecephalosporinantibacterial drug2004201613.5low000220
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
2013201311.0low000010
foscarnet sodiumone-carbon compound;
organic sodium salt
antiviral drug2010201312.5low000110
lodoxamideorganonitrogen compound;
organooxygen compound
2004200420.0low000100
indalpineindoles2012201212.0low000010
atracuriumdiester;
quaternary ammonium ion
muscle relaxant;
nicotinic antagonist
2004201614.7low000210
atracurium besylateorganosulfonate salt;
quaternary ammonium salt
muscle relaxant;
nicotinic antagonist
2013201311.0medium000010
butoconazolearyl sulfide;
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
2004200420.0low000100
moxalactamcephalosporin;
oxacephem
antibacterial drug2010201014.0low000100
lidamidineureas2012201212.0low000010
nicorandilnitrate ester;
pyridinecarboxamide
potassium channel opener;
vasodilator agent
2010201312.5low000110
naftifineallylamine antifungal drug;
naphthalenes;
tertiary amine
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
sterol biosynthesis inhibitor
2004200420.0low000100
pergolidediamine;
methyl sulfide;
organic heterotetracyclic compound
antiparkinson drug;
dopamine agonist
2004201614.3low000420
pergolide mesylatemethanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector
2013201311.0low000010
bicifadine2011201113.0low000010
cefadroxil anhydrouscephalosporinantibacterial drug2004201613.2low000220
encainidebenzamides;
piperidines
anti-arrhythmia drug;
sodium channel blocker
2000201019.3low001200
talniflumatebenzofurans2012201311.5low000020
fluperlapinebenzazepine1994200525.7low002100
fenoldopam mesylatebenzazepine2013201311.0medium000010
nedocromildicarboxylic acid;
organic heterotricyclic compound
anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug
2004201216.0low000110
fialuridine201620168.0low000010
doxofyllineoxopurineanti-asthmatic drug;
antitussive;
bronchodilator agent
2008200816.0low000100
cefaclor anhydrouscephalosporinantibacterial drug;
drug allergen
2004201613.2low000220
pefloxacinfluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone
antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
2013201311.0low000010
alfentanilmonocarboxylic acid amide;
piperidines
central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
2004201615.0low000310
miglustatpiperidines;
tertiary amino compound
anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
2010201611.0low000110
haloperidol decanoateorganic molecular entity201620168.0low000010
dazoxiben2012201212.0low000010
cefotetan2004201613.8low000320
lovastatindelta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
2000202013.9low001340
flupirtineaminopyridine2010201312.5low000110
tolrestatnaphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor2012201610.0low000020
rimcazolecarbazoles202020204.0low000010
enoximonearomatic ketone2000201316.3low001110
steproninN-acyl-amino acid2013201311.0low000010
piritrexim2010201014.0low000100
levocabastinepiperidines2004200420.0low000100
simvastatindelta-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
2000201614.9low001340
idazoxanbenzodioxine;
imidazolines
alpha-adrenergic antagonist2013201311.0low000010
remoxipridedimethoxybenzene2009201412.3low000240
balsalazide201620168.0low000010
pravastatin3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)
anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
2004201614.2low000330
cabergolineN-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
2004201613.0low000120
atomoxetine hydrochloridehydrochlorideadrenergic uptake inhibitor;
antidepressant
2010201312.5low000110
atomoxetinearomatic ether;
secondary amino compound;
toluenes
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
2010201610.7low000120
quinaprildicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2004201613.5low000330
alpidemimidazoles2010201611.5low000130
gepironeN-arylpiperazine2009201014.5low000200
mifepristone3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound
abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
2010201611.0low000120
dopexaminecatecholamine2012201212.0low000010
tiospirone1994200027.0medium004000
lonapalenenaphthalenes;
organochlorine compound
2012201212.0low000010
fosphenytoinimidazolidine-2,4-dione2004201614.0low000110
salmeterol xinafoatenaphthoic acid2013201311.0low000010
ranolazinearomatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol
201620168.0low000010
ipsapironeN-arylpiperazine1998201217.7low001110
flesinoxan1998199826.0low001000
finasteride3-oxo steroid;
aza-steroid;
delta-lactam
androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
2004201612.8low000130
imiquimodimidazoquinolineantineoplastic agent;
interferon inducer
2013201311.0low000010
sematilide2012201212.0low000010
esmololaromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
2004201614.7low000210
sertindoleheteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole
alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
1996201418.8low004930
adapaleneadamantanes;
monocarboxylic acid;
naphthoic acid
dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
2004201315.5low000110
adefovir6-aminopurines;
ether;
phosphonic acids
antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
201620168.0low000010
aromasil17-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
2006201612.3low000120
sparfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
2003201316.8low000510
zileuton1-benzothiophenes;
ureas
anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
2004201612.8low000240
remacemidestilbenoid2012201212.0low000010
clopidogrelmethyl ester;
monochlorobenzenes;
thienopyridine
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
2010201611.7low000120
cidofovir anhydrousphosphonic acids;
pyrimidone
anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
2004201613.2low000220
tiagabinebeta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes
anticonvulsant;
GABA reuptake inhibitor
2008201612.7low000210
mibefradiltetralinsT-type calcium channel blocker2000200820.0low001300
topotecanpyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
2004201614.0low000110
bromfenacaromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2000201613.8low001130
gemcitabine hydrochloridehydrochloride;
organofluorine compound
anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
immunosuppressive agent;
radiosensitizing agent
2013201311.0low000010
gemcitabineorganofluorine 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
2004201614.0low000110
ibutilidebenzenes;
organic amino compound
2003201616.2low000420
fananserinnaphthalenes;
sulfonic acid derivative
2001200919.0low000200
aripiprazolearomatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
2003201613.6low000960
remifentanilalpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative
2004201614.0low000110
atorvastatin calcium anhydrousorganic calcium salt2013201311.0low000010
atorvastatinaromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)
environmental contaminant;
xenobiotic
2004201613.6low000440
lamivudinemonothioacetal;
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
2004201613.8low000320
duloxetine hydrochlorideduloxetine hydrochlorideantidepressant2013201311.0low000010
duloxetineduloxetine2010201612.0low000210
irinotecancarbamate 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
2004201613.0low000220
valsartanbiphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
2004201612.9low000250
ibandronic acid201620168.0low000010
ziprasidone1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines
antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
1996201917.9low0041730
zolmitriptanoxazolidinone;
tryptamines
anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
2010201611.0low000120
adefovir dipivoxil6-aminopurines;
carbonate ester;
ether;
organic phosphonate
antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
2010201312.5low000110
emtricitabinemonothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone
antiviral drug;
HIV-1 reverse transcriptase inhibitor
201320169.5low000020
tasosartanbiphenyls201620168.0low000010
tiludronic acidorganochlorine compound201620168.0low000010
tirofibanL-tyrosine derivative;
piperidines;
sulfonamide
anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
201620168.0low000010
capecitabinecarbamate ester;
cytidines;
organofluorine compound
antimetabolite;
antineoplastic agent;
prodrug
2010201611.0low000110
adenosineadenosines;
purines D-ribonucleoside
analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
2004201614.5low000310
d-lactic acid2-hydroxypropanoic acidEscherichia coli metabolite;
human metabolite
2014201410.0low000010
octyl glucosidebeta-D-glucosideplant metabolite2007200717.0low000100
paroxetine hydrochloridehydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
2012201311.5medium000020
bupropion hydrochloridearomatic ketone2013201311.0low000010
halofuginonequinazolines2010201014.0low000100
trazodone hydrochloridehydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
2013201311.0low000010
ortho-cept2010201014.0low000100
trovafloxacin201420169.0low000020
verapamil hydrochloride2012201212.0low000010
cefprozilcephalosporin;
semisynthetic derivative
antibacterial drug2004201614.0high000210
doxazosin mesylatemethanesulfonate saltgeroprotector2013201311.0low000010
methylprednisolone aceponatecorticosteroid hormone2004200420.0low000100
dexamethasone 17-valerate21-hydroxy steroid2004200420.0low000100
dexamethasone dipropionatecorticosteroid hormone2004200420.0low000100
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenolstilbenoid2010201014.0low000100
efavirenzacetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2010201611.0low000120
nelfinaviraryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound
antineoplastic agent;
HIV protease inhibitor
2010201611.0low000120
doxapram hydrochloridehydrochloridecentral nervous system stimulant2010201014.0medium000100
mevastatin2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite
2006201314.5low000110
bupivacaine hydrochloridehydrochloride;
racemate
adrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic
2013201311.0low000010
fenofibric acidaromatic ketone;
chlorobenzophenone;
monocarboxylic acid
drug metabolite;
marine xenobiotic metabolite
201620168.0low000010
1,5-anhydroglucitolanhydro sugarhuman metabolite2010201014.0low000100
betulinic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
2010201014.0low000100
plerixaforazacycloalkane;
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
201320169.5low000020
amprenavircarbamate ester;
sulfonamide;
tetrahydrofuryl ester
antiviral drug;
HIV protease inhibitor
2010201611.0low000120
oseltamiviracetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound
antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
201620168.0low000010
ticlopidine hydrochloridehydrochloride2013201311.0low000010
epirubicin hydrochloride2013201311.0medium000010
glutathione disulfideglutathione derivative;
organic disulfide
Escherichia coli metabolite;
mouse metabolite
2010201014.0low000100
fenclofenacaromatic ether2012201212.0low000010
iopamidolbenzenedicarboxamide;
organoiodine compound;
pentol
environmental contaminant;
radioopaque medium;
xenobiotic
2004200420.0low000100
proxicromil2012201212.0low000010
histamine phosphatephosphate salthistamine agonist201620168.0low000010
tilbroquinolorganohalogen compound;
quinolines
201620168.0medium000010
bendamustinebenzimidazoles2010201611.0low000110
erdosteineN-acyl-amino acid2010201014.0low000100
droxicamorganic heterotricyclic compound;
pyridines
cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug
201620168.0low000010
ceftezolecephalosporin;
thiadiazoles
2008200816.0low000100
esreboxetinearomatic ether2009200915.0low000100
inaperisonearomatic ketone2008200816.0low000100
ebrotidinesulfonamide201620168.0low000010
torbafylline2012201212.0low000010
mizolastinebenzimidazoles2003201116.6low000410
terikalantpiperidines2003200818.7low000300
intoplicinepyridoindole2010201014.0low000100
pazufloxacinquinolines2013201311.0low000010
repaglinidepiperidines201320169.5low000020
telmisartanbenzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
2010201611.0low000120
hexestrol bis(diethylaminoethyl ether)stilbenoid2008200816.0low000100
dexfenfluraminefenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
2004201016.0low000300
2-methoxyestradiol17beta-hydroxy steroid;
3-hydroxy steroid
angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
2010201014.0low000100
4-phenylbenzoic acid2008200816.0low000100
thiamorpholinesaturated organic heteromonocyclic parent;
thiomorpholines
2014201410.0low000010
miconazole nitrate2013201311.0low000010
disobutamideacetamides2008200816.0low000100
medetomidineimidazoles2010201014.0low000100
sertralinedichlorobenzene;
secondary amino compound;
tetralins
antidepressant;
serotonin uptake inhibitor
2004201614.2low000530
picosulfate sodiumaryl sulfate;
pyridines
2010201014.0low000100
rilmenidineisourea2000200024.0low001000
zoledronic acid1,1-bis(phosphonic acid);
imidazoles
bone density conservation agent201320169.5low000020
budipinediarylmethane2011201113.0low000010
artemisininorganic peroxide;
sesquiterpene lactone
antimalarial;
plant metabolite
2013201311.0low000010
brinzolamidesulfonamide;
thienothiazine
antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2013201311.0low000010
mesulergineergot alkaloid;
sulfamides
antiparkinson drug;
dopamine agonist;
serotonergic antagonist
1996200923.0low002100
dienogest17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
aliphatic nitrile;
steroid hormone
progesterone receptor agonist;
progestin;
synthetic oral contraceptive
2010201014.0low000100
tianeptinedibenzothiazepine;
monocarboxylic acid;
organochlorine compound
2010201014.0low000100
drospirenone3-oxo-Delta(4) steroid;
steroid lactone
aldosterone antagonist;
contraceptive drug;
progestin
2013201311.0low000010
artemetherartemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid
antimalarial2013201311.0low000010
glycyl-glycyl-glycyl-glycine2014201410.0low000010
morphazinamidemorpholines;
pyrazines;
secondary carboxamide
2010201014.0low000100
dipropylacetamidefatty amidegeroprotector;
metabolite;
teratogenic agent
2008200816.0low000100
acamprosateacetamides;
organosulfonic acid
environmental contaminant;
neurotransmitter agent;
xenobiotic
201620168.0low000010
isaxonineaminopyrimidine201620168.0low000010
enrofloxacincyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone
antibacterial agent;
antimicrobial agent;
antineoplastic agent
2012201212.0low000010
diprafenonearomatic compound2000200024.0low001000
metaclazepambenzodiazepine2010201014.0low000100
erythromycin propionateerythromycin derivative2004200420.0low000100
nebivololchromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
201420169.0high000020
uk 68798aromatic ether;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
potassium channel blocker
2000201615.4low001340
hp 8731,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
1996201615.7low001020
dexrazoxanerazoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
2004201614.0low000210
loxapine succinatesuccinate saltgeroprotector2013201311.0low000010
fenoxypropazinearomatic ether201620168.0low000010
antebatecorticosteroid hormone2004200420.0low000100
voriconazoleconazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug
P450 inhibitor2010201611.0low000120
betamipronorganonitrogen compound;
organooxygen compound
2013201311.0low000010
mepindololindoles2012201212.0low000010
fpl 527912012201212.0medium000010
bufuralolbenzofurans2000200024.0low001000
carazololcarbazoles2014201410.0low000010
uroxatralhydrochloride2013201311.0low000010
aceclofenacamino 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
201320169.5low000020
mdl 11939primary amine2001200123.0low000100
clociguanil2008200816.0medium000100
nitrefazoleimidazoles201620168.0low000010
epanololacetamides2000201218.0low001010
cyclobutyrolhydroxy monocarboxylic acidbile therapy drug2010201014.0medium000100
thiocolchicosideglycoside2013201311.0low000010
terlipressinpolypeptide2010201014.0low000100
methotrimeprazinephenothiazines;
tertiary amine
anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
2000201415.3low001020
isoflavoneisoflavones2010201014.0medium000100
clevudine2010201014.0low000100
lividomycinlividomycinsmetabolite2008200816.0low000100
gentamicin c12008200816.0low000100
grepafloxacinfluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
2003201117.2low000310
oleandomycinoleandomycins2014201410.0medium000010
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide2008200816.0medium000100
tetrandrinebisbenzylisoquinoline alkaloid;
isoquinolines
2010201014.0low000100
doripenemcarbapenems201320169.5low000020
atovaquonehydroxy-1,2-naphthoquinone2000201617.8low001210
phenylalanyl-phenylalanyl-phenylalanineoligopeptide2014201410.0medium000010
3-(4-methoxybenzoyl)propionic acid2014201410.0medium000010
dimethylaminopropanol2014201410.0medium000010
rivastigminecarbamate ester;
tertiary amino compound
cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
201420169.0low000020
frovatriptancarbazoles201620168.0low000010
eletriptanindoles;
N-alkylpyrrolidine;
sulfone
non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
2010201611.0low000110
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
2006201612.6low000250
tamifluphosphate salt2013201311.0low000010
bexarotenebenzoic acids;
naphthalenes;
retinoid
antineoplastic agent201320169.5low000020
s20098acetamides2013201311.0low000010
flunisolide11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone
anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent
2004201314.3low000120
4-phenylbutylaminebenzenes;
phenylalkylamine;
primary amino compound
2014201410.0low000010
ketorolac tromethamineorganoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
2013201311.0low000010
clarithromycinmacrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
2003201614.7low000640
glycinexylidideamino acid amidedrug metabolite2014201410.0low000010
Trp-TrpdipeptideMycoplasma genitalium metabolite2014201410.0low000010
kampironeN-arylpiperazine2014201410.0low000010
nicotine3-(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
2000201416.1low001830
moexiprilpeptide2004201614.7low000210
tandospironebridged compound;
dicarboximide;
N-alkylpiperazine;
N-arylpiperazine;
pyrimidines
antidepressant;
anxiolytic drug
1998199826.0low001000
sennoside Boxo dicarboxylic acid;
sennosides
2008200816.0medium000100
gliquidoneisoquinolines2013201311.0low000010
levobupivacaine1-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
2011201113.0low000010
lekoptin2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile202020204.0low000010
mci 9038peptide201620168.0low000010
lopinaviramphetamines;
dicarboxylic acid diamide
anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
2010201312.7low000120
isopelletierinecitraconoyl group2014201410.0low000010
fenpropimorphalkylbenzene2014201410.0low000010
levcromakalim1-benzopyran2012201212.0low000010
dimethacrineacridines2008200816.0medium000100
1-(2-pyridinyl)piperazine2014201410.0low000010
glucuronic acidD-glucuronic acidalgal metabolite2007200717.0low000100
moxifloxacin hydrochloridehydrochlorideantibacterial drug2013201311.0low000010
methyl mannoside, (alpha-d)-isomeralpha-D-mannoside;
methyl mannoside
2007200717.0low000100
hexylcaine hydrochloride2012201212.0low000010
fulvestrant17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide
antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
2006201612.3low000120
mizoribineimidazolesanticoronaviral agent2013201311.0low000010
imipenem, anhydrousbeta-lactam antibiotic allergen;
carbapenems;
zwitterion
antibacterial drug2012201212.0low000010
sn 38delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
2005200519.0low000100
sr141716amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles
anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
2010201312.3low000120
bosentan anhydrousprimary alcohol;
pyrimidines;
sulfonamide
antihypertensive agent;
endothelin receptor antagonist
2010201611.2low000130
ecgonine methyl estermethyl ester;
tertiary amino compound;
tropane alkaloid
analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug
2011201113.0low000010
fpl 55712aromatic ketone2012201212.0low000010
selenomethionineamino acid zwitterion;
selenomethionine
plant metabolite2010201014.0medium000100
l-lactic acid(2S)-2-hydroxy monocarboxylic acid;
2-hydroxypropanoic acid
Escherichia coli metabolite;
human metabolite
2014201410.0medium000010
sivelestatN-acylglycine;
pivalate ester
2012201212.0low000010
racecadotrilN-acyl-amino acid2013201311.0low000010
perindoprilalpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2008201612.7low000210
fingolimodaminodiol;
primary amino compound
antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
2010201014.0low000100
6-chloro-2-(1-piperazinyl)pyrazineN-arylpiperazine2009200915.0low000100
5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indoleindoles1996199827.0low002000
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanolN-arylpiperazine1998199826.0low001000
ecteinascidin 743acetate 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
2010201014.0low000100
tadalafilbenzodioxoles;
pyrazinopyridoindole
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
2006201612.3low000120
5-hydroxydopaminecatecholamine2008200816.0low000100
ibuprofen, (r)-isomeribuprofen2014201410.0medium000010
norbuprenorphinephenanthrenes2005200519.0low000100
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine2005200519.0low000100
paliperidone1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
2009201612.0medium000120
nitisinone(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor2010201611.0low000110
plavixazaheterocycle sulfate salt;
organoammonium sulfate salt
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
2013201311.0medium000010
marimastathydroxamic acid;
secondary carboxamide
antineoplastic agent;
matrix metalloproteinase inhibitor
2010201014.0low000100
clofarabineadenosines;
organofluorine compound
antimetabolite;
antineoplastic agent
2010201611.0low000120
pramipexolebenzothiazoles;
diamine
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
2010201611.0low000120
mosapridearomatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound
2011201113.0low000010
deramciclane2014201410.0low000010
valdecoxibisoxazoles;
sulfonamide
antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2006201612.3low000120
293b cpd1-benzopyran2004200420.0low000100
mitiglinidebenzenes;
monocarboxylic acid
2010201014.0low000100
ezogabinecarbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline
anticonvulsant;
potassium channel modulator
2005200519.0low000100
fpl-526942012201212.0low000010
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline
geroprotector;
serotonergic agonist
1998199826.0low001000
uh 3011998200920.5low001100
ici 1693691996199628.0low001000
5-(dimethylamino)-n-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamidenaphthalenes;
sulfonic acid derivative
2004200420.0low000100
imatinib mesylatemethanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
2010201014.0low000100
almotriptanindoles;
sulfonamide;
tertiary amine
non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
201620168.0low000010
tecastemizole2003200818.5medium000200
mk 0663bipyridines;
organochlorine compound;
sulfone
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2013201311.0low000010
tazobactampenicillanic acids;
triazoles
antiinfective agent;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
2008200816.0low000100
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
2010201611.0low000120
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosineadenosines;
monocarboxylic acid amide;
organoiodine compound
adenosine A3 receptor agonist2010201014.0low000100
ramatrobanorganic molecular entity2012201212.0low000010
desloratadinebenzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
201320169.5low000020
desvenlafaxinecyclohexanols;
phenols;
tertiary amino compound
antidepressant;
drug metabolite;
marine xenobiotic metabolite
201620168.0low000010
r-1-(6-(r-2-carboxypyrrolidin-1-yl)-6-oxohexanoyl)pyrrolidine-2-carboxylic acid2004200420.0low000100
bd 1008primary amine202020204.0low000010
methotrexatedicarboxylic 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
2000201614.4low001340
fg 58931998199826.0medium001000
xaliproden(trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine
serotonergic agonist2012201212.0low000010
tamsulosin5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
201620168.0low000010
rufinamidearomatic amide;
heteroarene
201620168.0low000010
antiprimod2010201014.0low000100
n-isobutyrylcysteine2012201212.0low000010
sulbactampenicillanic acids2010201312.5low000110
nonyl-4-hydroxyquinoline-n-oxide201920195.0low000010
olmesartan medoxomilbiphenyls2010201611.0low000120
dexpanthenolamino alcohol;
monocarboxylic acid amide
cholinergic drug;
provitamin
2012201610.0low000020
fosamprenavirsulfonamideprodrug201620168.0low000010
s 146711998199826.0medium001000
quilostigminepyrroloindole2012201212.0medium000010
ilomastathydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
2010201014.0low000100
abiraterone3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines
antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
2013201311.0low000010
l 741742primary amine2001200123.0medium000100
sonepiprazole2001200123.0low000100
imiloxanbenzodioxine2012201212.0low000010
febuxostat1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile
EC 1.17.3.2 (xanthine oxidase) inhibitor201320169.5low000020
aspartamecarboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester
apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic
2012201411.0low000020
xyloseD-xylose2008200816.0low000100
tempolaminoxyls;
hydroxypiperidine
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger
2012201212.0low000010
cdri 81-4702008200816.0low000100
escitalopram1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileantidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
2010201611.0low000110
lexapro2013201311.0low000010
10-propargyl-10-deazaaminopterinN-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound
antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
201620168.0low000010
docetaxelhydrate;
secondary alpha-hydroxy ketone
antineoplastic agent2004201017.0low000200
docetaxel anhydroussecondary alpha-hydroxy ketone;
tetracyclic diterpenoid
antimalarial;
antineoplastic agent;
photosensitizing agent
201320169.5low000020
atazanavircarbohydrazideantiviral drug;
HIV protease inhibitor
2010201611.0low000110
levofloxacin9-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
2003201614.3low000660
ezetimibeazetidines;
beta-lactam;
organofluorine compound
anticholesteremic drug;
antilipemic drug;
antimetabolite
2005201613.0low000220
ertapenemcarbapenemcarboxylic acid;
pyrrolidinecarboxamide
antibacterial drug201620168.0low000010
cox 189amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
201320169.5low000020
conivaptanbenzazepineaquaretic;
vasopressin receptor antagonist
201620168.0low000010
cariporide2010201014.0low000100
tezosentan2010201014.0low000100
vatalanibmonochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
2012201212.0low000010
moxifloxacinaromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antibacterial drug2003201614.1low000440
vx 497202020204.0low000010
pralnacasan201620168.0low000010
clevidipinedihydropyridine2012201610.0low000020
jtt 5012010201014.0low000100
solifenacinisoquinolines201620168.0low000010
dexmethylphenidatemethyl phenyl(piperidin-2-yl)acetateadrenergic agent201620168.0medium000010
hyoscyaminetropane alkaloid2012201212.0low000020
xamoterolmorpholines2000201317.5low001010
desmethylastemizolebenzimidazoles2003200818.5medium000200
naproxenmethoxynaphthalene;
monocarboxylic acid
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
2000201614.4low001350
cinacalcet(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound
calcimimetic;
P450 inhibitor
201620168.0low000010
lactitolglycosyl alditolcathartic;
excipient;
laxative
2012201212.0low000010
lubiprostone201620168.0low000010
olmesartanbiphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
2011201212.5low000020
telbivudinepyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
201320169.5low000020
mdl 741562008201114.5medium000110
clofibridemonocarboxylic acid2008200816.0medium000100
cyc 2022,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
2006201016.0low000200
fpl 527572012201212.0medium000010
asenapine5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole1996200923.0low002100
zalospirone1998199826.0medium001000
paromomycinamino cyclitol glycoside;
aminoglycoside antibiotic
anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
2010201611.3low000120
anidulafunginantibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative
201620168.0low000010
avasimibemonoterpenoid2010201014.0low000100
aminopterindicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
2008200816.0low000100
17 alpha-hydroxyprogesterone caproatecorticosteroid hormone201620168.0low000010
varenicline201620168.0low000010
biotinbiotins;
vitamin B7
coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
2010201014.0low000100
angiotensin iiamino acid zwitterion;
angiotensin II
human metabolite2006200618.0low000100
fiduxosin201620168.0low000010
fpl 592572012201212.0medium000010
atropine2000201613.8low001340
ly 972412011201113.0low000010
ropivacainepiperidinecarboxamide;
ropivacaine
local anaesthetic2004201216.0low000110
sb 203580imidazoles;
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
2006200618.0low000100
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
2012201610.0low000020
zeneca zd 61692012201212.0low000010
l 694,4582008200816.0low000100
sibenadet2012201212.0low000010
emd 602632011201113.0low000010
ngd 94-12001200123.0low000100
carbocysteineL-cysteine thioether;
non-proteinogenic L-alpha-amino acid
mucolytic2008200816.0low000100
etravirineaminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound
antiviral agent;
HIV-1 reverse transcriptase inhibitor
201620168.0low000010
latrepirdinemethylpyridines;
pyridoindole
geroprotector2012201212.0low000010
troleandomycinacetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative
EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
2010201213.0low000110
yh 18852008200816.0low000100
dronedarone1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
environmental contaminant;
xenobiotic
2011201610.5low000020
ramelteonindanes2012201610.3low000030
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
2012201610.0low000020
bifeprunoxbiphenyls2010201014.0low000100
darunavircarbamate ester;
furofuran;
sulfonamide
antiviral drug;
HIV protease inhibitor
201620168.0low000010
deferasiroxbenzoic acids;
monocarboxylic acid;
phenols;
triazoles
iron chelator2010201611.0low000120
bms2043522005201315.0low000110
tbc-11251benzodioxoles2010201611.0low000120
tolvaptanbenzazepine;
benzenedicarboxamide
aquaretic;
vasopressin receptor antagonist
201320169.5low000020
sorafenib(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
2012201610.0low000020
lenalidomidearomatic amine;
dicarboximide;
isoindoles;
piperidones
angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
201320169.5low000020
regadenosonpurine nucleoside201620168.0low000010
lacosamideN-acyl-amino acid201320169.5low000020
sitosterol, (3beta)-isomer3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol
anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
2010201014.0low000100
estradiol 3-benzoate17beta-hydroxy steroid;
benzoate ester
estrogen receptor agonist;
xenoestrogen
2004200420.0low000100
cortisone11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
human metabolite;
mouse metabolite
2012201212.0low000010
dromostanolone propionate3-oxo-5alpha-steroid;
steroid ester
antineoplastic agent2008200816.0medium000100
vincaleukoblastineacetate 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
201320169.5low000020
5 alpha-androstane-3 beta,17 beta-diol17beta-hydroxy steroid;
3beta-hydroxy steroid;
androstane-3,17-diol
Daphnia magna metabolite;
human metabolite
2005200519.0low000100
vincristine sulfateorganic sulfate saltantineoplastic agent;
geroprotector
2013201311.0low000010
benzarone1-benzofurans2010201611.0low000110
estramustine17beta-hydroxy steroid;
carbamate ester;
organochlorine compound
alkylating agent;
antineoplastic agent;
radiation protective agent
2004201614.0low000210
phenethicillinpenicillin allergen;
penicillin
2008201412.7low000120
noscapinearomatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound
antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
2010201014.0low000100
homoharringtoninealkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
2010201014.0low000100
wortmanninacetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound
anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
2006201314.5low000110
menthofuran1-benzofurans;
monoterpenoid
nematicide;
plant metabolite
2012201212.0low000010
o-(chloroacetylcarbamoyl)fumagillolcarbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide
angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist
2010201014.0low000100
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
2010201611.0low000120
ritonavir1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas
antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
2004201613.2low000230
nexavarorganosulfonate salt2010201014.0low000100
rimiterolcatechols2000200024.0low001000
glucosamineD-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
2010201014.0low000100
5-hydroxytryptophan5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid
human metabolite;
mouse metabolite;
plant metabolite
201520159.0low000010
oxytocinheterodetic cyclic peptide;
peptide hormone
oxytocic;
vasodilator agent
201620168.0low000010
bekanamycinkanamycins2008200816.0low000100
ouabain11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone
anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
2012201212.0low000010
salicinaromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
2012201212.0low000010
pentostatincoformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
2004201613.0low000120
strychninemonoterpenoid indole alkaloid;
organic heteroheptacyclic compound
avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
2008200816.0low000100
quinidinecinchona 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
2000201615.6low001740
meropenemalpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide
antibacterial agent;
antibacterial drug;
drug allergen
2004201613.0low000230
griseofulvin1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound
antibacterial agent;
Penicillium metabolite
2004201614.5low000310
cefoxitinbeta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative
antibacterial drug2004201614.0low000110
digitoxincardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor2010201312.3low000120
saquinavirL-asparagine derivative;
quinolines
antiviral drug;
HIV protease inhibitor
2004201613.2low000220
pancuroniumacetate ester;
steroid ester
cholinergic antagonist;
muscle relaxant;
nicotinic antagonist
201620168.0low000010
abacavir2,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
201620168.0low000010
netilmicin2004201016.7low000300
trimethaphan camsylate2010201014.0low000100
perindopril erbumineaddition compoundantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2013201311.0medium000010
miglitolpiperidines201320169.5low000020
metyrosineL-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
2004201613.3medium000120
rocuronium bromideorganic bromide salt;
quaternary ammonium salt
muscle relaxant;
neuromuscular agent
2004201315.5high000110
mefloquine hydrochloride2003200321.0low000100
erythromycin estolateaminoglycoside sulfate salt;
erythromycin derivative
enzyme inhibitor2010201014.0low000100
terconazole1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine2004200420.0low000100
bacampicillinpenicillanic acid esterprodrug2004200420.0low000100
linezolidacetamides;
morpholines;
organofluorine compound;
oxazolidinone
antibacterial drug;
protein synthesis inhibitor
2012201610.3low000030
(S)-bicalutamideN-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide2012201212.0medium000010
norpseudoephedrineamphetamines;
phenethylamine alkaloid
central nervous system stimulant;
plant metabolite;
psychotropic drug
2014201410.0low000010
cyclopaminepiperidinesglioma-associated oncogene inhibitor2010201014.0low000100
acetylleucyl-leucyl-norleucinalaldehyde;
tripeptide
cysteine protease inhibitor2006200618.0low000100
devazepide1,4-benzodiazepinone;
indolecarboxamide
antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
2010201213.0low000110
clindamycin phosphate201620168.0low000010
hetacillinpenicillinantibacterial drug2008200816.0low000100
pemirolast potassium salt2013201311.0medium000010
eplerenone3-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester
aldosterone antagonist;
antihypertensive agent
201320169.5low000020
tolterodinetertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
2005201612.8low000220
doxorubicin hydrochlorideanthracycline2010201014.0low000100
halcinonideorganic molecular entitySMO receptor agonist2012201212.0low000010
metrizamideamino sugar2012201212.0low000010
medigoxincardenolide glycoside2008200816.0low000100
dironylorganic molecular entity2000200024.0low001000
erythromycin ethylsuccinatecyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester
2004201017.0low000200
vinpocetinealkaloidgeroprotector2014201410.0low000010
amcinonide11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal
anti-inflammatory drug2004200420.0low000100
betamethasone acetate11beta-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
2004200818.0medium000200
ao 128organic molecular entity2010201312.5low000110
loteprednol etabonate11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
etabonate ester;
organochlorine compound;
steroid acid ester;
steroid ester
anti-inflammatory drug2013201311.0low000010
darifenacin1-benzofurans;
monocarboxylic acid amide;
pyrrolidines
antispasmodic drug;
muscarinic antagonist
201620168.0low000010
fluticasone propionate11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester
adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug
2013201311.0low000010
acarboseamino cyclitol;
glycoside
2004201017.0low000200
e-z cinnamic acidcinnamic acidplant metabolite2014201410.0low000010
trichostatin aantibiotic antifungal agent;
hydroxamic acid;
trichostatin
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
2006200618.0low000100
tretinoinretinoic 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
2000201614.9low001340
retinolretinol;
vitamin A
human metabolite;
mouse metabolite;
plant metabolite
2008201612.7low000210
alpha-D-fructofuranose 1,6-bisphosphateD-fructofuranose 1,6-bisphosphate2010201014.0medium000100
docosahexaenoatedocosahexaenoic acid;
omega-3 fatty acid
algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
2010201014.0low000100
oleic acidoctadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
2010201014.0low000100
tacrolimusmacrolide lactambacterial metabolite;
immunosuppressive agent
2005201613.0low000220
cerivastatindihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
2006201015.3low000300
rosuvastatindihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide
anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
2006201613.3low000210
cocainebenzoate 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
2003201416.0low000510
eicosapentaenoic acidicosapentaenoic acid;
omega-3 fatty acid
anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
2010201014.0low000100
mycophenolic acid2-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
2004202013.0low000320
mupirocinalpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol
antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
2004201315.5low000110
clindamycin2008201612.7low000210
brivudine202020204.0low000010
fosfomycinepoxide;
phosphonic acids
antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
2004201614.0low000210
zithromaxmacrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
2004202012.6low000440
drf 27252010201014.0low000100
y 27632aromatic amide2006200618.0low000100
diethylstilbestrololefinic compound;
polyphenol
antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
2010201213.0low000110
octreotide201620168.0medium000010
epothilone aepothilone;
epoxide
antineoplastic agent;
metabolite;
microtubule-stabilising agent;
tubulin modulator
2006200618.0low000100
eptifibatidehomodetic cyclic peptide;
macrocycle;
organic disulfide
anticoagulant;
platelet aggregation inhibitor
201620168.0low000010
alitretinoinretinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
2010201014.0low000100
h 89N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide2006202011.0low000110
decitabine2'-deoxyribonucleoside2010201611.0low000120
teniposidearomatic 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
2004201613.2medium000220
valrubicinanthracycline;
trifluoroacetamide
2013201311.0low000010
cefamandolecephalosporin;
semisynthetic derivative
antibacterial drug2004201415.0low000110
dactinomycinactinomycinmutagen2004201613.5low000220
tiazofurin1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
2010201014.0low000100
melphalanL-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
2004201613.5low000330
benzyloxycarbonylleucyl-leucyl-leucine aldehydeamino aldehyde;
carbamate ester;
tripeptide
proteasome inhibitor2006200618.0low000100
tenofovirnucleoside analogue;
phosphonic acids
antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
2010201611.0low000110
posaconazolearomatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles
trypanocidal drug201320169.5low000020
dibekacinkanamycinsantibacterial agent;
protein synthesis inhibitor
2008200816.0low000100
rubitecanC-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
2010201312.5low000110
micafunginantibiotic antifungal drug;
echinocandin
antiinfective agent2010201611.0low000110
riboflavinflavin;
vitamin B2
anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
2008201612.7low000210
sodium bicarbonateone-carbon compound;
organic sodium salt
antacid;
food anticaking agent
2010201611.0low000110
sodium acetate, anhydrousorganic sodium saltNMR chemical shift reference compound2010201014.0low000100
sodium benzoateorganic sodium saltalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
2010201014.0low000100
arsenic trioxidearsenic oxideantineoplastic agent;
insecticide
201620168.0medium000010
dipyroneorganic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
2010201014.0low000100
ditiocarb sodiumorganic molecular entity2010201014.0low000100
artemisin2011201113.0low000010
sch 2221911beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
glucocorticoid;
propanoate ester;
steroid ester
anti-inflammatory drug2004200420.0low000100
sr 90107201620168.0medium000010
carbenoxolone2010201014.0low000100
meglumine iodipamideorganoammonium saltradioopaque medium201620168.0low000010
thyrotropin-releasing hormonepeptide hormone;
tripeptide
human metabolite201620168.0low000010
sorbic acidalpha,beta-unsaturated monocarboxylic acid;
sorbic acid
2014201410.0low000010
rauwolscinemethyl 17-hydroxy-20xi-yohimban-16-carboxylate2009201412.5low000110
discodermolidediterpenoid2010201014.0low000100
flavin mononucleotideflavin mononucleotide;
vitamin B2
bacterial metabolite;
coenzyme;
cofactor;
human metabolite;
mouse metabolite
2008200816.0medium000100
cannabidiololefinic compound;
phytocannabinoid;
resorcinols
antimicrobial agent;
plant metabolite
2010201014.0low000100
arginine vasopressinvasopressincardiovascular drug;
hematologic agent;
mitogen
201320169.5low000020
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
201620168.0low000010
mezlocillinpenicillin allergen;
penicillin
antibacterial drug2004200818.0low000200
trilostane17beta-hydroxy steroid;
3-hydroxy steroid;
androstanoid;
epoxy steroid;
nitrile
abortifacient;
antineoplastic agent;
EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
2013201311.0low000010
cholinophyllin2004200420.0low000100
mitobronitolalcohol;
organobromine compound
2008200816.0low000100
tropisetronindolyl carboxylic acid2010201014.0low000100
prednisolone hemisuccinate11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
hemisuccinate;
tertiary alpha-hydroxy ketone
anti-inflammatory drug2008200816.0low000100
leuprolide acetateacetate saltantineoplastic agent;
gonadotropin releasing hormone agonist
2013201311.0medium000010
leuprolideoligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
2012201212.0low000010
octotropine methylbromide2008200816.0low000100
fludarabinepurine nucleoside2004200420.0low000100
propylthiouracilpyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
2004201613.0low000230
nsc 43472008200816.0low000100
ipratropium bromide anhydrous2004200420.0low000100
ipratropium2012201212.0medium000010
prothionamidepyridines2010201014.0low000100
chlorprothixenechlorprothixene2012201212.0low000010
doxepin hydrochloride2014201410.0low000010
etomidateethyl ester;
imidazoles
intravenous anaesthetic;
sedative
2004201614.0low000320
mercaptopurinearyl thiol;
purines;
thiocarbonyl compound
anticoronaviral agent;
antimetabolite;
antineoplastic agent
2000201615.0low001330
methylthiouracilpyrimidone2012201212.0low000010
jrf 12202020204.0low000010
crotamiton2012201212.0low000010
levosulpiridesulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
2013201311.0low000010
pyrantel1,4,5,6-tetrahydropyrimidines;
carboxamidine;
thiophenes
antinematodal drug201620168.0low000010
lobeline2008200816.0medium000100
cotinineN-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid
antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
2008200816.0low000100
flunarizinediarylmethane2012201212.0low000010
thiothixeneN-methylpiperazineanticoronaviral agent2003201615.4medium000320
eszopiclonezopiclonecentral nervous system depressant;
sedative
201320169.5low000020
benztropinediarylmethane2004201614.0low000220
thiouracilnucleobase analogue;
thiocarbonyl compound
antithyroid drug;
metabolite
2008200816.0low000100
methimazole1,3-dihydroimidazole-2-thionesantithyroid drug2010201611.2low000130
cinnarizinediarylmethane;
N-alkylpiperazine;
olefinic compound
anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
2006201314.5low000110
sulindacmonocarboxylic 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
2004201612.8low000240
capsaicincapsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
2010201213.0low000110
enclomiphene2004200420.0low000100
zuclomiphenestilbenoid2011201113.0low000010
terbinafineacetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
2000201615.4low001420
epalrestatmonocarboxylic acid;
thiazolidines
EC 1.1.1.21 (aldehyde reductase) inhibitor2013201311.0low000010
1,4-benzoquinone guanylhydrazone thiosemicarbazone2008200816.0low000100
drotaverinisoquinolines2013201311.0low000010
4E2RCatorganic molecular entity202020204.0medium000010
thioguanine anhydrous2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
2004201614.0low000210
tacrine hydrochloride2010201014.0low000100
sodium propionateorganic sodium saltantifungal drug;
food preservative
2010201014.0low000100
succimerdicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid
chelator2004201614.0low000110
digoxincardenolide glycoside;
steroid saponin
anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
2008201613.0low000330
streptozocin2004201614.0medium000210
tamoxifenstilbenoid;
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
2004201613.8low000570
4-methylumbelliferyl glucosidebeta-D-glucoside;
coumarins;
monosaccharide derivative
chromogenic compound2014201410.0low000010
ethionamidepyridines;
thiocarboxamide
antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
2004201613.5low000220
jnj-52078522011201113.0low000010
cancidas201620168.0low000010
zeranolmacrolide2008200816.0low000100
fusidic acid11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester
EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor
2010201312.5low000110
scopolamine3-hydroxy carboxylic acid2012201212.0medium000010
lincomycincarbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound
antimicrobial agent;
bacterial metabolite
201620168.0low000010
valinomycincyclodepsipeptide;
macrocycle
antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
2013201311.0low000010
thiopentalbarbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
2008200816.0low000200
estrone sulfate17-oxo steroid;
steroid sulfate
human metabolite;
mouse metabolite
2010201014.0low000100
ranitidineC-nitro compound;
furans;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
2012201610.0low000020
aplaviroc201620168.0low000010
hmr 36472010201611.0low000120
latoconazoleconazole antifungal drug;
imidazole antifungal drug
2013201311.0low000010
maraviroctropane alkaloid2009201611.3low000120
toremifene citratestilbenoidanticoronaviral agent2013201311.0medium000010
toremifenearomatic ether;
organochlorine compound;
tertiary amine
antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
2006201614.0low000310
telaprevircyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
2010201014.0low000100
nelarabinebeta-D-arabinoside;
monosaccharide derivative;
purine nucleoside
antineoplastic agent;
DNA synthesis inhibitor;
prodrug
201320169.5low000020
4-diphenylacetoxy-n-methylpiperidine methiodideiodide salt;
quaternary ammonium salt
cholinergic antagonist;
muscarinic antagonist
2014201410.0low000010
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholinearomatic ether2010201014.0low000100
albutoinorganonitrogen compound;
organooxygen compound
2008200816.0medium000100
iodothiouracilorganohalogen compound;
pyrimidines
2008200816.0low000100
dermatan sulfateamino disaccharide;
glycosylgalactose derivative;
iduronic acids;
oligosaccharide sulfate
201620168.0low000010
dezocinephenols;
primary amino compound
opioid analgesic2004200420.0low000100
dapiprazoleN-alkylpiperazine;
N-arylpiperazine;
pyridines
alpha-adrenergic antagonist;
antipsychotic agent;
miotic;
ophthalmology drug
2004200420.0low000100
droloxifenestilbenoid2010201014.0low000100
raclopridesalicylamides1998200025.0low002000
dolasetronindolyl carboxylic acid2003201615.6low000410
or 1259hydrazone;
nitrile;
pyridazinone
anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent
2010201014.0low000100
almokalant2005201215.7low000210
gestodenesteroidestrogen2010201312.5low000110
orlistatbeta-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
2010201611.0low000120
idoxifenestilbenoid2010201014.0low000100
quininecinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
2000201613.0low001040
zofenoprilatearyl sulfide;
L-proline derivative;
N-acyl-L-amino acid;
thiol
anticonvulsant;
apoptosis inhibitor;
cardioprotective agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent
2000200024.0low001000
glyceryl nonivamide2011201113.0medium000010
4-(1h-imidazol-4-ylmethyl)piperidinepiperidines2011201113.0low000010
thioperamideprimary aliphatic amine2011201113.0low000010
alpha-hydroxytamoxifenstilbenoid2005200519.0low000100
sch 23390benzazepine201520159.0low000010
bp 897naphthalenecarboxamide2004200420.0low000100
fospropofolalkylbenzene201620168.0low000010
vx-745aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine
anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
2012201212.0low000010
azilect2013201311.0low000010
rasagilineindanes;
secondary amine;
terminal acetylenic compound
EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent
201620168.0low000010
deracoxiborganofluorine compound;
pyrazoles;
sulfonamide
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2012201212.0low000010
dasatinib1,3-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
2012201610.3low000030
2-aminohippuric acidN-acylglycine2012201212.0medium000010
zd 6474aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
2010201014.0low000100
silybin2010201014.0low000100
sb 258585piperazines202020204.0low000010
rs-1308302012201212.0low000010
nafadotridearomatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound
dopaminergic antagonist1998200423.0low001100
chloramine-torganic sodium saltallergen;
antifouling biocide;
disinfectant
2010201014.0low000100
rs 102221aromatic ketone2014201410.0low000010
sc 560aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles
angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
2006200618.0low000100
sitagliptintriazolopyrazine;
trifluorobenzene
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
2012201610.3low000030
flosequinanquinolines2004201017.0low000200
tolcapone2-nitrophenols;
benzophenones;
catechols
antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
2005201613.4low000430
quercetin7-hydroxyflavonol;
pentahydroxyflavone
antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
201320207.5low000020
bilirubinbiladienes;
dicarboxylic acid
antioxidant;
human metabolite;
mouse metabolite
2008200816.0low000100
dinoprostoneprostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
2010201412.0low000120
dinoprostmonocarboxylic acid;
prostaglandins Falpha
human metabolite;
mouse metabolite
2008201015.0low000200
tylosinaldehyde;
disaccharide derivative;
enone;
leucomycin;
macrolide antibiotic;
monosaccharide derivative
allergen;
bacterial metabolite;
environmental contaminant;
xenobiotic
2014201410.0low000010
apigenintrihydroxyflavoneantineoplastic agent;
metabolite
2006200618.0low000100
calcitriolD3 vitamins;
hydroxycalciol;
triol
antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
2004201613.8low000320
vitamin k semiquinone radical2012201212.0low000010
beta carotenecarotenoid beta-end derivative;
cyclic carotene
antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
2008201214.0low000210
alprostadilprostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
2004201413.4low000230
vitamin d 2hydroxy seco-steroid;
seco-ergostane;
vitamin D
bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
201320169.5low000020
cholecalciferolD3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone
geroprotector;
human metabolite
2010201014.0low000100
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
2006200618.0low000100
amphotericin bantibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic
antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
2004201614.2low000320
clavulanic acidoxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
2008201214.0low000210
pulmicort11beta-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
2004201613.5low000330
oxymetholone2010201611.0low000120
eprosartandicarboxylic acid;
imidazoles;
thiophenes
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
2008201611.7low000120
montelukastaliphatic sulfide;
monocarboxylic acid;
quinolines
anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
2010201611.3low000120
mivacuriumisoquinolines201620168.0low000010
brompheniramine maleatemaleate saltanti-allergic agent2013201311.0low000010
dexchlorpheniramine maleateorganic molecular entity2013201311.0medium000010
olopatadine2004200420.0medium000100
hemabate201620168.0low000010
ethchlorvynol2008200816.0low000100
mycophenolate mofetilcarboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound
anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
2010201611.0medium000120
bw b1090uisoquinolines2004200420.0medium000100
entacapone2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
2005201613.0low000220
paricalcitolhydroxy seco-steroid;
seco-cholestane
antiparathyroid drug2010201611.0low000110
astaxanthinecarotenol;
carotenone
animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
2010201014.0low000100
diosmindihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside
anti-inflammatory agent;
antioxidant
2010201014.0low000100
cynarinealkyl caffeate ester;
quinic acid
plant metabolite2010201014.0low000100
sdz psc 833homodetic cyclic peptide2010201014.0low000100
l 660,711quinolines2013201311.0low000010
coenzyme q10ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite
2010201014.0low000100
pheniramine maleateorganic molecular entity2012201212.0low000010
rokitamycinorganic molecular entity2008200816.0low000100
travoprost(trifluoromethyl)benzenes;
isopropyl ester;
prostaglandins Falpha
antiglaucoma drug;
antihypertensive agent;
ophthalmology drug;
prodrug;
prostaglandin receptor agonist
2013201311.0low000010
tranilastamidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide
anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
2010201312.5low000110
7432 scephalosporin;
dicarboxylic acid
antibacterial drug2004201614.0low000110
imipenemcarbapenems2013201311.0medium000010
etretinateenoate ester;
ethyl ester;
retinoid
keratolytic drug2004201315.2low000310
isotretinoinretinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
2004201612.6low000230
misoprostol2004201016.7low000300
ketotifen fumarateorganoammonium saltanti-asthmatic drug;
H1-receptor antagonist
2013201311.0low000010
epoprostenolprostaglandins Imouse metabolite2004201614.7medium000210
indocyanine green1,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
201620168.0medium000010
dinoprost tromethamineorganic molecular entity2013201311.0low000010
ozagrelcinnamic acids2010201014.0low000100
triprolidineN-alkylpyrrolidine;
olefinic compound;
pyridines
H1-receptor antagonist2007201612.6low000230
pitavastatincyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)
antioxidant2010201611.0low000110
rosuvastatin calciumN-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine;
organic calcium salt
anti-inflammatory agent;
cardioprotective agent;
CETP inhibitor
2013201311.0medium000010
terbinafine hydrochlorideallylamine antifungal drug;
hydrochloride
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor
2013201311.0medium000010
ethamolinlong-chain fatty acid201620168.0low000010
betamethasone benzoate21-hydroxy steroid2004200420.0medium000100
alatrofloxacin mesylate2010201611.0medium000110
homatropinetropane alkaloid2012201212.0medium000010
codeinemorphinane alkaloid;
organic heteropentacyclic compound
antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
2000201615.7low001320
cyclosporinehomodetic 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
2005201612.7low000240
natamycinantibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic
antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
2008201313.7high000210
acitretinacitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid
keratolytic drug2010201611.0low000120
cloprednol21-hydroxy steroid2008200816.0low000100
cyproterone17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
chlorinated steroid;
tertiary alpha-hydroxy ketone
androgen antagonist2008201214.0low000110
dihydrocodeinemorphinane alkaloid2014201410.0low000010
dorzolamidesulfonamide;
thiophenes
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2004200420.0low000100
dothiepindothiepin2010201014.0medium000100
estropipatepiperazinium salt;
steroid sulfate
2008201612.0low000110
hydrocodonemorphinane-like compound;
organic heteropentacyclic compound
antitussive;
mu-opioid receptor agonist;
opioid analgesic
2012201212.0low000010
hydromorphonemorphinane alkaloid;
organic heteropentacyclic compound
mu-opioid receptor agonist;
opioid analgesic
2004201613.5low000220
hydroxystilbamidine2008200816.0low000100
levetiracetampyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
2008201612.5low000330
ly 163892carbacephem;
zwitterion
antibacterial drug;
antimicrobial agent
2004201614.0low000110
meprednisone21-hydroxy steroid2008200816.0low000100
nabilone201620168.0low000010
nalmefenemorphinane alkaloid2004201315.5low000110
nalorphinemorphinane alkaloid2005201016.5low000200
naloxonemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol
antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
2000201614.0low001240
oxycodoneorganic heteropentacyclic compound;
semisynthetic derivative
antitussive;
mu-opioid receptor agonist;
opioid analgesic
201420169.0low000020
oxymorphonemorphinane alkaloid2008201612.5low000220
vitamin k 1phylloquinones;
vitamin K
cofactor;
human metabolite;
plant metabolite
201620168.0low000010
aceprevalcorticosteroid hormone2008200816.0medium000100
proscillaridinorganic molecular entity2008200816.0low000100
sirolimusantibiotic 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
2006202011.2low000230
topiramatecyclic ketal;
ketohexose derivative;
sulfamate ester
anticonvulsant;
sodium channel blocker
2004201613.2low000330
trospium chloride201620168.0low000010
brefeldin amacrolide antibioticPenicillium metabolite2006200618.0low000100
alvocidibdihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
2005201016.5low000200
seocalcitol2010201014.0low000100
fenretinidemonocarboxylic acid amide;
retinoid
antineoplastic agent;
antioxidant
2010201014.0low000100
geldanamycin1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound
antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
2006201016.0low000200
calcipotrienecyclopropanes;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
triol
antipsoriatic;
drug allergen
2004200420.0medium000100
morphinemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
2000201615.0low001430
demycarosylturimycin h2010201312.5medium000110
ar c67085mx2012201212.0low000010
acipimoxpyrazinecarboxylic acid2013201311.0low000010
atosibanoligopeptide2013201311.0low000010
benzphetamineamphetamines;
tertiary amine
adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent
201620168.0low000010
bimatoprostmonocarboxylic acid amideantiglaucoma drug;
antihypertensive agent
2013201311.0low000010
clobetasol11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone
anti-inflammatory drug;
SMO receptor agonist
2004200420.0low000100
deamino arginine vasopressinheterodetic cyclic peptidediagnostic agent;
renal agent;
vasopressin receptor agonist
201620168.0low000010
desoximetasone11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone
anti-inflammatory drug;
antipruritic drug
2012201212.0low000010
dexmedetomidinemedetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
201620168.0low000010
fluticasone11beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
fluorinated steroid;
thioester
anti-allergic agent;
anti-asthmatic drug
2004200420.0low000100
goserelinorganic molecular entity201620168.0low000010
halobetasolcorticosteroid hormone2004200420.0low000100
iloprostcarbobicyclic compound;
monocarboxylic acid;
secondary alcohol
platelet aggregation inhibitor;
vasodilator agent
2010201014.0low000100
preclamol2010201014.0low000100
l 745870piperazines2001200123.0low000100
latanoprostisopropyl ester;
prostaglandins Falpha;
triol
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug
2004201315.5low000110
lysophosphatidic acid1-acyl-sn-glycerol 3-phosphate2006200618.0low000100
mdl 1009072001200919.0low000200
nalbuphineorganic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
2000201616.0low001120
nateglinidephenylalanine derivative2012201610.3low000030
rimexolone20-oxo steroid2004200420.0low000100
sb 2234122012201212.0low000010
vinorelbineacetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid
antineoplastic agent;
photosensitizing agent
2004201614.0low000210
zuclopenthixolclopenthixolalpha-adrenergic antagonist;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
2000200024.0medium001000
silodosinindolecarboxamide201620168.0low000010
ro 63-05632005200519.0low000100
ro 4-6790benzenes;
sulfonamide
2005200519.0low000100
sb 2587191998199826.0medium001000
sb 2710462005201414.5low000110
furazolidone2010201014.0low000100
fluvoxamine(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime
antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
2000201615.4low001420
semaxinibolefinic compound;
oxindoles;
pyrroles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
2010201014.0low000100
orantinib2010201014.0low000100
su 11248monocarboxylic 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
2012201610.0low000020
stilbamidine2008200816.0low000100
bay 11-7082nitrile;
sulfone
apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
2006200618.0low000100
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic aciddihydroxy monocarboxylic acid;
indoles;
organofluorine compound
2000201615.0high001430
molsidomineethyl ester;
morpholines;
oxadiazole;
zwitterion
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
2010201312.5low000110
oxiconazoleconazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
oxime O-ether
antiinfective agent2004200420.0low000100
codeine phosphate2014201410.0low000010
levorphanolmorphinane alkaloid201620168.0low000010
dihydromorphinemorphinane alkaloid2014201410.0low000010
naltrexonecyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound
antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
2000201615.9low001420
morphine-6-glucuronidemorphinane alkaloid2005201414.5low000110
dextromethorphan6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
201020208.7low000120
butorphanolmorphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
2004201613.0low000340
cefiximecephalosporinantibacterial drug;
drug allergen
2004201613.5medium000330
lisinoprildipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2004202011.4low000230
benazeprilbenzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2004201614.0low000110
ramiprilazabicycloalkane;
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
2004201613.2low000220
verteporfin201620168.0low000010
indinavir sulfatedicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide
HIV protease inhibitor2004201613.0low000230
zimeldinestyrenes2008201612.0low000120
enalapril maleatemaleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2013201311.0low000010
enalaprildicarboxylic acid monoester;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
2004201613.0low000220
nitrofurazone2010201014.0low000100
trientine hydrochloride201620168.0medium000010
n-methylscopolamine bromide201620168.0low000010
bleomycinbleomycinantineoplastic agent;
metabolite
2010201611.0low000110
heroinmorphinane alkaloidmu-opioid receptor agonist;
opioid analgesic;
prodrug
2014201410.0low000010
enalaprilat anhydrousdicarboxylic acid;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2010201611.0low000140
normorphinemorphinane alkaloid2014201410.0low000010
imidaprildicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2010201014.0low000100
sulindac sulfonemonocarboxylic acid;
organofluorine compound;
sulfone
apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
2010201014.0low000100
pepstatinpentapeptide;
secondary carboxamide
bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
202020204.0low000010
ximelagatranamidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
2010201611.0low000110
cefuroxime3-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether
drug allergen2004201614.0low000110
ceftriaxone1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
2004201614.0low000320
cefepimecephalosporin;
oxime O-ether
antibacterial drug2004201614.0low000110
pafuramidine201620168.0low000010
ceftazidimecephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
2004201614.0low000220
trandolaprildicarboxylic 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
2004201613.8low000320
morphine-3-glucuronidemorphinane alkaloid2005201414.5low000110
pregabalingamma-amino acidanticonvulsant;
calcium channel blocker
201320169.5low000020
tiotropium2012201212.0low000010
alvimopan anhydrouspeptide201320169.5low000020
aliskirenmonocarboxylic acid amide;
monomethoxybenzene
antihypertensive agent201620168.0low000010
guanabenz acetatedichlorobenzenegeroprotector2010201014.0low000100
guanabenzdichlorobenzene2004201216.0low000110
1-[4-[4-[[(2R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanonepiperazines2003200321.0medium000100
famotidine1,3-thiazoles;
guanidines;
sulfonamide
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
2000201615.4low001220
cefotaxime1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen
2004201614.0low000210
aztreonambeta-lactam antibiotic allergen;
monobactam
antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
2004201613.5low000220
nw 10292012201212.0low000010
1,2-dielaidoylphosphatidylethanolamine2014201410.0low000010
proguanilbiguanides;
monochlorobenzenes
antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
2010201014.0low000100
cci 15641cephalosporin2004201315.5high000110
rifamycin svacetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins
antimicrobial agent;
antitubercular agent;
bacterial metabolite
2010201014.0low000100
cefpodoximecarboxylic acid;
cephalosporin
antibacterial drug2004201614.0medium000110
palonosetronazabicycloalkane;
delta-lactam;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
201620168.0low000010
epoprostenol sodiumprostanoid2010201014.0medium000100
tenofovir disoproxil fumaratefumarate saltantiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug
2013201311.0low000010
dexbrompheniramine maleatebrompheniramine maleateanti-allergic agent;
H1-receptor antagonist
2013201311.0low000010
rifaximinacetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative
antimicrobial agent;
gastrointestinal drug;
orphan drug
201320169.5low000020
bafilomycin a1cyclic hemiketal;
macrolide antibiotic;
oxanes
apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin
202020204.0low000010
4-oxoretinoic acidenone;
retinoid
human xenobiotic metabolite2005200519.0low000100
lumefantrinefluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine
antimalarial2011201113.0low000010
ici d15422012201212.0medium000010
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
201320169.5low000020
ixabepilone1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle
antineoplastic agent;
microtubule-destabilising agent
2010201611.0low000110
gavestinel2012201212.0medium000010
gt 23312011201113.0medium000010
dirithromycinmacrolide antibioticprodrug2004200420.0low000100
azlocillinpenicillin allergen;
penicillin;
semisynthetic derivative
antibacterial drug2010201014.0low000100
tanespimycin1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
2006200618.0low000100
gw 1929benzophenones2006200618.0low000100
cefpodoxime proxetilcarboxylic acid;
carboxylic ester;
cephalosporin
antibacterial drug;
prodrug
2004201315.5low000110
ceftizoximecephalosporinantibacterial drug2004201614.0low000110
rosaramicinaldehyde;
enone;
epoxide;
macrolide antibiotic;
monosaccharide derivative
bacterial metabolite2014201410.0low000010
2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazolearyl sulfide2006200618.0medium000100
1-methyl-d-lysergic acid butanolamideergot alkaloid;
monocarboxylic acid amide
serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
1998201613.8medium001030
fluphenazine2013201311.0medium000010
dantrolene sodium2010201014.0low000100
nitrofurantoinimidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic
antibacterial drug;
antiinfective agent;
hepatotoxic agent
2000201614.6low001340
6-cyano-4-(n-ethylsulfonyl-n-methylamino)-3-hydroxy-2,2-dimethylchromane, (trans-(+))-isomer2004200420.0medium000100
sb 269970sulfonamide2012201411.0low000020
nifurtimoxnitrofuran antibiotic2000201019.0low001100
dantrolene2004201613.0medium000130
roxithromycinroxithromycinenvironmental contaminant;
xenobiotic
2010201411.7medium000120
cefdinircephalosporin;
ketoxime
antibacterial drug201320169.7low000030
etonogestrel17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound
contraceptive drug;
female contraceptive drug;
progestin
201620168.0low000010
bisoprolol, fumarate (1:1) salt2013201311.0medium000010
artesunateartemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid
antimalarial;
antineoplastic agent;
ferroptosis inducer
2013201311.0low000010
ci 940hydroxy polyunsaturated fatty acid;
leptomycin
antifungal agent;
bacterial metabolite
2006200618.0medium000100
tipredane3-hydroxy steroidandrogen2012201212.0low000010
beraprostenyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol
anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
2010201014.0low000100
lanreotide2010201014.0medium000100
etoposide phosphatefuronaphthodioxole2013201311.0low000010
ciclesonideorganic molecular entity2013201311.0low000010
temsirolimusmacrolide lactam201320169.5medium000020
dutasteride(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
201320169.5low000020
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetroneoligopeptide202020204.0low000010
tekturnafumarate saltantihypertensive agent2013201311.0medium000010
lu 208075diarylmethane2010201611.0low000110
bibx 1382bssubstituted aniline201620168.0low000010
2-ethyl-5-methoxy-n,n-dimethyltryptamine2005200519.0low000100
vildagliptinamino acid amide2013201311.0low000010
ms-2452005200519.0low000100
fesoterodinediarylmethane201620168.0low000010
sb 399885201920195.0low000010
bentiromidedipeptidediagnostic agent;
indicator;
reagent
2012201212.0low000010
phenylalanylphenylalaninedipeptide;
L-aminoacyl-L-amino acid zwitterion
human blood serum metabolite;
Mycoplasma genitalium metabolite
2014201410.0medium000010
acetylcarnitineO-acetylcarnitine;
saturated fatty acyl-L-carnitine
human metabolite;
Saccharomyces cerevisiae metabolite
2010201014.0medium000100
sgd 301-76conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
antiinfective agent2013201311.0low000010
fluvoxamine maleate(trifluoromethyl)benzenes2013201311.0low000010
thioacetazone2013201311.0low000010
azimilideimidazolidine-2,4-dione2003201117.2low000310
nifurtoinolhydrazone;
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic
antibacterial drug;
antiinfective agent;
hepatotoxic agent
2010201014.0medium000100
gemifloxacin1,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic
antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
2012201610.0low000020
dexlansoprazolebenzimidazoles;
sulfoxide
201320169.5low000020
gemifloxacin mesylatemethanesulfonate saltantimicrobial agent;
topoisomerase IV inhibitor
2013201311.0low000010
fosinopril2004201614.5high000310
armodafinil2-[(diphenylmethyl)sulfinyl]acetamidecentral nervous system stimulant;
eugeroic
201620168.0medium000010
pridopidine2010201014.0low000100
osu 61622010201014.0low000100
nnc 38-10492011201113.0medium000010
dibutyl phthalate2011201113.0low000010
utibapril2012201212.0medium000010
eflucimibe2010201014.0low000100
ave 01182011201113.0medium000010
pd 144418202020204.0medium000010
benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)-2011201113.0low000010
cp 2930192001200123.0medium000100
midostaurinbenzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
202020204.0low000010
lu 28-179202020204.0low000010
sincalideoligopeptide201620168.0low000010
tapentadolalkylbenzene201620168.0low000010
etomoxiraromatic ether2010201014.0low000100
zd 93792012201212.0medium000010
bms 1938842004200420.0medium000100
ly 450139peptide2012201212.0low000010
pentagastrinorganic molecular entity2010201611.0low000110
cangreloradenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound
P2Y12 receptor antagonist;
platelet aggregation inhibitor
2012201212.0low000010
sch 5271232012201212.0low000010
abt-7702008200816.0medium000100
cefditorencarboxylic acid;
cephalosporin
antibacterial drug201620168.0low000010
rivaroxabanaromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
2013201311.0low000010
slv 3132007200717.0low000100
hmr 15562004200420.0low000100
9-n-(1-propyl)erythromyclamine2008200816.0medium000100
gentamicin sulfate2010201213.0low000110
a 3041212011201113.0low000010
4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one2008200816.0medium000100
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
thiocolchicosideglycoside2010201014.0low000100
norcodeinemorphinane alkaloid2014201410.0low000010
tofacitinibN-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound
antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
2013201311.0low000010
pifithrin-alpha2006200618.0medium000100
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamidepiperazines;
pyridines
2011201113.0low000010
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride2014201410.0medium000010
linaprazan2012201212.0low000010
5-hydroxyrofecoxib2005200519.0medium000100
azacosterol2008200816.0low000100
sb-656104-a2012201212.0medium000010
pazopanibaminopyrimidine;
indazoles;
sulfonamide
angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
201320207.7low000030
lecozotan2012201212.0medium000010
azd 6244benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
2010201014.0low000100
prasugrel hydrochloride201620168.0low000010
e-68012005200519.0medium000100
ar c1558582012201212.0low000010
decanoylcarnitinedecanoate ester;
O-acylcarnitine
human urinary metabolite2014201410.0low000010
a 3179202011201113.0medium000010
homatropine methylbromide2008201214.0low000110
cj 0334662011201113.0medium000010
PB28aromatic ether;
piperazines;
tetralins
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
202020204.0low000010
amg 0092013201311.0low000010
vinflunineacetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid
antineoplastic agent2010201014.0low000100
sch 442416triazolopyrimidines2008200816.0low000100
cefotaxime sodiumorganic sodium salt2013201311.0low000010
1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine2009200915.0medium000100
baci-imhomodetic cyclic peptide;
polypeptide;
zwitterion
antibacterial agent;
antimicrobial agent
2010201611.0low000110
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
2012201212.0low000010
bms 477118adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
201620168.0low000010
sb 742457201920195.0low000020
nystatin a1nystatins2004201615.0low000210
naluzotan2009200915.0medium000100
pf-25459202012201212.0low000010
milnacipranacetamides2010201611.0medium000110
vindesine2008200816.0low000100
losartan potassium2013201311.0low000010
at 13387benzamides;
isoindoles;
N-alkylpiperazine;
resorcinols;
tertiary carboxamide
antineoplastic agent;
Hsp90 inhibitor
202020204.0low000010
scopolamine hydrobromide2000201614.7low001020
dactolisibimidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
2013201311.0low000010
pf 034913902010201014.0low000100
octoclothepine, (s)-isomer2002200421.0high000200
rabeprazole sodiumorganic sodium salt2013201311.0low000010
amodiaquine hydrochloride2008201214.0low000210
pf 036547462011201113.0medium000010
bivalirudinpolypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
201320169.5low000020
somatostatinheterodetic cyclic peptide;
peptide hormone
2013201311.0low000010
tanninstannin2010201014.0low000100
enfuvirtide201620168.0low000010
ganirelixpolypeptide201620168.0low000010
teriparatidepolypeptide201620168.0medium000010
salmon calcitoninheterodetic cyclic peptide;
peptide hormone;
polypeptide
bone density conservation agent;
metabolite
201620168.0medium000010
ly-146032heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide
antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
201320169.5low000020
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamidepolypeptide201620168.0low000010
exenatide201620168.0low000010
warfarin sodium2013201311.0medium000010
azd 7545benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide
EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent
2012201212.0low000010
pravastatin sodiumorganic sodium salt;
statin (semi-synthetic)
anticholesteremic drug2013201311.0low000010
alendronate sodium2013201311.0medium000010
gsk 10047232011201113.0medium000010
sl 80.07502013201311.0medium000010
lu ae58054201920195.0low000010
mesnaorganosulfonic acid2004201613.2low000220
cerivastatin sodiumorganic sodium salt;
statin (synthetic)
2010201014.0low000100
clavulanate potassiumpotassium saltantibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor
2012201311.5high000020
cefamandole nafateorganic sodium saltantibacterial drug;
prodrug
2004200420.0medium000100
cytomelorganic sodium salt2012201212.0medium000010
sodium lactatelactate salt;
organic sodium salt
food acidity regulator;
food preservative
201620168.0low000010
piperacillin sodiumorganic sodium salt2013201311.0low000010
monensin2010201014.0medium000100
sodium iothalamate201620168.0low000010
oxacillin sodiumorganic sodium salt2010201312.5medium000110
sodium diatrizoateorganic sodium salt;
organoiodine compound
radioopaque medium2010201014.0low000100
cefazolin sodiumorganic sodium salt2013201311.0low000010
azlocillin sodiumorganic sodium salt2013201311.0medium000010
cx 4945202020204.0low000010
ponatinib(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine
antineoplastic agent;
tyrosine kinase inhibitor
202020204.0low000010
cetrorelixoligopeptideantineoplastic agent;
GnRH antagonist
201620168.0low000010
n-(4-cyanophenylmethyl)-4-(2-diphenyl)-1-piperazinehexanamide2012201212.0low000010
incb-018424nitrile;
pyrazoles;
pyrrolopyrimidine
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
202020204.0low000010
a 9670792012201212.0low000010
pht 4272012201212.0low000010
e-52862202020204.0low000010
sk&f 100472001200123.0medium000100
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-aminebenzoxazole202020204.0low000010
jq1 compoundcarboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer
202020204.0low000010
ML240aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound
antineoplastic agent202020204.0low000010
ascorbic acidascorbic acid;
vitamin C
coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
2010201611.0low000110
raltegravir1,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide
antiviral drug;
HIV-1 integrase inhibitor
201620168.0low000010
novobiocincarbamate 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
2008201015.0low000200
tetracycline2004201613.0low000340
chlortetracycline2008201413.3low000210
oxytetracycline, anhydrous2010201611.0low000110
minocycline2004201613.5low000220
dicumarolhydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
2010201213.0low000110
piroxicambenzothiazine;
monocarboxylic acid amide;
pyridines
analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
2004201613.3low000330
roquinimexaromatic amide2013201311.0low000010
acenocoumarolC-nitro compound;
hydroxycoumarin;
methyl ketone
anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
2010201014.0low000100
meclocycline2004200420.0low000100
mobic1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide
analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2010201611.8low000220
mobiflexheteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2000201316.2low001210
isoxicambenzothiazine;
isoxazoles;
monocarboxylic acid amide
antirheumatic drug;
non-steroidal anti-inflammatory drug
2013201311.0low000010
warfarinbenzenes;
hydroxycoumarin;
methyl ketone
2000201614.9low001340
bephenium hydroxynaphthoate2008200816.0low000100
demeclocycline201620168.0low000010
phenprocoumonhydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
2008201015.0low000200
tipranavirsulfonamideantiviral drug;
HIV protease inhibitor
201620168.0low000010
rolitetracycline2010201014.0low000100
minocycline hydrochloride2013201311.0low000010
tigecycline201320169.5low000020
lornoxicamheteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine
antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2010201312.5low000110
pelabresibmonochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide
antineoplastic agent;
bromodomain-containing protein 4 inhibitor
202020204.0low000010
ajmaline2000201019.0high001100
fertinex201620168.0medium000010
PF-06446846benzamides;
monochloropyridine;
piperidines;
tertiary carboxamide;
triazolopyridine
antilipemic drug;
EC 3.4.21.61 (kexin) inhibitor
202020204.0medium000010
dBET6organic molecular entity202020204.0medium000010
MZ1organic molecular entity202020204.0medium000010
AZ3451benzimidazoles;
benzodioxoles;
nitrile;
organobromine compound;
secondary carboxamide
anti-inflammatory agent;
autophagy inducer;
PAR2 negative allosteric modulator
202020204.0medium000010
entecavir2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
2010201611.0low000120
acyclovir2-aminopurines;
oxopurine
antimetabolite;
antiviral drug
2004201613.0low000230
inosineinosines;
purines D-ribonucleoside
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2010201014.0low000100
folic acidfolic acids;
N-acyl-amino acid
human metabolite;
mouse metabolite;
nutrient
2008201612.5low000220
viomycinheterodetic cyclic peptide;
peptide antibiotic
antitubercular agent2008200816.0low000100
rifampincyclic 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
2004201613.0low000230
clozapinebenzodiazepine;
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
1994202116.1low001128221
dacarbazinedacarbazine2008201612.2low000240
didanosinepurine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
2004201613.0low000230
ganciclovir2-aminopurines;
oxopurine
antiinfective agent;
antiviral drug
2004201613.2low000220
valtrexorganic molecular entity2013201311.0low000010
valacyclovirL-valyl esterantiviral drug2004201614.0low000110
sildenafilpiperazines;
pyrazolopyrimidine;
sulfonamide
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
2003201615.1low000630
penciclovir2-aminopurines;
propane-1,3-diols
antiviral drug2004201017.0low000200
oxypurinolpyrazolopyrimidinedrug metabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor
2010201014.0low000100
raltitrexedN-acyl-amino acid2010201312.5low000110
vardenafilimidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
2006201613.0low000110
allopurinolnucleobase analogue;
organic heterobicyclic compound
antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
2000201615.0low001330
citrovorum factortetrahydrofolic acid201320169.5high000020
leucovorinformyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
2010201611.3medium000120
rifapentineN-alkylpiperazine;
N-iminopiperazine;
rifamycins
antitubercular agent;
leprostatic drug
201320169.5low000020
alanosine2010201014.0low000100
bl 4162aimidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor
201620168.0low000010
tegaserodcarboxamidine;
guanidines;
hydrazines;
indoles
gastrointestinal drug;
serotonergic agonist
201620168.0low000010
norclozapinedibenzodiazepine;
organochlorine compound;
piperazines
delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
2003202113.0low000321
pemetrexedN-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
201620168.0low000010
tirapazaminearomatic amine;
benzotriazines;
N-oxide
antibacterial agent;
antineoplastic agent;
apoptosis inducer
2010201014.0low000100
sildenafil citratecitrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
2013201311.0low000010
valganciclovirL-valyl ester;
purines
antiviral drug;
prodrug
201620168.0low000010
aprepitant(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles
antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
201320169.5low000020
fosaprepitant(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles
antiemetic;
neurokinin-1 receptor antagonist;
prodrug
201620168.0low000010
tegaserod maleatemaleate saltserotonergic agonist2013201311.0medium000010
rifabutin2004201613.2medium000220
clozapine n-oxidedibenzodiazepine2009200915.0low000100
desmethylolanzapinebenzodiazepine2009201114.0medium000110
carbadoxquinoxaline derivative2012201212.0low000010
ver 52296aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols
angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
202020204.0low000010
levomefolate calciumorganic calcium saltantidepressant201620168.0medium000010
rvx 208202020204.0low000010
fenobamureas2012201212.0low000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-aminobutyric acidamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid
human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
1999202214.2low002882
acetic acidmonocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
2013201311.0low000010
acetoneketone body;
methyl ketone;
propanones;
volatile organic compound
EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
2004201316.0low000210
agmatineguanidines;
primary amino compound
Escherichia coli metabolite;
mouse metabolite
201920223.5low000011
bromidehalide anion;
monoatomic bromine
2007200717.0low000100
carbamatesamino-acid anion2003201712.7low100120
carbon monoxidecarbon oxide;
gas molecular entity;
one-carbon compound
biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent
2004202111.5low100101
carnitineamino-acid betainehuman metabolite;
mouse metabolite
200520229.8low100131
methanealkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound
bacterial metabolite;
fossil fuel;
greenhouse gas
201320169.5low000020
cholinecholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
2000201118.5low001010
chlorinehalide anion;
monoatomic chlorine
cofactor;
Escherichia coli metabolite;
human metabolite
201420197.5low000020
salicylic acidmonohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
2003200321.0low000100
hydrogen sulfidegas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride
Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
202320231.0low000001
3-hydroxybutyric acid(omega-1)-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
hydroxybutyric acid
human metabolite2004202211.0low000101
bupropionaromatic ketone;
monochlorobenzenes;
secondary amino compound
antidepressant;
environmental contaminant;
xenobiotic
2002202312.0low100431
3,4-dihydroxyphenylacetic acidcatechols;
dihydroxyphenylacetic acid
human metabolite1999201618.4low001310
creatineglycine derivative;
guanidines;
zwitterion
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
2000200223.0low001100
cytosineaminopyrimidine;
pyrimidine nucleobase;
pyrimidone
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
201820186.0low000010
lactic acid2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
2011201113.0low100020
dimethyl sulfoxidesulfoxide;
volatile organic compound
alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
2005202210.5low000101
formaldehydealdehyde;
one-carbon compound
allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2006200618.0low000100
glycinealpha-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
2004200818.4low200500
glycerolalditol;
triol
algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
2007200717.0low000100
histaminearalkylamino compound;
imidazoles
human metabolite;
mouse metabolite;
neurotransmitter
1999202113.6low001231
hydrogenelemental hydrogen;
elemental molecule;
gas molecular entity
antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite
201520159.0low000010
iodinediatomic iodinenutrient2013201311.0low000010
dihydroxyphenylalaninehydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative
human metabolite2004200420.0low000100
kynureninearomatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline
human metabolite201220226.2low000031
thioctic aciddithiolanes;
heterocyclic fatty acid;
thia fatty acid
fundamental metabolite;
geroprotector
2014201410.0low000010
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
2006202311.0low400561
naphthalenenaphthalenes;
ortho-fused bicyclic arene
apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
2011201113.0low000010
nickelmetal allergen;
nickel group element atom
epitope;
micronutrient
201820186.0low000010
niacinamidepyridine alkaloid;
pyridinecarboxamide;
vitamin B3
anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
201520159.0low000010
nitratesmonovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
2012201212.0low000010
nitritesmonovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
human metabolite2006200618.0low000100
palmitic acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite
201620168.0low000010
pyruvic acid2-oxo monocarboxylic acidcofactor;
fundamental metabolite
201320197.3low000030
sarcosineN-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines
Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite
201620168.0low000010
succinic acidalpha,omega-dicarboxylic acid;
C4-dicarboxylic acid
anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
2001200123.0low000100
taurineamino sulfonic acid;
zwitterion
antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
2013201311.0low000010
thyminepyrimidine nucleobase;
pyrimidone
Escherichia coli metabolite;
human metabolite;
mouse metabolite
2012201212.0low000010
toluenemethylbenzene;
toluenes;
volatile organic compound
cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
2009200915.0low000100
uric aciduric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
2007201712.0low100110
ureaisourea;
monocarboxylic acid amide;
one-carbon compound
Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2007201712.0low000220
7-hydroxy-2-n,n-dipropylaminotetralintetralins1998201515.0low001020
8-hydroxy-2-(di-n-propylamino)tetralinphenols;
tertiary amino compound;
tetralins
serotonergic antagonist1999200919.0low001500
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acidnon-proteinogenic alpha-amino acid2000201219.0low001110
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid2011201113.0low000010
4-iodo-2,5-dimethoxyphenylisopropylamineamphetamines;
dimethoxybenzene;
organoiodine compound
2001202013.8low000220
sk&f-38393benzazepine;
catechols;
secondary amino compound
2001200222.5low000200
1-(3-chlorophenyl)piperazinemonochlorobenzenes;
N-arylpiperazine
drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
2001200123.0low100100
1-anilino-8-naphthalenesulfonateaminonaphthalene;
naphthalenesulfonic acid
fluorescent probe201620168.0low000010
2-methyl-5-httryptaminesserotonergic agonist2001200123.0low000100
3,4-methylenedioxyamphetaminebenzodioxoles2005201912.0low000110
n-methyl-3,4-methylenedioxyamphetamineamphetamines;
benzodioxoles
neurotoxin2002200919.8low100400
homovanillic acidguaiacols;
monocarboxylic acid
human metabolite;
mouse metabolite
2001201417.1low500810
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
1999201818.4low002210
hydroxyindoleacetic acidindole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
2001201617.8low100310
tacrineacridines;
aromatic amine
EC 3.1.1.7 (acetylcholinesterase) inhibitor1999200521.4low002300
acetaminophenacetamides;
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
2010201014.0low000100
acetazolamidemonocarboxylic acid amide;
sulfonamide;
thiadiazoles
anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2013201311.0low000010
alosetronimidazoles;
pyridoindole
antiemetic;
gastrointestinal drug;
serotonergic antagonist
2002200222.0low000100
alpha-cyano-4-hydroxycinnamate201720177.0low000010
alpha-methylserotonintryptaminesserotonergic agonist2008200816.0low000100
alprazolamorganochlorine compound;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
1999202314.0low101211
amantadineadamantanes;
primary aliphatic amine
analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
2001201316.2low500530
theophyllinedimethylxanthineadenosine 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
2007201911.0low000110
dan 2163aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone
environmental contaminant;
second generation antipsychotic;
xenobiotic
1999202312.5medium2906626213
amitriptylinecarbotricyclic compound;
tertiary amine
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
2006202113.0low100411
amlodipinedihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2011201113.0low000010
amoxapinedibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
1999201517.0low001010
aspirinbenzoic 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
2002200222.0low000100
astemizolebenzimidazoles;
piperidines
anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
2014201410.0low000010
atenololethanolamines;
monocarboxylic acid amide;
propanolamine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
2006200618.0low000100
azasetronbenzoxazine2009201512.0low200110
baclofenamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound
central nervous system depressant;
GABA agonist;
muscle relaxant
201120237.5low000051
benserazidecarbohydrazide;
catechols;
primary alcohol;
primary amino compound
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
202020204.0low000010
berberinealkaloid 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
201320216.8low100051
betahistineaminoalkylpyridine;
secondary amino compound
H1-receptor agonist;
vasodilator agent
200520238.9low5001112
bethanecholcarbamate ester;
quaternary ammonium ion
muscarinic agonist201920195.0low000010
bicalutamide(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
201520159.0low000010
biperidenpiperidines;
tertiary alcohol;
tertiary amino compound
antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
1998202213.7low101221
bisbenzimidazolebibenzimidazole;
N-methylpiperazine
anthelminthic drug;
fluorochrome
201520159.0low000010
bisoprololsecondary alcohol;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
202320231.0low000001
bromazepamorganic molecular entity201520159.0low000010
bromperidolaromatic ketone2011201113.0low000010
bupivacainearomatic amide;
piperidinecarboxamide;
tertiary amino compound
2012201212.0low000010
buspironeazaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines
anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
200520239.3low100231
caffeinepurine 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
1999202115.6low101511
carbamazepinedibenzoazepine;
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
1998202216.5low60634123
carmustineN-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
201820186.0low100010
carpipraminedibenzooxazepine2005200519.0low000100
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
2009200915.0low000100
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2006201314.5low100110
cetirizineether;
monocarboxylic acid;
monochlorobenzenes;
piperazines
anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
1999201818.0low001310
chlordiazepoxidebenzodiazepine1995201417.4low001310
chloroquineaminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
201520159.0low000010
chlorpheniraminemonochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
201720177.0low000010
chlorpromazineorganochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
1997202315.9low90745213
ciprofloxacinaminoquinoline;
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
1999200621.5low001100
cisapridebenzamides2003200321.0low000100
citalopram2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
1999202214.7low5021984
clomipraminedibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
1998202016.5low204870
clonazepam1,4-benzodiazepinone;
monochlorobenzenes
anticonvulsant;
anxiolytic drug;
GABA modulator
2001202312.8low20011132
clonidineclonidine;
imidazoline
2003201913.0low100110
cyproheptadinepiperidines;
tertiary amine
anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
2003201910.7low100120
dantrolenehydrazone;
imidazolidine-2,4-dione
muscle relaxant;
neuroprotective agent;
ryanodine receptor antagonist
2000201814.3low001230
dapsonesubstituted aniline;
sulfone
anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
202020204.0low000010
desipraminedibenzoazepine;
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
1999201018.0low001300
nordazepam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
201120199.0low000020
amphetamineprimary amine1996202113.4low101891
diazepam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
2003201914.2low000530
diclofenacamino 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
2012201311.5low000020
diphenhydramineether;
tertiary amino compound
anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
2000201916.7low001110
dipyridamolepiperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol
adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
2011201113.0low100010
disulfiramorganic 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
2014201410.0low000010
valproic acidbranched-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
1998202314.9low33081084914
domperidonebenzimidazoles;
heteroarylpiperidine
antiemetic;
dopaminergic antagonist
201520216.0low000011
donepezilaromatic ether;
indanones;
piperidines;
racemate
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
2001202216.2low3001021
doxepindibenzooxepine;
tertiary amino compound
antidepressant2000201516.2low201210
droperidolaromatic ketone;
benzimidazoles;
organofluorine compound
anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
200820237.2low5001103
erythrosine2012201411.0low000020
ethosuximidedicarboximide;
pyrrolidinone
anticonvulsant;
geroprotector;
T-type calcium channel blocker
201720177.0low000010
famotidine1,3-thiazoles;
guanidines;
sulfonamide
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
2004201911.7low100120
fenfluramine(trifluoromethyl)benzenes;
secondary amino compound
appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
2002200222.0low000100
fenofibratearomatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
202120213.0low000001
fentanylanilide;
monocarboxylic acid amide;
piperidines
adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
201820224.0low000011
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
1998202216.3low6012052
flumazenilethyl ester;
imidazobenzodiazepine;
organofluorine compound
antidote to benzodiazepine poisoning;
GABA antagonist
200720229.3low000111
flunitrazepam1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes
anxiolytic drug;
GABAA receptor agonist;
sedative
2007200816.5low000200
fluorouracilnucleobase analogue;
organofluorine compound
antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
202020204.0low000010
fluoxetine(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
1998202316.3low320892307
fluphenazine depotdecanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug
2003201316.8low100310
gabapentingamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
1999202317.1low002421
glipizidearomatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines
EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
2006200618.0low000100
glyburidemonochlorobenzenes;
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
2000201415.3low001020
guaifenesinmethoxybenzenes1999199925.0low001000
haloperidolaromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
1995202416.2low21209144620536
tele-methylhistamineimidazoles;
primary amino compound
human metabolite;
mouse metabolite
1999199925.0low001000
alpha-methylhistaminearalkylamino compound;
imidazoles
animal metabolite;
H3-receptor agonist
1996199926.5low002000
hydroxychloroquineaminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
2014201410.0low000010
lidocainebenzenes;
monocarboxylic acid amide;
tertiary amino compound
anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
2002200222.0low000100
mephentermineamphetamines201520159.0low000010
ifosfamideifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
201820186.0low100010
imipraminedibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
1997202213.6low101422
indomethacinaromatic 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
2009200915.0low000100
iproniazidcarbohydrazide;
pyridines
2010201014.0low000100
avaproazaspiro compound;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
2001200123.0low000100
isoniazidcarbohydrazideantitubercular agent;
drug allergen
1998199826.0low001000
2-propanolsecondary alcohol;
secondary fatty alcohol
protic solvent2004200420.0low000100
2-propanolsecondary alcohol;
secondary fatty alcohol
protic solvent2004202111.5low000101
ketaminecyclohexanones;
monochlorobenzenes;
secondary amino compound
analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
2000202111.2low001362
ketanserinaromatic ketone;
organofluorine compound;
piperidines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
1999202315.4low001301
ketoconazoledichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
2003201314.7low000120
kynurenic acidmonohydroxyquinoline;
quinolinemonocarboxylic acid
G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
2012201212.0low000010
labetalolbenzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
201720177.0low000010
lamotrigine1,2,4-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
1999202315.9low100246104
lorazepambenzodiazepine1998202313.1low80120194
loxapinedibenzooxazepineantipsychotic agent;
dopaminergic antagonist
1997202115.7low203151
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-onechromones;
morpholines;
organochlorine compound
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
2005201016.5low000200
maprotilineanthracenes2010201014.0low000100
mazindolorganic molecular entity2003200321.0low000100
memantineadamantanes;
primary aliphatic amine
antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
2004201714.8low200420
mepivacainepiperidinecarboxamidedrug allergen;
local anaesthetic
2012201212.0low000010
metforminguanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
2006202310.4low8009115
methacrylic acidalpha,beta-unsaturated monocarboxylic acid201620168.0low000010
methadonebenzenes;
diarylmethane;
ketone;
tertiary amino compound
2010201611.0low200120
methylphenidatebeta-amino acid ester;
methyl ester;
piperidines
2003201715.6low000810
metoclopramidebenzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound
antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
200720236.3low200172
metronidazoleC-nitro compound;
imidazoles;
primary alcohol
antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
2013201311.0low000010
mianserindibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
1999202316.2low5012461
midazolamimidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound
anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
200920228.2low6003161
mirtazapinebenzazepine;
tetracyclic antidepressant
alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
2001202314.1low5002183
moclobemidebenzamides;
monochlorobenzenes;
morpholines
antidepressant;
environmental contaminant;
xenobiotic
201020237.5low000101
modafinilmonocarboxylic acid amide;
sulfoxide
2009201014.3low300300
muscimolalkaloid;
isoxazoles;
primary amino compound
fungal metabolite;
GABA agonist;
oneirogen;
psychotropic drug
2001200818.7low000300
fg 7142beta-carbolines1999199925.0low001000
clorgylinearomatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound
antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
2010201014.0low000100
naratriptanheteroarylpiperidine;
sulfonamide;
tryptamines
serotonergic agonist;
vasoconstrictor agent
201520159.0low000010
nefazodonearomatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles
alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
2008201612.0low000110
nevirapinecyclopropanes;
dipyridodiazepine
antiviral drug;
HIV-1 reverse transcriptase inhibitor
201720177.0low000010
nifedipineC-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
201420159.5low000020
nisoxetinearomatic ether;
secondary amino compound
adrenergic uptake inhibitor;
antidepressant
2000200024.0low001000
norfluoxetine(trifluoromethyl)benzenes202120213.0low000001
nortriptylineorganic tricyclic compound;
secondary amine
adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
2005200916.7low100300
ondansetroncarbazoles200120237.6low12003124
oxazepam1,4-benzodiazepinone;
organochlorine compound
anxiolytic drug;
environmental contaminant;
xenobiotic
2008200816.0low000100
oxidopaminebenzenetriol;
catecholamine;
primary amino compound
drug metabolite;
human metabolite;
neurotoxin
2001200820.3low000300
oxotremorineN-alkylpyrrolidine2002200222.0low000100
oxybutyninacetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound
antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
201220227.0low000021
pargylinearomatic amine2010201014.0low000100
pd 98059aromatic amine;
monomethoxyflavone
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
2005200519.0low000100
perazineN-alkylpiperazine;
N-methylpiperazine;
phenothiazines
dopaminergic antagonist;
phenothiazine antipsychotic drug
2003201415.7low200640
perphenazineN-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
1998202413.8low250226183
phenobarbitalbarbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
201620168.0low000010
4-phenylbutyric acidmonocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
201920195.0low000010
pipamperonearomatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
2010201014.0low000100
piperazineazacycloalkane;
piperazines;
saturated organic heteromonocyclic parent
anthelminthic drug201820186.0low000010
piracetamorganonitrogen compound;
organooxygen compound
201420188.0low000030
pirenzepinepyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
1992202023.4high302061871770
prazepambenzodiazepine2004200420.0low000100
prazosinaromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
1997201517.8low001210
probenecidbenzoic acids;
sulfonamide
uricosuric drug2002200222.0low100100
prochlorperazineN-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
200920239.0low000131
promazinephenothiazines;
tertiary amine
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
2004200917.0low100300
promethazinephenothiazines;
tertiary amine
anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
2007202310.8low200442
propofolphenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
2008201213.7low100120
propranololnaphthalenes;
propanolamine;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
1997201715.3low102350
pyrilaminearomatic ether;
ethylenediamine derivative
H1-receptor antagonist2000200919.5low001100
quipazinepiperazines;
pyridines
1992200526.0low002100
riluzolebenzothiazoles2002200222.0low000200
risperidone1,2-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
1995202415.6high361015684743582
ritanserinorganofluorine compound;
piperidines;
thiazolopyrimidine
antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
1997200025.3low003000
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2009200915.0low000100
roliprampyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
201520159.0low000010
ropiniroleindolones;
tertiary amine
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
201620177.5low000020
saccharin1,2-benzisothiazole;
N-sulfonylcarboxamide
environmental contaminant;
sweetening agent;
xenobiotic
202020222.7low000012
salicylsalicylic acidbenzoate 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
202320231.0low000001
sibutramineorganochlorine compound;
tertiary amino compound
anti-obesity agent;
serotonin uptake inhibitor
2005201215.5low200310
spiperonearomatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound
alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
2004200619.0low100200
vorinostatdicarboxylic acid diamide;
hydroxamic acid
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
201820186.0low000010
sulforaphaneisothiocyanate;
sulfoxide
antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
202020204.0low000010
sulpiridebenzamides;
N-alkylpyrrolidine;
sulfonamide
antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
1998202215.6low240880481
sumatriptansulfonamide;
tryptamines
serotonergic agonist;
vasoconstrictor agent
2002200222.0low000200
talipexoleazepine1999199925.0low001000
temozolomideimidazotetrazine;
monocarboxylic acid amide;
triazene derivative
alkylating agent;
antineoplastic agent;
prodrug
2011201511.0low000020
terfenadinediarylmethane2014201410.0low000010
thalidomidephthalimides;
piperidones
202020204.0low000010
thioridazinephenothiazines;
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
1996201719.4low2011520
thiramorganic disulfideantibacterial drug;
antifungal agrochemical;
antiseptic drug
2010201014.0low000100
trazodonemonochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine
adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
2005201811.6low000230
trifluoperazineN-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
2005202212.6low300521
trihexyphenidylamine1997202014.0low001140
trimipraminedibenzoazepine;
tertiary amino compound
antidepressant;
environmental contaminant;
xenobiotic
1998199826.0low001000
troglitazonechromanes;
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
2012201212.0low000010
urethanecarbamate esterfungal metabolite;
mutagen
201920195.0low000010
vigabatringamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
2002200222.0low000100
zonisamide1,2-benzoxazoles;
sulfonamide
anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
2003201713.6low200230
zopiclonemonochloropyridine;
pyrrolopyrazine
central nervous system depressant;
sedative
2005200618.5low000200
zotepinedibenzothiepine;
tertiary amino compound
alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
1996202120.4low108711
corticosterone11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
1992201619.2low103820
prednisolone11beta-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
201220209.6low000070
lysergic acid diethylamideergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound
dopamine agonist;
hallucinogen;
serotonergic agonist
2001200123.0low000100
reserpinealkaloid 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
1999201619.8low002110
thyroxine2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine
antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
1998201614.8low101220
dextroamphetamine1-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
2001201017.3low000300
carbacholammonium salt;
carbamate ester
cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
2005200519.0low000100
prednisone11-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
2004202212.6low100311
dehydroepiandrosterone17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid
androgen;
human metabolite;
mouse metabolite
2007200717.0low100100
adrenochromeindoles2013201311.0low000010
alaninealanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid
EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
2009201611.0low000120
serineL-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2004201515.1low400730
aspartic acidaspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
2000200719.7low101200
lysineaspartate 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
200820238.5low000101
cyanidespseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor2002200222.0low000100
physostigminecarbamate ester;
indole alkaloid
antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
2004202313.3low000321
sucroseglycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
2006201711.7low100330
ethinyl estradiol17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound
xenoestrogen2011201113.0low000010
apomorphineaporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
1992201619.4low005640
tetrabenazinebenzoquinolizine;
cyclic ketone;
tertiary amino compound
2000201715.2low001230
adenosine diphosphateadenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate
fundamental metabolite;
human metabolite
2010201014.0low000100
bromodeoxyuridinepyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
2004201716.5low000510
carbostyrilmonohydroxyquinoline;
quinolone
bacterial xenobiotic metabolite2002202314.3low3000131893
phenylephrinephenols;
phenylethanolamines;
secondary amino compound
alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
2009200915.0low000100
levodopaamino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
1999201621.3low204410
edetic acidethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid
anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
2004200420.0low000100
adenosine monophosphateadenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate
adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
202220222.0low000001
n,n-dimethyltryptaminetryptamine alkaloid;
tryptamines
201920195.0low000010
methionineaspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid
antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
2004201616.2low100310
1,2-dipalmitoylphosphatidylcholine2008201015.3low000300
desoxycorticosterone20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
2003200619.5low000200
colchicinealkaloid;
colchicine
anti-inflammatory agent;
gout suppressant;
mutagen
202020204.0low000010
sodium citrate, anhydrousorganic sodium saltanticoagulant;
flavouring agent
2004200420.0low000100
cycloserine4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion
antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
2002200520.5low100200
cytarabinebeta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside
antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
201820186.0low100010
ornithinenon-proteinogenic L-alpha-amino acid;
ornithine
algal metabolite;
hepatoprotective agent;
mouse metabolite
201920195.0low000010
valineL-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine
algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
2004201615.6low100320
tryptophanerythrose 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
201220179.5low000020
argininearginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
2003201913.0low000110
acetylenealkyne;
gas molecular entity;
terminal acetylenic compound
201820186.0low000010
triamcinolone acetonide11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
202020204.0low000010
phencyclidinebenzenes;
piperidines
anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
1995202316.1low00810151
azobis(isobutyronitrile)201620168.0low000010
acrylic acidalpha,beta-unsaturated monocarboxylic acidmetabolite202220222.0low000001
methylprednisolone6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
200320208.3low000150
rotenoneorganic heteropentacyclic compound;
rotenones
antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
202020204.0low000010
n-vinyl-2-pyrrolidinonepyrrolidin-2-ones201420178.5low000040
n-vinyl-2-pyrrolidinonepyrrolidin-2-ones201420178.7low000030
quinoxalinesmancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene
2003200321.0low000100
phenothiazinephenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
2004200420.0low000100
somanphosphonic ester2009200915.0low000100
ethylene dimethacrylateenoate esterallergen;
cross-linking reagent;
polymerisation monomer
201620168.0low000010
quinuclidinesquinuclidines;
saturated organic heterobicyclic parent
2006202210.1low8005111
cyclohexanolcyclohexanols;
secondary alcohol
solvent2001201416.9low2001120
pyrrolespyrrole;
secondary amine
2008201713.5low000310
tetrahydrofurancyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound
polar aprotic solvent202020204.0low000010
thiophenesmancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound
non-polar solvent2001202211.3low000892
n,n'-methylenebisacrylamide202020204.0low000010
ergotaminepeptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
2002200222.0low000100
framycetinaminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
2013201311.0low000010
pregnenolone20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid
human metabolite;
mouse metabolite
2006200618.0low000200
yohimbinemethyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
2003200321.0low000100
benzoxazoles1,3-benzoxazoles;
mancude organic heterobicyclic parent
2007200916.2low000400
adamantaneadamantanes;
polycyclic alkane
201520159.0low000010
cyclopentanecycloalkane;
cyclopentanes;
volatile organic compound
non-polar solvent2008200816.0low000100
isoxazolesisoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
1995202013.1low110212300
oxazoles1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
2013201311.0low000010
thiazoles1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
1995202215.2low780151741074
triphenyltetrazoliumorganic cation2006200916.3low000300
ephedrinephenethylamine alkaloid;
phenylethanolamines
bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
2000200322.5low001100
hydrazineazane;
hydrazines
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor202220222.0low100001
azacitidineN-glycosyl-1,3,5-triazine;
nucleoside analogue
antineoplastic agent201820186.0low000010
galantaminebenzazepine 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
2004200718.5low000400
aminoimidazole carboxamideaminoimidazole;
monocarboxylic acid amide
mouse metabolite201120189.5low000020
cuprizoneorganonitrogen compound;
organooxygen compound
2014201410.0low000010
citrullineamino acid zwitterion;
citrulline
Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite
201920195.0low000010
fluorobenzenesmonofluorobenzenesNMR chemical shift reference compound1998200921.3low003300
bicucullinebenzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines
agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
201520159.0low000010
kainic aciddicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid
antinematodal drug;
excitatory amino acid agonist
2002200620.0low000200
thymoquinone1,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
201720234.0low000011
4-hydroxybutyric acid4-hydroxy monocarboxylic acid;
hydroxybutyric acid
general anaesthetic;
GHB receptor agonist;
neurotoxin;
sedative
2007200717.0low000100
alpha-aminopyridine2007201612.5low000110
podophyllotoxinfuronaphthodioxole;
lignan;
organic heterotetracyclic compound
antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
201820186.0low100010
methoxyhydroxyphenylglycolmethoxybenzenes;
phenols
2006201414.8low200310
methamphetamineamphetamines;
secondary amine
central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
2000202310.2low101353
malondialdehydedialdehydebiomarker2009201711.8low000220
lithium carbonatecarbonate salt;
lithium salt
antimanic drug1999202315.7low120241102
tripalmitintriglyceride201320188.5low000020
megestrol acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester
antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
2010201014.0low100100
glycopyrrolateorganic bromide salt;
quaternary ammonium salt
2012201212.0low000010
acetylcysteineacetylcysteine;
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
200920208.8low000140
clopenthixolN-alkylpiperazine;
primary alcohol;
thioxanthenes
alpha-adrenergic antagonist;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
1998202213.5low1021044
clopamidesulfonamide2006200618.0low100100
benzydaminearomatic ether;
indazoles;
tertiary amino compound
analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug
2009200915.0low000100
4-amino-3-phenylbutyric acidorganonitrogen compound;
organooxygen compound
201920195.0low000010
prothipendylaromatic amine;
tertiary amino compound
1995199529.0low001000
durapatite201520178.0low000020
arsenic trioxide2011201113.0low000010
d-alpha tocopherolalpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
2000202013.4low101220
s,n,n'-tripropylthiocarbamatetertiary amine2006202111.8low100661
dronabinolbenzochromene;
diterpenoid;
phytocannabinoid;
polyketide
cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
2004201414.5low100220
clothiapinedibenzothiazepine1998201119.7low001110
pimozidebenzimidazoles;
heteroarylpiperidine;
organofluorine compound
antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
1999202217.8low103711
benperidolaromatic ketone2012201212.0low000010
flupenthixolthioxanthenes2000202213.8low201943
acadesine1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue
antineoplastic agent;
platelet aggregation inhibitor
201820186.0low000010
tranylcypromine2-phenylcyclopropan-1-amine2007200717.0low100100
carbonatescarbon oxoanion201920195.0low000010
valnoctamidefatty amide201520159.0low000010
iodinated glyceroldioxolane2013201311.0low000010
limonenecycloalkene;
p-menthadiene
human metabolite2014201410.0low000010
n-methylaspartateamino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound
neurotransmitter agent1996201717.8low004340
molindoneindoles2000202212.3low601332
platinumelemental platinum;
nickel group element atom;
platinum group metal atom
202020204.0low000010
silvercopper group element atom;
elemental silver
Escherichia coli metabolite202020204.0low000010
technetiummanganese group element atom201620168.0low000010
titaniumtitanium group element atom2013201311.0low000010
ceriumf-block element atom;
lanthanoid atom
2006200618.0low000100
goldcopper group element atom;
elemental gold
201620225.0low000011
hypochlorous acidchlorine oxoacid;
reactive oxygen species
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite
1997200225.2low003100
camptothecindelta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
2004200420.0low100100
deuteriumdihydrogen2013201311.0low000010
glycerol 1-stearate1-acylglycerol 18:0;
rac-1-monoacylglycerol
algal metabolite;
Caenorhabditis elegans metabolite
201720177.0low000020
galactose201720177.0low000010
poloxaleneepoxide2013201311.0low000010
4-chloro-7-nitrobenzofurazanbenzoxadiazole;
C-nitro compound;
organochlorine compound
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.6.1.3 (adenosinetriphosphatase) inhibitor;
fluorescent probe;
fluorochrome
2014201410.0low000010
titanium dioxidetitanium oxidesfood colouring2013201311.0low000010
metopimazinephenothiazines2008200816.0low000100
selegilineselegiline;
terminal acetylenic compound
geroprotector1999201219.3low101410
eedq2000201019.0low001100
tetradecanoylphorbol acetateacetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester
antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
201620168.0low000010
metergolinecarbamate ester;
ergoline alkaloid
dopamine agonist;
geroprotector;
serotonergic antagonist
1999199925.0low001000
cephapirincephalosporinantibacterial drug201720177.0low000010
bromocriptineindole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
2000202315.4low001501
phenyl acetatebenzenes;
phenyl acetates
1999200322.8low002300
cetylpyridinium chloride anhydrouschloride salt;
organic chloride salt
antiseptic drug;
surfactant
2009201014.5low200200
n-chlorosuccinimidedicarboximide;
pyrrolidinone
2014201410.0low000010
pregnanolone3-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid
human metabolite;
intravenous anaesthetic;
sedative
2000200919.0low001500
dihydro-beta-erythroidinedelta-lactone;
organic heterotetracyclic compound;
tertiary amino compound
nicotinic antagonist2008200816.0low000100
glutamic acidglutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
1996201717.1low002450
azidespseudohalide anionmitochondrial respiratory-chain inhibitor2007200717.0low000100
tramadol2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
2002200222.0low000100
oxcarbazepinecyclic ketone;
dibenzoazepine
anticonvulsant;
drug allergen
2003201912.9low000440
canadinearomatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle
2013201311.0low000010
s-adenosylmethioninesulfonium betainehuman metabolite2012201212.0low000010
cyclindole201720177.0medium000010
paclitaxeltaxane diterpenoid;
tetracyclic diterpenoid
antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
201920195.0low100010
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
201820186.0low100010
substance ppeptideneurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent
201620196.5low000020
1-methyl-4-phenylpyridiniumpyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
2011201411.5low000020
epirubicinaminoglycoside;
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
2002202013.0low000110
paroxetinearomatic ether;
benzodioxoles;
organofluorine compound;
piperidines
antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
2000201917.4low9012850
pergolidediamine;
methyl sulfide;
organic heterotetracyclic compound
antiparkinson drug;
dopamine agonist
1992199232.0low001000
fluperlapinebenzazepine1996199727.5low002000
fomesafenaromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols
agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
2005202011.5low000110
fenoxycarbaromatic ether;
carbamate ester
environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic
2002200222.0low000100
haloperidol decanoateorganic molecular entity2003201713.5low000330
simvastatindelta-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
201320207.5low000060
idazoxanbenzodioxine;
imidazolines
alpha-adrenergic antagonist2003201517.0low000310
remoxipridedimethoxybenzene1996200924.3low105200
quinpirolepyrazoloquinolinedopamine agonist1999200818.9low002600
pravastatin3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)
anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
2009200915.0low000100
atomoxetine hydrochloridehydrochlorideadrenergic uptake inhibitor;
antidepressant
2008202311.2low200231
raloxifene hydrochloridehydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
2006200618.0low000100
mifepristone3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound
abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
2003200918.0low100300
itraconazolearomatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor
201720177.0low000010
eticlopridesalicylamides201520159.0low000010
finasteride3-oxo steroid;
aza-steroid;
delta-lactam
androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
2008200816.0low000100
naxagolideorganic heterotricyclic compound;
phenols;
tertiary amino compound
anticonvulsant;
antiparkinson drug;
dopamine agonist
2009200915.0low100100
n 0437, (-)-isomertetralins201620168.0low000010
sertindoleheteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole
alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
1995202321.1medium30281691
tiagabinebeta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes
anticonvulsant;
GABA reuptake inhibitor
2003200619.5low000200
aripiprazolearomatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
2002202310.5medium490013118756
xanomelinetetrahydropyridine;
thiadiazoles
muscarinic agonist;
serotonergic agonist
1996199628.0low001000
atorvastatinaromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)
environmental contaminant;
xenobiotic
2009201512.0low000110
duloxetine hydrochlorideduloxetine hydrochlorideantidepressant2005201415.4low000620
irinotecancarbamate 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
2004200420.0low100100
valsartanbiphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
2011201113.0low000010
ziprasidone1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines
antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
1995202315.2high71014165965
capecitabinecarbamate ester;
cytidines;
organofluorine compound
antimetabolite;
antineoplastic agent;
prodrug
201820186.0low000010
cathinone2-aminopropiophenone;
monoamine alkaloid
central nervous system stimulant;
psychotropic drug
201520159.0low000010
tenocyclidinepiperidines;
tertiary amino compound;
thiophenes
central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist
2002200222.0low000100
cyamemazinephenothiazines2013201311.0low000010
pipothiazine202120213.0medium000001
venlafaxine hydrochloridehydrochloride2001202312.2low3001064
glucose, (beta-d)-isomerD-glucopyranoseepitope;
mouse metabolite
202020213.3low000012
thiazolyl blueorganic bromide saltcolorimetric reagent;
dye
2008201114.5low000110
5-methylcytosinemethylcytosine;
pyrimidines
human metabolite201820186.0low000010
n-acetylaspartic acidN-acetyl-L-amino acid;
N-acyl-L-aspartic acid
antioxidant;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite
2000200719.7low101200
fluorexonxanthene dyefluorochrome2014201410.0low000010
aica ribonucleotide1-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole
cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
2011201113.0low000010
salvinabietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
202020204.0low000010
glutathione disulfideglutathione derivative;
organic disulfide
Escherichia coli metabolite;
mouse metabolite
201620168.0low000010
milnacipranacetamides2007201115.3low000210
telmisartanbenzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
2008201910.2low200130
bromosuccinimidedicarboximide;
organobromine compound;
pyrrolidinone
reagent2006200618.0low000100
triazoles1,2,3-triazole200820229.5low100121
setoperone1998200523.3low202100
fluorodeoxyglucose f182-deoxy-2-((18)F)fluoro-D-glucose;
2-deoxy-2-fluoro-aldehydo-D-glucose
2005201715.2low100310
sertralinedichlorobenzene;
secondary amino compound;
tetralins
antidepressant;
serotonin uptake inhibitor
1999202312.0low250217215
budipinediarylmethane1999199925.0low001000
pirlindolecarbazoles2003200321.0low000100
mesulergineergot alkaloid;
sulfamides
antiparkinson drug;
dopamine agonist;
serotonergic antagonist
201520159.0low000010
tianeptinedibenzothiazepine;
monocarboxylic acid;
organochlorine compound
2010201611.2low000130
5-hydroxymethylcytosineaminopyrimidine;
aromatic primary alcohol;
nucleobase analogue;
pyrimidone
human metabolite;
mouse metabolite
201820186.0low000010
n-methylscopolamine2000200024.0low001000
hp 8731,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
2002202011.5medium400390
voriconazoleconazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug
P450 inhibitor201220179.5low000020
2-tetradecylglycidic acid2014201410.0low000010
methotrimeprazinephenothiazines;
tertiary amine
anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
1999202213.1low102342
amperozidediarylmethane;
monofluorobenzenes;
N-alkylpiperazine;
secondary carboxamide;
ureas
anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
1995200026.7low003000
2',7'-dichlorodihydrofluorescein diacetate2012201212.0low000010
rivastigminecarbamate ester;
tertiary amino compound
cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
2003202316.1low000711
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
2009201412.3low100120
s20098acetamides2005200519.0low000100
clarithromycinmacrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
2009200915.0low000100
epidepridedimethoxybenzene2000200919.5low001100
nicotine3-(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
200820227.3low100111
n-desmethylclobazambenzodiazepine2011201113.0low000010
fibrinogeniditolfungal metabolite2007200916.0low200300
homocysteineamino acid zwitterion;
homocysteine;
serine family amino acid
fundamental metabolite;
mouse metabolite
2006201711.7low000120
1-methyl-1,2,3,4-tetrahydroisoquinolineisoquinolines201920214.0low000011
glucuronic acidD-glucuronic acidalgal metabolite201720177.0low000010
tetrahydrodeoxycorticosterone21-hydroxy steroid2003200619.5low000200
perindoprilalpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
201520159.0low000010
3-iodo-2-hydroxy-6-methoxy-n-((1-ethyl-2-pyrrolidinyl)methyl)benzamide1996200423.7low707400
rx 821002benzodioxine;
cyclic ketal;
imidazolines
alpha-adrenergic antagonist2003201515.0low000110
tamibarotenedicarboxylic acid monoamide;
retinoid;
tetralins
antineoplastic agent;
retinoic acid receptor alpha/beta agonist
2013201311.0low000010
deoxyglucose2000200819.8low001300
n-n-propyl-n-phenylethyl-4(3-hydroxyphenyl)ethylamine hydrochloride1996199628.0low001000
1-(carboxymethylthio)tetradecanestraight-chain fatty acid2012201212.0low000010
perospironeN-arylpiperazine2000201217.7low401720
afdx 3842007200717.0low000100
pramipexolebenzothiazoles;
diamine
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
1997201414.7low101230
hydroxypropylmethylcellulose acetate succinate202020204.0low000010
3-quinuclidinyl-4-iodobenzilate2007200717.0low000100
a 689302-benzopyran1996199628.0low001000
angiotensin ii, des-phe(8)-amino acid zwitterion;
angiotensin
vasodilator agent202120213.0low000001
3-hydroxymethyl-2,2,5,5-tetramethylpyrroline-n-oxyl2010201014.0medium000100
l 6874142013201311.0low000010
blonanserinorganic molecular entity201420207.2low100040
reboxetinearomatic ether2002202114.1low600731
3-n-(2-fluoroethyl)spiperone2004200420.0low100100
umifenovirindolyl carboxylic acid202020204.0low000010
fosamprenavirsulfonamideprodrug2014201410.0low100010
4b,5,9b,10-tetrahydroindeno(1,2-b)indole2010201014.0medium000100
1-(4-bromophenylaminocarbonyl)-4,5-diphenyl-3-pyrazolidinone1997199727.0low001000
sonepiprazole2004200718.5medium100200
l 741626piperidines2008201511.7low000120
aspartamecarboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester
apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic
2009200915.0low100100
beta-lactamsbeta-lactam antibiotic allergen;
beta-lactam
2009200915.0low000100
prolineamino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid
algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
2009201810.5low000110
escitalopram1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileantidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
202120213.0low000001
bdp 12N-acylpiperidine2006200817.0low100200
moxifloxacinaromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
antibacterial drug202020204.0low100020
ym 09151-2N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide2001201316.3low000210
cerium sulfate2006200618.0low000100
asenapine5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole1995202211.2medium14019291
clorazepate dipotassiumpotassium saltanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
2007200717.0low000100
atropine2000201216.2low101210
ropivacainepiperidinecarboxamide;
ropivacaine
local anaesthetic2012201212.0low000010
psylliumvery long-chain fatty acid202120213.0low000001
24,25-oxidolanosterol202220222.0medium000001
bifeprunoxbiphenyls2008200915.5low000200
darunavircarbamate ester;
furofuran;
sulfonamide
antiviral drug;
HIV protease inhibitor
202020204.0low000010
lanosterol14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid
bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
202220222.0low000001
benzofurans2008200816.0low000100
ibogaine2011201113.0low000010
ritonavir1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas
antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
2002201613.3low100120
5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile2001200123.0medium000100
dihydropyridines2007200717.0low000100
carboplatin201920223.9low800054
lithium chlorideinorganic chloride;
lithium salt
antimanic drug;
geroprotector
2000201118.1low101610
glycogen2005201216.4low000410
oxytocinheterodetic cyclic peptide;
peptide hormone
oxytocic;
vasodilator agent
201020217.0low000111
inositol 1,4,5-trisphosphatemyo-inositol trisphosphatemouse metabolite2007200717.0low000100
ouabain11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone
anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
2006200618.0low000100
sb 243213indolyl carboxylic acid2009200915.0low000100
betadexcyclodextrin2001201813.4low000230
arachidonic acidicosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite
2007201115.0low000110
resveratrolresveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
201920195.0low000010
retinolretinol;
vitamin A
human metabolite;
mouse metabolite;
plant metabolite
202020204.0low000010
oleic acidoctadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
202220222.0low000001
tacrolimusmacrolide lactambacterial metabolite;
immunosuppressive agent
201520159.0low000010
cocainebenzoate 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
1997201318.2low102520
mycophenolic acid2-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
201520159.0low000010
benzoylecgoninebenzoate ester;
tropane alkaloid
epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite
2003200321.0low100100
h 89N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide201520159.0low000010
melphalanL-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
201720225.2low100031
enkephalin, leucinepentapeptide;
peptide zwitterion
analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite
2002201913.0low000120
sodium acetate, anhydrousorganic sodium saltNMR chemical shift reference compound201920195.0low000010
isomethyleugenolisomethyleugenol202320231.0low000001
cannabidiololefinic compound;
phytocannabinoid;
resorcinols
antimicrobial agent;
plant metabolite
2010201511.5low000110
malonyl coenzyme amalonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite
2012201212.0low000010
tropisetronindolyl carboxylic acid200120229.0low100102
leuprolideoligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
2010201014.0low000100
chlorprothixenechlorprothixene1999202315.5low101201
cotinineN-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid
antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
202020204.0low000010
benztropinediarylmethane2000201218.9low101610
methimazole1,3-dihydroimidazole-2-thionesantithyroid drug2009201511.0low000120
capsaicincapsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
202020204.0low000010
D-fructopyranosecyclic hemiketal;
D-fructose;
fructopyranose
sweetening agent1999201617.2low7021550
capsazepinebenzazepine;
catechols;
monochlorobenzenes;
thioureas
capsaicin receptor antagonist202020204.0low000010
tamoxifenstilbenoid;
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
202220222.0low000002
1,1-diphenyl-2-picrylhydrazyl201620168.0low000010
3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2h-tetrazolium2004200420.0low000100
ranitidineC-nitro compound;
furans;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
201320169.5low200020
u 0126aryl sulfide;
dinitrile;
enamine;
substituted aniline
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
2010201014.0low000100
pica2008202010.2low000230
lithiumalkali metal atom1998202316.0low160740148
nizatidine2000200919.6low401600
raclopridesalicylamides1998201717.0low505960
orlistatbeta-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
2008201612.0low400130
thioperamideprimary aliphatic amine2008200816.0low000100
sch 23390benzazepine201320159.7low000030
dipalmitoylphosphatidylserinephosphatidyl-L-serine2008201015.0low000200
crocin2014201410.0low100010
sb 2420842007201612.5low000110
2-chloro-5-hydroxyphenylglycine2005200519.0low000100
alpha-chymotrypsin202120213.0low000001
sb 415286C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline
antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
201920195.0low000010
sb 408124organohalogen compound;
quinolines
2013201311.0low000010
3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanolalkylbenzene;
ring assembly
2008200816.0low000100
rhodamine 123organic cation;
xanthene dye
fluorochrome2006200618.0low000100
myelin basic protein2003200321.0low000100
dinoprostoneprostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
2011201610.5low000020
vitamin k semiquinone radical2008200816.0low000100
8,11,14-eicosatrienoic acidfatty acid 20:3;
long-chain fatty acid
fungal metabolite;
human metabolite;
nutraceutical
201620168.0low000010
esculetinhydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter
201720177.0low000010
humulenealpha-humulene1999202110.2low101041
sdz psc 833homodetic cyclic peptide2006200618.0low000100
coenzyme q10ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite
2005200519.0low100100
anandamideendocannabinoid;
N-acylethanolamine 20:4
human blood serum metabolite;
neurotransmitter;
vasodilator agent
201520159.0low000010
1-palmitoyl-2-oleoylglycero-3-phosphoglycerolphosphatidylglycerol201720177.0low000010
n-oleoylethanolamineendocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1
EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
2008200816.0low000100
1-palmitoyl-2-oleoylglycero-3-phosphoserine3-sn-phosphatidyl-L-serine2008201015.3low000300
codeinemorphinane alkaloid;
organic heteropentacyclic compound
antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
2005200519.0low000100
granisetronaromatic amide;
indazoles
200720217.2low300131
levetiracetampyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
201420207.0low000040
nalmefenemorphinane alkaloid201520159.0low000010
naloxonemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol
antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
1998201519.0low002210
vitamin k 1phylloquinones;
vitamin K
cofactor;
human metabolite;
plant metabolite
2010201014.0low000100
sirolimusantibiotic 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
202120213.0low000001
topiramatecyclic ketal;
ketohexose derivative;
sulfamate ester
anticonvulsant;
sodium channel blocker
1999202016.7low7021560
morphinemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
2002201713.3low000240
dexmedetomidinemedetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
201420215.5low000031
sb 277011201420159.5low000020
goserelinorganic molecular entity2005200519.0low000100
mdl 1009071998202315.8low1031041
mdl 1009072005202014.9low1001040
fluvoxamine(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime
antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
1999202318.8low5021711
ag-490catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide
anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor
2007201015.5low000200
aluminumboron group element atom;
elemental aluminium;
metal atom
201820186.0low000010
arsenicmetalloid atom;
pnictogen
micronutrient2011201113.0low000010
naltrexonecyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound
antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
201220234.2low140001817
lisinoprildipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2010201014.0low000100
ramiprilazabicycloalkane;
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
2011201113.0low000010
sulfurchalcogen;
nonmetal atom
macronutrient202020204.0low000010
methylazoxymethanol acetateazoxy compound202020213.7low000021
cysteinecysteiniumfundamental metabolite2005201016.5low100200
phosphorusmonoatomic phosphorus;
nonmetal atom;
pnictogen
macronutrient2005200519.0low000100
heroinmorphinane alkaloidmu-opioid receptor agonist;
opioid analgesic;
prodrug
201620168.0low000010
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid2010201014.0low000100
pregabalingamma-amino acidanticonvulsant;
calcium channel blocker
201920233.0low000011
tiapridexbenzamides201720177.0low000010
palonosetronazabicycloalkane;
delta-lactam;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
200620238.8low11005142
dizocilpine maleatemaleate salt;
tetracyclic antidepressant
anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
1995202213.7low0056133
ciproxifanaromatic ketone1999199925.0low001000
methylazoxymethanolazoxy compound202020204.0low000010
1-palmitoyl-2-oleoylphosphatidylcholine201720177.0low000010
clopenthixol acetate esterthioxanthenes2003202211.5low000101
clopenthixol decanoate2009200915.0low000100
netupitantaminopyridine;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
toluenes
antiemetic;
neurokinin-1 receptor antagonist
202320231.0low000001
oxepins2008200816.0low000100
govadine201520159.0medium000010
s-nitroso-n-acetylpenicillaminenitroso compound;
nitrosothio compound
nitric oxide donor;
vasodilator agent
2009200915.0low000100
sb 269970sulfonamide201520159.0low000010
sb 334867-anaphthyridine derivative2007200717.0low000200
6 beta-hydroxycortisol11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
human metabolite;
mammalian metabolite;
probe
1998199826.0low101000
morphinansisoquinoline alkaloid fundamental parent;
morphinane alkaloid
201720177.0low000010
ergolinediamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound
201520159.0low000010
enkephalin, leucine-2-alanine2006200618.0low000100
tiapamil hydrochloride2003200321.0low000100
vofopitant2005200519.0low000100
rwj-333369organochlorine compound201720177.0low000010
vildagliptinamino acid amide201520159.0low000010
sb 3998852011201511.0low000020
hypericumpenicillanic acids2000200024.0low002000
desvenlafaxine succinate202020204.0low000010
amoxicillin-potassium clavulanate combination2007200717.0low000100
etomoxiraromatic ether2014201410.0low000010
cp 911492007200717.0low000100
paliperidone palmitate1,2-benzoxazoles;
fatty acid ester;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine
200620228.7low10007527
mocetinostataminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
1997199826.5low002000
slv 3132009200915.0low000100
flb 4572010201014.0low000200
sorbitan monooleatefatty acid ester201720177.0low000010
tofacitinibN-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound
antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
201720177.0low000010
pitolisantorganochlorine compound201620168.0low000010
n-((1-allyl-2-pyrrolidinyl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamide2005201912.0low200110
2-carbomethoxy-8-(3-fluoropropyl)-3-(4-iodophenyl)tropane2001200123.0low000100
pimavanserinaromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas
5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist
201720225.3low000021
opc-148572013201311.0low000020
gsk215083202020204.0medium000010
delphinidin 3-sambubiosideanthocyanidin 3-O-beta-D-sambubiosideapoptosis inducer;
metabolite
202120213.0low000001
ly 379268amino dicarboxylic acid;
bridged compound;
organic heterobicyclic compound
antipsychotic agent;
anxiolytic drug;
metabotropic glutamate receptor agonist;
neuroprotective agent
201620168.0low000020
oxadiazoles2011201212.5low000020
5-formylcytosineaminopyrimidine;
heteroarenecarbaldehyde;
nucleobase analogue;
pyrimidone
metabolite201820186.0low000010
cariprazine201920204.5low000020
brimonidine tartrate2003200321.0low000100
lurasidone hydrochloridehydrochlorideadrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
201120236.3low7000227
sb 7424572013201311.0low000010
lisdexamfetamine dimesylate201520168.5low000020
ru 666472005200519.0low000100
losartan potassium2006200618.0low000100
tp 72006200618.0low000100
empagliflozinaromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether
hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
202120213.0low000001
technetium tc 99m exametazime1999200323.0low101100
scopolamine hydrobromide1999201319.7low002310
brexpiprazoleN-arylpiperazine201720233.2low000033
pituitrin201020217.0low000111
rm-493202120213.0low000001
mefloquine2011201113.0low000010
org 265762012201212.0medium000010
jawindolecarboxamide1999200522.7low002100
cholecystokinin2010201213.0low000230
glucagonpeptide hormone1999202211.9low101141
neuropeptide y2003202011.9low3004100
liraglutidelipopeptide;
polypeptide
glucagon-like peptide-1 receptor agonist;
neuroprotective agent
200820226.5low500173
glucagon-like peptide 12008201712.0low000130
c-peptide1999201914.8low501650
celluloseglycoside201020209.2low000140
phosphatidylcholines1,2-diacyl-sn-glycero-3-phosphocholine2010201710.5low000110
dihydroceramide202120213.0low000001
ubiquinone2005200519.0low100100
chitosan2014201410.0low000010
ro13-99042005200718.0low000200
ethyl celluloseglycoside2010201014.0low000100
rg 16782014201410.0low100010
ro51660172013201311.0low000010
quetiapine fumaratefumarate salt1995202414.3high10705336224063
cardiovascular agents2013201311.0low000010
neurotensinpeptide hormonehuman metabolite;
mitogen;
neurotransmitter;
vulnerary
1998201119.3low001110
cobicistat1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas
P450 inhibitor202020204.0low000010
glycolipids201820186.0low000010
piperidines1995202014.5low130621270
interleukin-8202020204.0low000010
cort 1082972010201014.0low000100
hydroxocobalamin2010201014.0low000100
exenatide202020204.0low000010
kavain2-pyranones;
aromatic ether
2002200222.0low000100
tak-063201820186.0low000010
aripiprazole lauroxilaromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist
202020204.0low000010
methylcellulose201020209.0low000110
heme2003200321.0low000100
ascorbic acidascorbic acid;
vitamin C
coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
1998201019.0low001300
minocycline201320207.5low000020
salicylatesmonohydroxybenzoateplant metabolite202320231.0low000001
piroxicambenzothiazine;
monocarboxylic acid amide;
pyridines
analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
201420178.5low000020
warfarinbenzenes;
hydroxycoumarin;
methyl ketone
2005201714.7low000210
kaolinitealuminosilicate mineral;
mixture
antidiarrhoeal drug;
excipient
201520159.0low000010
semaglutidelipopeptide;
polypeptide
anti-obesity agent;
appetite depressant;
glucagon-like peptide-1 receptor agonist;
hypoglycemic agent;
neuroprotective agent
202320231.0low100001
2-phytyl-1,4-naphthoquinonephylloquinones2010201014.0medium000100
naloxegolaromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol
cathartic;
mu-opioid receptor antagonist
201720177.0low000010
okadaic acidketal2005200519.0low000100
bgp 152010201014.0low100100
selinexor202220222.0low100001
ly 21400232008201313.0medium300130
peptide yy2011201113.0low000010
angiotensin iangiotensin;
peptide zwitterion
human metabolite;
neurotransmitter agent
202120213.0low000001
n-(1-(3,4-difluorobenzyl)piperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine2012201311.5high300040
peoniflorin202020204.0low000010
vitamin b 12201120209.0low000030
humulin s202220222.0low100001
lysergic acid2001200123.0low000100
cyclosporine2006201811.0low000120
peptide yy2008201213.7low000120
exudates2006201911.5low000110
cyclic gmp3',5'-cyclic purine nucleotide;
guanyl ribonucleotide
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
2003200321.0low000100
guanosine triphosphateguanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate
Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
2010201014.0low000100
folic acidfolic acids;
N-acyl-amino acid
human metabolite;
mouse metabolite;
nutrient
2001201417.0low000310
guanosine 5'-o-(3-thiotriphosphate)nucleoside triphosphate analogue1999200124.0low002100
rifampincyclic 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
201920214.0low100011
clozapinebenzodiazepine;
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
1992202316.7medium113017346722554
dacarbazinedacarbazine2011201511.0low000020
norclozapinedibenzodiazepine;
organochlorine compound;
piperazines
delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
2000201317.0low101420
sildenafil citratecitrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
2002201217.0low100110
aprepitant(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles
antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
200520237.6low16004213
fosaprepitant(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles
antiemetic;
neurokinin-1 receptor antagonist;
prodrug
201620234.4low400032
asoxime chloride2009200915.0low000100
desmethylolanzapinebenzodiazepine2001202012.5high000470
5-methyltetrahydrofolate202120213.0low000001
heme arginate2003200321.0low000100
olanzapine-fluoxetine combination2004201215.1medium300520
maltodextrin202020204.0low000010
carbidopa2002200222.0low000100
technetium tc 99m bicisate2005201016.5low100200
leptin1999202314.1low210238263
pyrimidinones1998200523.3low202100
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
2019 Novel Coronavirus Disease0202020223.4low000095
47,XX,+2102001200819.5low000200
48,XXYY Syndrome02002200222.0low000100
A-V Dissociation02002200222.0low000100
Abdominal Epilepsy0201720177.0low000010
Abdominal Migraine02002202311.0low000211
Abdominal Obesity02012201212.0low000010
Abdominal Pain02001200123.0low100100
Abnormal Deep Tendon Reflex0201520159.0low000010
Abnormal Movements02003200918.4low100500
Abnormalities, Autosome02009200915.0low000100
Abnormalities, Drug-Induced02000202311.1low001323
Abnormalities, Multiple02006200618.0low000100
Abnormalities, Musculoskeletal02007200717.0low000100
Abnormality, Heart0200720236.3low000102
Abortion, Spontaneous02000200024.0low001000
Abortion, Tubal02000200024.0low001000
Absence of Brain, Congenital02007200717.0low000100
Absence Seizure01996202117.8low0051551
Absence Status02009201711.0low000110
Abstinence Syndrome, Neonatal02007200717.0low000100
Academic Disorder, Developmental02008200816.0low000100
Acathisia, Drug-Induced01996202117.8low1902023201
Acetonemia02002201913.5low000110
Acetyl-CoA:alpha-Glucosaminide N-Acetyltransferase Deficiency02009200915.0low000100
Achalasia02008200816.0low000100
Ache02002202015.7low2001040
Acid Aspiration Syndrome0202120213.0low000001
Acidosis, Diabetic01999202317.5low1032061
Acne02000201019.0low001100
Acne Vulgaris02000201019.0low001100
Acoustic Perceptual Disorder02008200816.0low000100
Acquired Autoimmune Hemolytic Anemia02005200519.0low000100
Acquired Communication Disorders02002200222.0low000100
Acquired Meningocele02006200618.0low000100
Acrania02001200123.0low000100
Actinic Reticuloid Syndrome02007201813.0low000210
Action Tremor01997201219.8low204510
Acute Brain Injuries02000201019.1low001600
Acute Confusional Senile Dementia01996202217.3low20044856
Acute Disease01997202217.6low73023126371
Acute Disseminated Encephalomyelitis02003200321.0low000100
Acute Edematous Pancreatitis02000201617.4low002820
Acute Hepatic Failure0201620168.0low000010
Acute Hypercapnic Respiratory Failure02001202215.0low000511
Acute Kidney Failure02003202211.6low000542
Acute Kidney Injury02003202211.6low000542
Acute Liver Injury, Drug-Induced02000202211.6low0017152
Acute Necrotizing Pancreatitis02001200123.0low000100
Acute Onset Vascular Dementia02002200819.0low1001100
Acute Porphyria02003200321.0low000100
Acute Post-Traumatic Stress Disorder02001202016.1low4001340
Acute Promyelocytic Leukemia02011201113.0low000010
Acute Relapsing Multiple Sclerosis0202020204.0low000010
Acute Respiratory Distress Syndrome0201020209.0low000110
Acute Stress Disorders0202020232.5low000011
Acute Symptom Flare0202020204.0low200020
Acute-Phase Reaction02001200123.0low100100
ADDH01998201716.6low402740
Addiction, Opioid0200920227.2low100132
Addison Disease and Cerebral Sclerosis02003200321.0low000100
Addison's Anemia02010201014.0low000100
Adenocarcinoma0202320231.0low000001
Adenocarcinoma, Basal Cell0202320231.0low000001
Adenoma02005201016.5low000200
Adenoma Sebaceum0201620168.0low000010
Adenoma, Basal Cell02005201016.5low000200
Adenoma, beta-Cell0202020204.0low000010
Adenoma, Prolactin-Secreting, Pituitary02010201014.0low000100
Adenoma, Prostatic02007200717.0low000100
Adiadochokinesis0202020204.0low000010
Adipocere02001201815.2low000330
Adjustment Disorder0201920195.0low000010
Adjustment Disorders0201920195.0low000010
Adjustment Sleep Disorder0201620168.0low000010
Adolescent Gynecomastia02005200718.2low100600
Adrenocorticotropic Hormone, Inappropriate Secretion0201720177.0low000010
Adrenoleukodystrophy02003200321.0low000100
Adult Neuronal Ceroid Lipofuscinosis02001200123.0low100100
Adult Spinal Muscular Atrophy0201620168.0low000010
Adult-Onset Dystonias01999200921.2low001300
Adverse Drug Event0200420239.1low50010287
Affective Disorders01998201917.1low3031890
Affective Disorders, Psychotic01998202016.7low5041190
Affective Psychosis, Bipolar01997202315.5low14705134617529
Aganglionic Megacolon0201520159.0low000010
Age-Related Memory Disorders02004202313.7low6001281
Age-Related Osteoporosis02003200619.5low000200
Aggression01998202115.6low270445223
Aging01998202313.0low203333
Agitated Emergence0202320231.0low000001
Agitation, Psychomotor01999202314.1low380365429
Agoraphobia02000200620.0low101300
Agranulocytosis01997202221.0low1019841
Air Sickness0202320231.0low100001
Airway Hyper-Responsiveness02001200123.0low000100
Airway Obstruction02011201113.0low000010
Akinetic Autism02008200816.0low000100
Akinetic-Rigid Variant of Huntington Disease01999201917.8low2031260
Alcohol Abuse01999202015.2low703560
Alcohol Drinking02000201119.2low301610
Alcoholic Intoxication0201220199.8low000040
Alcoholism11999202015.2low703560
Alkalosis, Respiratory0202120213.0low000001
Allergic Contact Dermatitis02010201014.0low000100
Allergic Cutaneous Angiitis02005200618.5low000200
Allergic Encephalomyelitis0202220222.0low000001
Allergic Reaction02005200519.0low000100
Allergy, Drug02000201814.8low001340
Allodynia02012201212.0low000010
Allotriophagy02008202010.2low000230
Alloxan Diabetes02008201015.0low000200
Alpers Diffuse Degeneration of Cerebral Gray Matter with Hepatic Cirrhosis02003200321.0low000100
Altered Level of Consciousness02010201710.5low000110
Alzheimer Disease01996202217.3low20044856
Ambulation Difficulty02011201113.0low000010
Ambulation Disorders, Neurologic02003200918.0low000200
Amenorrhea01998201120.1low102410
Amentia01997202316.4low70664146
Amnesia02002200620.0low000200
Amnesia-Memory Loss02002200620.0low000200
Amphetamine Abuse02003201814.7low200520
Amphetamine-Related Disorders02003201814.7low200520
Anankastic Personality01996202118.8low1901739111
Anaphylactic Reaction02012201212.0low000010
Anaphylaxis02012201212.0low000010
Anaplastic Astrocytoma02009200915.0low000100
Anasarca02003202212.9low000632
Anemia02005202011.5low000110
Anemia, Aplastic0201820186.0low000010
Anemia, Fanconi0201620168.0low000010
Anemia, Hemolytic, Autoimmune02005200519.0low000100
Anemia, Hypoplastic0201820186.0low000010
Anemia, Megaloblastic02007200717.0low000100
Anesthesia01996200722.0low001200
Anesthesia Related Hyperthermia02001200123.0low000100
Aneurysm, Anterior Cerebral Artery02011201113.0low000010
Aneurysm, Aortic0201720177.0low000010
Angiitis, Central Nervous System02009200915.0low000100
Angina Pectoris02006200618.0low100100
Angioedema02012201411.0low000020
Angioneurotic Edema02012201411.0low000020
Angor Pectoris02006200618.0low100100
Anhedonia02011201113.0low000010
Anochlesia01992201818.0low0091390
Anomalous Ventricular Excitation Syndrome02004200420.0low000100
Anorexia12004202310.6low500514
Anorexia Nervosa11999202314.3low140330184
Anoxemia02012201212.0low000010
ANS (Autonomic Nervous System) Diseases02000201815.0low101010
Anterior Cerebral Circulation Infarction02008200915.5low000200
Anterior Choroidal Artery Infarction02004201415.2low000220
Anterior Circulation Transient Ischemic Attack02005202314.5low000301
Anterior Fascicular Block02006200618.0low000100
Anti-MuSK Myasthenia Gravis0201720177.0low000010
Anti-N-Methyl-D-Aspartate Receptor Encephalitis0201520206.7low000070
Anti-Phospholipid Antibody Syndrome02005200917.0low000200
Anticholinergic Syndrome02013201311.0low000010
Anticipatory Vomiting02006200618.0low000100
Antidiuretic Hormone, Inappropriate Secretion02007201015.5low000200
Antiphospholipid Syndrome02005200917.0low000200
Antisocial Behavior01999202114.0low001001
Anton Syndrome02012201212.0low000010
Anxiety11998202113.3low100214163
Anxiety Disorders02000202314.8low6021351
Anxiety Neuroses02000202314.8low6021351
Aortic Aneurysm0201720177.0low000010
Aortic Arteritis, Giant Cell02013201311.0low000010
Apoplexy02004201617.3low0001630
Appetite Disorders02002202210.6low000251
Apraxia02002200222.0low000100
Apraxias02002200222.0low000100
Aprosodia01998200322.7low101200
Aqueductal Stenosis02003200321.0low000100
ARFID0201920195.0low000010
Arrhythmia02000202216.5low1011041
Arrhythmias, Cardiac02000202216.5low1011041
Arteriosclerosis, Coronary02004201315.2low100220
Arthritis, Juvenile02013201311.0low000010
Arthritis, Juvenile Chronic02013201311.0low000010
As If Personality02001202214.3low100411
Asialia01998201220.4low402210
Asperger Disease02006201714.8low200310
Asperger Syndrome02006201714.8low200310
Astasia-Abasia02013201311.0low000010
Asthenia02002200222.0low100100
Asthma01999199925.0low002000
Asthma, Bronchial01999199925.0low002000
Astrocytoma02009200915.0low000100
Astrocytoma, Grade IV0201120228.0low000021
Asymptomatic Colonization0202020204.0low000010
Asystole02007202211.5low000211
Ataxia02009200915.0low000100
Atherogenesis0201520216.0low000021
Atherosclerosis0201520216.0low000021
Atherosclerotic Parkinsonism01997202017.3low107270
Athetoid Movements02005200519.0low000100
Atrial Fibrillation02008201512.7low000120
Atrial Septal Defect02012201212.0low000010
Atrioventricular Block02011201113.0low000010
Atrioventricular Conduction Block02011201113.0low000010
Atrioventricular Nodal Re-Entrant Tachycardia0202220222.0low000001
Atrophy02004202312.2low000622
Attention Deficit and Disruptive Behavior Disorders02003201315.1low300550
Attention Deficit and Disruptive Behavioral Disorders02003201315.1low300550
Attention Deficit Disorder with Hyperactivity01998201716.6low402740
Atypical Cluster Headache02001200222.5low100200
Aura02005201911.2low000390
Auricular Fibrillation02008201512.7low000120
Autism01998202315.8low302941
Autism Spectrum Disorder0201920233.0low000012
Autism-Dementia-Ataxia-Loss of Purposeful Hand Use Syndrome02005200519.0low000100
Autistic Disorder11998202315.8low302941
Autoimmune Diabetes01998202116.7low002531
Autoimmune Thrombocytopenia01998199826.0low001000
Autokinetic Effect02006200618.0low000100
Autonomic Dysfunction, Paraneoplastic02005200519.0low000100
Autosomal Chromosome Disorders0201720177.0low000010
Autosomal Dominant Juvenile Parkinson Disease02001201416.1low300840
Autosomal Dominant Striatonigral Degeneration0202220222.0low000001
Autotomy Human02000202115.8low001111
Bacterial Pneumonia02003200321.0low000100
Basal Ganglia Diseases01996202219.3low5903584201
Basedow Disease0201520159.0low000020
Bed Sores0201820186.0low000010
Bedwetting02007201214.0low000120
Behavior Disorders01997202315.6low270991405
Benign Essential Tremor02003200520.0low100200
Benign Intracranial Hypertension0202320231.0low000001
Benign Neoplasms0199920238.2low1801113613
Benign Neoplasms, Brain02003201513.2low000130
Benign Psychomotor Epilepsy, Childhood02001202115.4low000311
Bernhardt-Roth Syndrome02009200915.0low000100
Besnier-Boeck Disease02010201014.0low000100
Bewilderment02002200222.0low000100
Bilateral Headache01998202311.5low502443
Bilateral Periventricular Nodular Heterotopia0201520159.0low000010
Bile Duct Obstruction02009201214.0low000210
Binge Eating02003202013.6low100320
Binge-Eating Disorder0201920223.5low000011
Bipolar Disorder11997202315.5low14705134617529
Birth Weight02008201911.7low100210
Bites0201620168.0low000010
Blast Injuries02009200915.0low000100
Bleeding02000200024.0low001000
Blepharoptosis02004200420.0low000100
Blepharospasm02000201717.0low001210
Blepharospasm-Oromandibular Dyskinesia02002200918.0low000300
Blood Clot02013201311.0low000010
Blood Coagulation Disorders02008200816.0low000100
Blood Diseases02000201019.0low001100
Blood Pressure, High02007202311.0low100532
Blood Pressure, Low02002202212.9low000623
Body Rocking01997200025.0low104000
Body Weight01999202313.7low79031208714
Body-Weight Trajectory0201920195.0low100010
Bone Diseases, Metabolic0200720239.0low000101
Bone Fractures02012201510.5low000020
Bone Marrow Diseases02003200321.0low000100
Bonnevie-Ullrich Syndrome02009200915.0low000100
Borderline Personality Disorder11999202316.4low13011751
Bowel Incontinence02003200520.0low000200
Bradyarrhythmia01999202316.2low001311
Bradycardia01999202316.2low001311
Brain Concussion02009200915.0low000100
Brain Diseases02004202013.2low000220
Brain Disorders02004202013.2low000220
Brain Edema02007200717.0low000100
Brain Hemorrhage0201720177.0low000010
Brain Hemorrhage, Cerebral02006200618.0low000100
Brain Infarction02008200915.5low000200
Brain Inflammation0201020237.3low000111
Brain Injuries02000201019.1low001600
Brain Injuries, Traumatic0202020204.0low100010
Brain Injury, Chronic02003200321.0low000100
Brain Ischemia02006200916.5low000200
Brain Neoplasms02003201513.2low000130
Brain Swelling02007200717.0low000100
Brain Thrombosis0202120213.0low000001
Brain Vascular Disorders02004201517.1low100610
Branch Vein Occlusion0202120213.0low000001
Breast Cancer0200320236.1low600286
Breast Neoplasms0200320236.1low600286
Breathlessness02001202011.3low000120
Briquet Syndrome02001201018.8low200500
Brown Tendon Sheath Syndrome02006200916.8low000400
Bulimia02003202013.6low100320
Bulimia Nervosa0200720227.8low100131
Bullous Dermatoses02000200621.0low001100
Burning Mouth Syndrome02008200816.0low000100
Burns02004200420.0low000100
Cachexia0200720229.0low100121
Cadaver0202320231.0low000001
Calcification, Pathologic02008201912.0low000210
Calcinosis02008201912.0low000210
Callous-Unemotional Traits02002202210.9low300313
Cancer of Cervix0202020204.0low000010
Cancer of Colon0201820186.0low000010
Cancer of Esophagus0201720177.0low000010
Cancer of Gastrointestinal Tract02010201014.0low100100
Cancer of Lung02003202311.0low400451
Cancer of Mediastinum02005200519.0low000100
Cancer of Ovary0201420198.0low000030
Cancer of Pancreas0201720234.0low000011
Cancer of Pituitary02005201914.0low000410
Cancer of Skin0200920238.0low000101
Cancer of Stomach02007201711.2low000130
Cancer of the Uterus02004200420.0low000100
Cancer Pain0201820186.0low000010
Cancer-Associated Pain0201820186.0low000010
Cancer, Embryonal0201520159.0low000010
Cannabis Abuse02005202112.0low200461
Capgras Syndrome02000201616.1low002440
Carbon Monoxide Poisoning0202120222.5low000002
Carcinoma, Epidermoid02010201014.0low000100
Carcinoma, Large Cell02010201014.0low000100
Carcinoma, Non-Small Cell Lung0201520159.0low100010
Carcinoma, Non-Small-Cell Lung0201520159.0low100010
Carcinoma, Squamous Cell02010201014.0low000100
Cardiac Arrest, Sudden02003201313.9low300250
Cardiac Diseases02002202112.5low100101
Cardiac Failure0200320238.0low000203
Cardiac Toxicity0202020213.5low000011
Cardiometabolic Syndrome02001202311.4low200032367
Cardiomyopathies02005202310.0low000302
Cardiomyopathies, Primary02005202310.0low000302
Cardiotoxicity0202020213.5low000011
Cardiovascular Diseases02001202311.6low4009103
Cardiovascular Stroke02006201116.0low100210
Carditis0200920229.0low000222
Caries, Dental02012201212.0low000010
Carotid Artery Narrowing0201620168.0low000010
Carotid Stenosis0201620168.0low000010
Catatonia02000202312.1low00113114
Catatonic Rigidity02000200820.3low401800
Catatonic Schizophrenia02001201317.0low100320
Central Hypothyroidism0201420169.0low000020
Central Nervous System Cysticercosis02013201311.0low000010
Central Nervous System Cysts0201620168.0low000010
Central Nervous System Disease01998201517.5low001010
Central Nervous System Diseases01998201517.5low001010
Central Nervous System Syphilis02007201912.3low000210
Central Retinal Edema, Cystoid0202120213.0low000001
Cephalgia Syndromes02002200222.0low000100
Cerebellar Ataxia0202020204.0low000010
Cerebral Concussion02009200915.0low000100
Cerebral Hemorrhage02006200618.0low000100
Cerebral Infarction02004201415.2low000220
Cerebral Infarction, Middle Cerebral Artery02006200817.0low000200
Cerebral Ischemia02006200916.5low000200
Cerebral Pseudosclerosis02001200819.0low000300
Cerebrovascular Disorders02004201517.1low100610
Cervical Dystonia02003200321.0low000100
Chemical and Drug Induced Liver Injury02000202211.6low0017152
Chemical and Drug Induced Liver Injury, Chronic0202020204.0low000010
Chemical Dependence01997202314.2low110421145
Chest Injuries02012201212.0low000010
Chest Pain02003202012.5low000110
Child Behavior Disorders01998200423.0low001100
Child Development Deviations01997199727.0low001000
Child Development Disorders, Pervasive01997201021.1low3041100
Childhood Eating and Feeding Disorders0201820186.0low000010
Childhood Schizophrenia02000201916.2low402530
Childhood Tic Disorders02000200620.7low001200
Childhood Torsion Disease0202020204.0low000010
Cholera Infantum02009200915.0low000100
Cholestasis02009201214.0low000210
Chorea01999202115.2low001201
Chorea Disorders01999202115.2low001201
Choriocarcinoma02004200420.0low000100
Chromosome Deletion02008201711.5low000110
Chromosome-Defective Micronuclei0202120213.0low000001
Chronic Disease01997202316.7low390870222
Chronic Fatigue and Immune Dysfunction Syndrome02014201410.0low000010
Chronic Hepatitis B02003200321.0low000100
Chronic Hepatitis C02010201014.0low000100
Chronic Illness01997202316.7low390870222
Chronic Insomnia02000202311.5low8026104
Chronic Kidney Diseases02014201410.0low000010
Chronic Kidney Failure02003200321.0low000100
Chronic Motor and Vocal Tic Disorder01998201920.2low606920
Chronic Pain0201620225.5low000031
Chronic Progressive Multiple Sclerosis02011201113.0low000010
Chylopericardium02011201113.0low000010
Circulatory Collapse01999199925.0low001000
Claustrophobia02002200222.0low100100
Cleft Spine02007200717.0low000100
Clerambault Syndrome02000201118.0low001120
Clinically Isolated CNS Demyelinating Syndrome02014201410.0low000010
Clubfeet0202220222.0low000001
Coagulation Disorders, Blood02008200816.0low000100
Coagulation, Disseminated Intravascular01999199925.0low001000
Cocaine Abuse02002201617.7low6001320
Cocaine-Related Disorders02002201617.7low6001320
Cochlear Hearing Loss02014201410.0low000010
Cognition Disorders01996202117.0low5701076261
Cognitive Decline0201520215.4low200071
Cognitive Dysfunction0201520215.4low200071
Cognitive Manifestations01998199826.0low001000
Cold Fingers, Hereditary02011201113.0low000010
Colicky Pain02001200123.0low100100
Colitis, Ischemic0201220169.3low000030
Colonic Inertia01997201912.8low401140
Colonic Neoplasms0201820186.0low000010
Colorectal Cancer0202120213.0low100001
Colorectal Neoplasms0202120213.0low100001
Coma01998202212.5low001433
Coma, Hyperglycemic Hyperosmolar Nonketotic02001201716.0low000310
Combat Disorders02000201020.2low101300
Communication Disorders02002200222.0low000100
Compensatory Hyperinsulinemia02002201913.8low200650
Complex Partial Epilepsy02001200620.0low000300
Complication, Postoperative02006202010.1low100170
Complications of Diabetes Mellitus02002201419.3low000510
Complications, Pregnancy01998201915.7low0031990
Conduct Disorder02002202210.9low300313
Congenital Dysplasia Of The Hip02006200618.0low000100
Congenital Fissure of the Abdominal Cavity0202320231.0low000002
Congenital Hand Deformities02008200816.0low000100
Congenital Zika Syndrome0202020204.0low000010
Consciousness, Loss of02006201512.2low000130
Constipation01997201912.8low401140
Constitutional Liver Dysfunction02003200321.0low000100
Constricted Pupil01999202211.8low001112
Convergent Strabismus02000200024.0low001000
Convulsions, Grand Mal02010201014.0low000100
Convulsive Generalized Seizure Disorder02006200618.0low000100
Cornea Injuries02011201113.0low000010
Corneal Injuries02011201113.0low000010
Coronary Artery Disease02004201315.2low100220
Coronary Disease02000201416.8low001120
Coronary Heart Disease02000201416.8low001120
Coronavirus Infections0202020204.0low000080
Cortical Lewy Body Disease02001202216.6low100831
Craniocerebral Injuries0201520159.0low000010
Craniocerebral Trauma0201520159.0low000010
Craniofacial Pain Syndromes02007200717.0low000100
Critical Illness02004202112.4low100221
Cystic Fibrosis02005200519.0low000100
Cystic Fibrosis of Pancreas02005200519.0low000100
Day Blindness02005200618.5low100200
Daytime Sleepiness02001201813.5low500670
Daytime Urinary Incontinence02007200717.0low000100
De Morsier Syndrome02008200816.0low000100
Deafness-Retinitis Pigmentosa Syndrome02012201212.0low000010
Deafness, Transitory0201720177.0low000010
Death, Sudden02001201417.2low100320
Death, Sudden, Cardiac02003201313.9low300250
Deep Vein Thrombosis02003201815.5low000420
Deficiency Diseases02007200717.0low000100
Deficiency, Folic Acid02007201015.5low000200
Deficiency, Mental01997202015.6low30411100
Deficiency, Vitamin B 1202007201015.5low000200
Degenerative Diseases, Central Nervous System02007201910.5low000220
Dehydration01998200821.3low001200
Dejerine-Roussy Syndrome02008200816.0low000100
Delayed Effects, Prenatal Exposure0200220239.6low100593
Delirium11999202310.8low601254116
Delirium of Mixed Origin01999202310.8low601254116
Delusional Disorder01997202016.6low402158340
Delusional Parasitosis0201620216.3low000021
Dementia11997202316.4low70664146
Dementia Praecox01995202415.6medium73402631,152676122
Dementia, Vascular02002200819.0low1001100
Dementias, Transmissible02004200420.0low000100
Demyelinating Diseases02014201410.0low000010
Dental Caries02012201212.0low000010
Depression01998202311.9low2704333912
Depression, Endogenous01997201918.9low3202264180
Depression, Involutional01997202314.2low370461474
Depression, Postpartum02002201018.0low100300
Depressive Disorder11997201918.9low3202264180
Depressive Disorder, Major11997202314.2low370461474
Depressive Disorder, Treatment-Resistant12011202110.3low200061
Dermatitis02000200024.0low001000
Dermatitis Medicamentosa01999201218.1low001720
Dermatitis, Allergic Contact02010201014.0low000100
Dermatitis, Occupational02010201014.0low000100
Dermatoses02000200621.0low001200
Developmental Coordination Disorder01998199826.0low001000
Developmental Disabilities11997199727.0low001000
Developmental Psychomotor Disorders02003201318.6low500410
Devic Disease02003200321.0low000100
Diabetes Insipidus02004201116.5low000110
Diabetes Mellitus01999202317.7low4035174
Diabetes Mellitus, Adult-Onset01998202315.4low1203571411
Diabetes Mellitus, Gestational0200720229.8low000211
Diabetes Mellitus, Type 101998202116.7low002531
Diabetes Mellitus, Type 201998202315.4low1203571411
Diabetes, Gestational0200720229.8low000211
Diabetic Coma02004200420.0low000100
Diabetic Ketoacidosis01999202317.5low1032061
Diarrhea02013201311.0low100010
Diathesis01998200522.5low001100
Diffuse Mixed Small and Large Cell Lymphoma01999199925.0low001000
Diffuse Myofascial Pain Syndrome02001201815.2low000320
Direct Hyperbilirubinemia, Neonatal02007200717.0low000100
Disbacteriosis0202320231.0low000001
Disease Exacerbation01999202316.3low8012151
Disease Models, Animal02001202310.7low200314913
Diseases in Twins02001201315.3low000120
Diseases of Endocrine System02003200321.0low000100
Diseases, Metabolic02001202310.1low110012216
Disorder, Borderline Personality01999202316.4low13011751
Disorders of Excessive Somnolence02001201813.5low500670
Disruptive, Impulse Control, and Conduct Disorders02000202214.8low201311
Disseminated Intravascular Coagulation01999199925.0low001000
Dissociation02006200817.0low000200
Dissociative Identity Disorder02008200816.0low000100
Dizziness01997202112.8low702251
Dizzyness01997202112.8low702251
Down Syndrome02001200819.5low000200
DRESS Syndrome0201720234.0low000011
Drooling01998202214.4low101211
Drug Hypersensitivity02000201814.8low001340
Drug Overdose01998202317.1low001332162
Drug Withdrawal Symptoms01997202218.3low60111642
Drug-Induced Stevens Johnson Syndrome02006200618.0low000100
Drug-Related Side Effects and Adverse Reactions0200420239.1low50010287
Dry Eye02005200519.0low000100
Dry Eye Syndromes02005200519.0low000100
Dysarthosis0201420159.5low000020
Dysesthesia02007200916.0low000200
Dysgeusia02004202010.3low100120
Dyskinesia Syndromes02000201516.1low502780
Dyskinesia, Drug-Induced11996201720.5low3004775130
Dyskinesia, Medication-Induced01996201720.5low3004775130
Dyslipidemia02006202310.4low50011143
Dyslipidemias02006202310.4low50011143
Dysmyelopoietic Syndromes02007201811.5low000110
Dyspnea02001202011.3low000120
Dysthymia01999201019.5low101100
Dysthymic Disorder01999201019.5low101100
Dystonia01997202316.2low2081382
Dystonic Disorders01999200921.2low001300
Ectoparasitic Infestations02002201615.6low000520
Edema02003202212.9low000632
Edema, Pulmonary0201520159.0low000010
Electric Injuries02008200816.0low000100
Electrocardiogram QT Prolonged02001202315.3low9001793
Electrolytes02007200717.0low000200
Elevated Cholesterol02003201815.4low400730
Elevated ICP (Intracranial Pressure)02003200321.0low000100
Embolism, Pulmonary02003202315.0low0001231
Emergencies02007201712.8low000220
Emesis0200320236.4low5200119637
Emesis, Postoperative0202020233.0low200021
Emphysema, Mediastinal0201920195.0low000010
Emphysema, Subcutaneous0201920195.0low000010
Encephalitis0201020237.3low000111
Encephalitis Infection0201720177.0low000010
Encephalitis, Inclusion Body, Measles02010201014.0low000100
Encephalitis, JC Polyomavirus02005201016.5low000200
Encephalitis, Limbic0201920195.0low000010
Encephalitis, Viral02010201014.0low000100
Encephalopathy, Toxic02002201216.3low100210
Encephalopathy, Traumatic0202020204.0low100010
Endocarditis0202220222.0low000001
Endocrine System Diseases02003200321.0low000100
Enlarged Liver02003200321.0low000100
Enlarged Spleen02009200915.0low000100
Enteric Fever02004201315.5low000110
Entrapment Neuropathies02009201313.0low000110
Eosinophilia02001202312.4low100361
Eosinophilia, Tropical02001202312.4low100361
Epilepsies, Partial0201720177.0low000010
Epilepsy02005201911.2low000390
Epilepsy, Complex Partial02001200620.0low000300
Epilepsy, Partial, Motor0201620168.0low000010
Epilepsy, Temporal Lobe02001202115.4low000311
Epilepsy, Tonic-Clonic02010201014.0low000100
Erectile Dysfunction02001202316.1low100511
Erythema02008200816.0low000100
Erythema Multiforme02009200915.0low000100
Esophageal Achalasia02008200816.0low000100
Esophageal Hernia0202020204.0low000010
Esophageal Neoplasms0201720177.0low000010
Esophageal Stenosis02007200717.0low000100
Esophageal Stricture02007200717.0low000100
Esophagitis0202120213.0low000001
Esotropia02000200024.0low001000
Essential Polyarteritis02014201410.0low000010
Essential Tremor02003200520.0low100200
Eulenburg Disease02001200123.0low000100
Exanthem0200620238.0low000112
Exanthema0200620238.0low000112
Excessive Periodic Sleep-Related Leg Movements02002200918.5low000200
Experimental Lung Inflammation0201320236.5low000022
Extravascular Hemolysis02009201312.3low000120
Eye Abnormalities02006200618.0low000100
Eye Diseases01999202213.5low001111
Eye Disorders01999202213.5low001111
Eyelid Diseases02002200719.5low000200
Facial Dermatoses02013201311.0low000010
Facial Neoplasms02010201014.0low000100
Facies0201520159.0low000010
Fanconi Anemia0201620168.0low000010
Fasting Hypoglycemia02001201416.4low000320
Fatigue02003201813.3low200330
Fatigue Syndrome, Chronic02014201410.0low000010
Fatty Liver0200320236.3low000142
Fatty Liver, Nonalcoholic0201920232.9low000025
Fecal Incontinence02003200520.0low000200
Feeding and Eating Disorders12002202210.6low000251
Female Genital Neoplasms0201620205.5low400040
Fetal Macrosomia02008200816.0low000100
Fever02000202016.1low102850
Fever of Unknown Origin02005200519.0low000100
Fibromyalgia02001201815.2low000320
Flushing02003200321.0low000100
Focal Clonic Seizures0201620168.0low000010
Folic Acid Deficiency02007201015.5low000200
Folie a Deux02008201711.2low000130
Foot Diseases02003200719.0low000200
Foreign Bodies02014201410.0low000010
Foreign-Body Migration0201920195.0low000010
Fractures, Bone02012201510.5low000020
Frigidity01998201219.6low103430
Galactorrhea01998202317.6low3011111
Gambling12008202212.4low300311
Gambling, Pathologic02008202212.4low300311
Gangliocytoma02013201311.0low000010
Gastric Ulcer0202020204.0low000010
Gastrointestinal Hemorrhage0202020204.0low000010
Gastroschisis0202320231.0low000002
Genetic Predisposition01999202314.1low1011381
Genital Diseases, Male02013201311.0low000010
Genital Neoplasms, Female1201620205.5low400040
Germinoblastoma0202220222.0low000001
Giant Cell Arteritis02013201311.0low000010
Glaucoma, Angle Closure0201520224.7low000012
Glaucoma, Angle-Closure0201520224.7low000012
Glial Cell Tumors0201420226.5low000031
Glioblastoma0201120228.0low000021
Glioma0201420226.5low000031
Glossalgia02004200420.0low000100
Glucose Intolerance02002202012.3low300690
Glucose Metabolic Disorder02005201912.0low000240
Glycine Encephalopathy02003200321.0low000100
Goiter, Nodular02014201410.0low000010
Granulomatosis with Polyangiitis02014201410.0low000010
Granulomatosis, Wegener's02014201410.0low000010
Graves Disease0201520159.0low000020
Group A Strep Infection02010201014.0low000100
Gynecomastia02005200718.2low100600
Habit Chorea02002201217.0low100420
Hair Diseases02002200222.0low000100
Hallervorden-Spatz Disease02003200321.0low000100
Hallucination of Body Sensation01998202216.0low1101032242
Hallucinations01998202216.0low1101032242
Hand Dermatoses02004201813.0low000110
Hand Dermatosis02004201813.0low000110
Hangman Fracture02011201113.0low000010
Headache01998202311.5low502443
Headache Disorders02002200222.0low000100
Hearing Loss0201720177.0low000010
Hearing Loss, Sensorineural02014201410.0low000010
Heart Arrest02007202211.5low000211
Heart Defects, Congenital0200720236.3low000102
Heart Diseases02002202112.5low100101
Heart Failure0200320238.0low000203
Heat Stroke0201520205.7low000030
Heatstroke0201520205.7low000030
Hebephrenic Schizophrenia02001200818.5low000400
Hematemesis0202120213.0low000001
Hematochezia0202020204.0low000010
Hematologic Diseases02000201019.0low001100
Hematologic Malignancies0201820214.5low200011
Hematologic Neoplasms1201820214.5low200011
Hemiplegia02000200024.0low001000
Hemiplegia, Crossed02000200024.0low001000
Hemisensory Neglect02000201817.0low001110
Hemolysis02009201312.3low000120
Hemorrhage02000200024.0low001000
Hepatic Failure0202120213.0low000001
Hepatitis0202220222.0low000001
Hepatitis B, Chronic02003200321.0low000100
Hepatitis C02006200618.0low000100
Hepatitis C, Chronic02010201014.0low000100
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted02006200618.0low000100
Hepatolenticular Degeneration02001200819.0low000300
Heroin Abuse02006201315.0low300210
Heroin Dependence02006201315.0low300210
Hiccough0200620229.2low000121
Hirschsprung Disease0201520159.0low000010
HIV Coinfection01998201617.0low001010
HIV Infections01998201617.0low001010
Hospital-Acquired Condition02002201118.3low000210
Huntington Disease11999201917.8low2031260
Hydrophobia02014201410.0low000010
Hyperactivity, Motor02001202111.6low100351
Hyperammonemia0201320179.0low000030
Hypercalcemia0201620168.0low000010
Hypercapnia02007200717.0low100100
Hypercholesterolemia02003201815.4low400730
Hypercoagulability02005200817.5low000200
Hyperemesis Gravidarum0202220222.0low000001
Hyperglycemia01998202216.5low80445172
Hyperglycemia, Postprandial01998202216.5low80445172
Hyperhidrosis02003200321.0low000100
Hyperidrosis02003200321.0low000100
Hyperinsulinism02002201913.8low200650
Hyperkyphosis02008200816.0low000100
Hyperlipemia02001201917.0low2002060
Hyperlipidemias02001201917.0low2002060
Hypermelanosis02004201811.7low000120
Hyperphagia02003202311.3low0009113
Hyperpigmentation02004201811.7low000120
Hyperprolactinaemia01997202314.9low110431123
Hyperprolactinemia01997202314.9low110431123
Hypersensitivity02005200519.0low000100
Hypertension02007202311.0low100532
Hypertension, Pulmonary0201920195.0low000010
Hypertriglyceridemia01999202317.5low2021431
Hypertrophy02006200618.0low000100
Hyperventilation02002202112.5low000101
Hypesthesia0201720177.0low200020
Hypochondriacal Neuroses02000201418.8low001410
Hypoglycemia02001201416.4low000320
Hypokalemia02014201410.0low000010
Hypomania0202020232.1low2000212
Hypomenorrhea02002200720.3low100300
Hyponatremia01997201913.2low001250
Hypotension02002202212.9low000623
Hypotension, Orthostatic01997201620.8low203110
Hypotension, Postural01997201620.8low203110
Hypothermia01998202216.4low004451
Hypothermia, Accidental01998202216.4low004451
Hypothyroidism0201420169.0low000020
Hypoxia02012201212.0low000010
Idiopathic Parkinson Disease01996201821.0low60131840
Impaired Glucose Tolerance02002202012.3low300690
Impotence02001202316.1low100511
Inappropriate ADH Syndrome02007201015.5low000200
Incipient Schizophrenia02000200719.5low201500
Infant, Small for Gestational Age02007200717.0low000100
Infarction, Middle Cerebral Artery02006200817.0low000200
Infections, Coronavirus0202020204.0low000080
Infections, Plasmodium02011201113.0low000010
Infections, Respiratory0202120213.0low000001
Infective Endocarditis0202220222.0low000001
Inflammation0201020245.6low1002156
Injuries02012201610.0low100020
Innate Inflammatory Response0201020245.6low1002156
Insulin Resistance02002202311.6low3200485210
Insulin Sensitivity02002202311.6low3200485210
Insulinoma0202020204.0low000010
Intellectual Disability11997202015.6low30411100
Interstitial Nephritis02013201311.0low000010
Intestinal Obstruction02012201212.0low000010
Intracranial Aneurysm02011201113.0low000010
Intracranial Hemorrhages0201720177.0low000010
Intracranial Hypertension02003200321.0low000100
Intraocular Pressure0202120213.0low000001
Ischemia02013201311.0low000010
Ischemic Attack, Transient02005202314.5low000301
Itching02001201716.2low000320
Kahler Disease0201720224.5low000011
Kidney Diseases02010201014.0low000100
Kidney Failure0201620215.3low100021
Kidney Failure, Chronic02003200321.0low000100
Klinefelter Syndrome02002200222.0low000100
Labhart-Willi Syndrome01998199826.0low001000
Laryngeal Diseases0201620168.0low000010
Lassitude02003201813.3low200330
Late Onset Diseases0201720177.0low100010
Leanness02008201313.5low100110
Learning Disabilities02008200816.0low000100
Lethargy02013201311.0low000010
Leukemia, Promyelocytic, Acute02011201113.0low000010
Leukocytopenia01999202118.7low004511
Leukoencephalopathy, Progressive Multifocal02005201016.5low000200
Leukopenia01999202118.7low004511
Lewy Body Disease02001202216.6low100831
Libman-Sacks Disease02012201311.5low000020
Licheniform Eruptions02008200816.0low000100
Lipid Metabolism Disorders02010201710.5low100110
Liver Diseases0200720218.6low100221
Liver Dysfunction0200720218.6low100221
Liver Failure0202120213.0low000001
Liver Failure, Acute0201620168.0low000010
Liver Steatosis0200320236.3low000142
Local Neoplasm Recurrence0201520159.0low000010
Long QT Syndrome02001202315.3low9001793
Long Sleeper Syndrome01998201618.4low9031230
Low Bone Density0200720239.0low000101
Lung Neoplasms02003202311.0low400451
Lupus Erythematosus, Chronic Cutaneous02010201014.0low000100
Lupus Erythematosus, Cutaneous02009200915.0low000100
Lupus Erythematosus, Cutaneous, Subacute02009200915.0low000100
Lupus Erythematosus, Discoid02010201014.0low000100
Lupus Erythematosus, Systemic02012201311.5low000020
Lymphoma0202220222.0low000001
Lymphoma, Non-Hodgkin01999199925.0low001000
Machado-Joseph Disease0202220222.0low000001
Macular Edema0202120213.0low000001
Malaria02011201113.0low000010
Malaria, Falciparum0201420207.0low000020
Malassezia furfur Infection02003200321.0low000100
Malignant Melanoma02009200915.0low000100
Marijuana Abuse02005202112.0low200461
Mediastinal Neoplasms02005200519.0low000100
Medically Unexplained Symptoms0202220222.0low000001
Melanoma02009200915.0low000100
Melena0202020204.0low000010
Memory Disorders02004202313.7low6001281
Menopause0202320231.0low000001
Mental Disorders01997202315.6low270991405
Metabolic Diseases02001202310.1low110012216
Metabolic Syndrome02001202311.4low200032367
Metaplasia02012201212.0low000010
Microcephaly0201520159.0low000010
Microglossia02002201615.0low000110
Migraine Disorders02002202311.0low000211
Milk-Alkali Syndrome0201620168.0low000010
Miosis01999202211.8low001112
Mood Disorders11998201917.1low3031890
Morbid Obesity02004200420.0low000100
Morning Sickness0202320231.0low100001
Motion Sickness0202320231.0low100001
Mouth Diseases02000201715.5low101010
Mouth Ulcer02006201613.0low000110
Movement Disorders02000201516.1low502780
MS (Multiple Sclerosis)02003202213.8low000301
Mucopolysaccharidosis III02009200915.0low000100
Multiple Myeloma0201720224.5low000011
Multiple Sclerosis02003202213.8low000301
Multiple Sclerosis, Chronic Progressive02011201113.0low000010
Multiple Sclerosis, Relapsing-Remitting0202020204.0low000010
Multiple System Atrophy02002200222.0low000100
Multiple System Atrophy Syndrome02002200222.0low000100
Mumps0201520159.0low000010
Muscle Contraction02001202116.3low000201
Muscle Disorders02006200817.0low000200
Muscle Rigidity02000200820.3low401800
Muscle Spasm0201920195.0low000010
Muscular Atrophy, Spinal0201620168.0low000010
Muscular Diseases02006200817.0low000200
Myasthenia Gravis0201720177.0low000010
Myelodysplastic Syndromes02007201811.5low000110
Myocardial Infarction02006201116.0low100210
Myocarditis0200920229.0low000222
Myoclonic Jerk02000201218.0low001110
Myopia0201920195.0low000010
Myotonic Disorders02001200123.0low000100
Myxedema0201620168.0low000010
Narcotic Bowel Syndrome0202120213.0low000001
Nausea1200220236.8low5300169938
Nearsightedness0201920195.0low000010
Necrosis02000201317.5low001010
Neonatal Abstinence Syndrome02007200717.0low000100
Neoplasms1199920238.2low1801113613
Neoplasms, Germ Cell and Embryonal0201520159.0low000010
Neoplasms, Sweat Gland02012201212.0low000010
Nephritis, Interstitial02013201311.0low000010
Nerve Degeneration02001200620.5low000200
Nerve Pain02012201212.0low000010
Nervous System Diseases02003201417.8low000410
Nervous System Disorders02003201417.8low000410
Neural Tube Defects02001200123.0low000100
Neuralgia02012201212.0low000010
Neuralgia, Sciatic02012201212.0low000010
Neurally Mediated Faint02009200915.0low000100
Neurobehavioral Manifestations01998199826.0low001000
Neuroblastoma01997200821.0low001200
Neurocysticercosis02013201311.0low000010
Neurodegenerative Diseases02007201910.5low000220
Neuroleptic Malignant Syndrome01996202317.1low002145263
Neuromyelitis Optica02003200321.0low000100
Neuronal Ceroid-Lipofuscinoses02001200123.0low100100
Neutropenia01999201718.4low0051040
Nicotine Addiction02006200618.0low000100
Nocturnal Enuresis02007201214.0low000120
Nocturnal Wandering02001202113.7low000321
Nodular Goiter02014201410.0low000010
Non-alcoholic Fatty Liver Disease0201920232.9low000025
Obesity01999202314.5low52071064514
Obesity, Morbid02004200420.0low000100
Obsessive-Compulsive Disorder01996202118.8low1901739111
Onycholysis02008200816.0low000100
Opioid-Related Disorders1200920227.2low100132
Oral Ulcer02006201613.0low000110
Osteoporosis02003200619.5low000200
Ovarian Neoplasms0201420198.0low000030
Overweight02005202112.1low100011101
Pain02002202015.7low2001040
Pain, Chronic0201620225.5low000031
Pain, Intractable02002200520.5low000200
Palmoplantaris Pustulosis02000200919.5low001100
Palsy02013201311.0low000010
Pancreatic Neoplasms0201720234.0low000011
Pancreatitis02000201617.4low002820
Pancytopenia02001201715.0low000310
Panic Attacks01999200621.1low203500
Panic Disorder01999200621.1low203500
Pantothenate Kinase-Associated Neurodegeneration02003200321.0low000100
Paralysis02013201311.0low000010
Paranoia01997202015.2low004360
Parasite Infections02006201714.0low000320
Parasitic Skin Diseases02008201811.0low000110
Parkinson Disease01996201821.0low60131840
Parkinson Disease, Secondary01997202017.3low107270
Parkinsonian Disorders02001201416.1low300840
Perceptual Disorders02000201817.0low001110
Pericardial Effusion02011201113.0low000010
Pericarditis02009200915.0low000200
Pericementitis0202320231.0low000001
Periodontitis0202320231.0low000001
Peripheral Nerve Diseases02005200817.5low000200
Peripheral Nerve Neoplasms02013201311.0low000010
Peripheral Nervous System Diseases02005200817.5low000200
Peripheral Nervous System Neoplasms02013201311.0low000010
Peritonitis02012201212.0low000010
Pernicious Vomiting of Pregnancy0202220222.0low000001
Personality Disorder, Schizoid02001201018.5low000200
Pervasive Child Development Disorders01997201021.1low3041100
Pharyngitis02007202010.5low000110
Phobic Disorders02002200222.0low100100
Pituitary ACTH Hypersecretion0201720177.0low000010
Pituitary Neoplasms02005201914.0low000410
Plasmodium falciparum Malaria0201420207.0low000020
Pleural Effusion0201120189.5low000020
Pleuropericarditis02009200915.0low000200
Pneumonia0201320236.5low000022
Pneumonia, Aspiration0202120213.0low000001
Pneumonia, Bacterial02003200321.0low000100
Pneumonia, Viral0201320204.8low000090
Poisoning02004201813.8low000550
Polydipsia0202120213.0low000001
Polydipsia, Primary02013201510.0low000020
Polyuria02004202114.3low100201
Porphyria Cutanea Tarda0201920195.0low000010
Porphyria, Acute Intermittent02003200321.0low000100
Post-Natal Depression02002201018.0low100300
Postoperative Complications02006202010.1low100170
Postoperative Nausea and Vomiting1202020233.0low200021
Postpartum Amenorrhea01998201120.1low102410
Prader-Willi Syndrome01998199826.0low001000
Precordial Catch02003202012.5low000110
Prediabetes0200420238.9low700363
Prediabetic State0200420238.9low700363
Pregnancy01998202312.6low307302613
Pressure Ulcer0201820186.0low000010
Priapism01998201917.6low103850
Primary Peritonitis02012201212.0low000010
Prostatic Hyperplasia02007200717.0low000100
Prurigo02006201613.0low000110
Pruritus02001201716.2low000320
Pseudotumor Cerebri0202320231.0low000001
Psoriasis02000200919.5low001100
Psychomotor Agitation11999202314.1low380365429
Psychophysiologic Disorders02000200919.5low001100
Psychoses01996202315.7low23309837821837
Psychoses, Drug01998202017.3low501115150
Psychotic Disorders11996202315.7low23309837821837
Ptosis, Eyelid02004200420.0low000100
Puerperal Disorders02004202012.6low100320
Pulmonary Arterial Remodeling0201920195.0low000010
Pulmonary Edema0201520159.0low000010
Pulmonary Embolism02003202315.0low0001231
Pulmonary Hypertension0201920195.0low000010
Purpura, Thrombocytopenic, Idiopathic01998199826.0low001000
Pyrexia02000202016.1low102850
Raynaud Disease02011201113.0low000010
Recrudescence01996202316.1low1701438312
Reflex, Abnormal0201520159.0low000010
Refractory Depression02011202110.3low200061
Remission, Spontaneous02000201017.0low001300
Renal Insufficiency0201620215.3low100021
Renal Insufficiency, Chronic02014201410.0low000010
Respiratory Distress Syndrome0201020209.0low000110
Respiratory Insufficiency02001202215.0low000511
Respiratory Tract Infections0202120213.0low000001
Restless Leg Syndrome01999201415.4low001540
Restless Legs Syndrome01999201415.4low001540
Retinal Diseases02013201311.0low000010
Retinal Vein Occlusion0202120213.0low000001
Rett Syndrome02005200519.0low000100
Rhabdomyolysis01999202312.6low002926
Salivary Gland Diseases01999199925.0low001000
Sarcoidosis02010201014.0low000100
Schizophrenia11995202415.6medium73402631,152676122
Schizotypal Personality Disorder02000200719.5low201500
Sciatica02012201212.0low000010
Scleroderma, Systemic02008200816.0low000100
Sclerosis, Systemic02008200816.0low000100
Seizures01996202117.8low0051551
Sensitivity and Specificity01996202016.4low90222130
Serotonin Syndrome02002201815.8low000740
Sex Disorders02004202315.5low5001631
Sexual Dysfunction, Physiological02004202315.5low5001631
Sexual Dysfunctions, Psychological01998201219.6low103430
Shock01999199925.0low001000
Shock, Cardiogenic0202220222.0low000001
Sialorrhea01998202214.4low101211
Sicca Syndrome02014201410.0low000010
Sjogren's Syndrome02014201410.0low000010
Skin Diseases02000200621.0low001200
Skin Neoplasms0200920238.0low000101
Skin Ulcer02000201317.5low001010
Sleep Initiation and Maintenance Disorders02000202311.5low8026104
Sleep Wake Disorders01998201618.4low9031230
Sleepiness0201820233.8low200022
Smoking Cessation02001202213.6low100521
Somatoform Disorders02001201018.8low200500
Sore Throat02007202010.5low000110
Spasm0201920195.0low000010
Spinal Curvatures0201620168.0low000010
Spinal Fractures02011201113.0low000010
ST Elevated Myocardial Infarction0202220222.0low000001
ST Elevation Myocardial Infarction0202220222.0low000001
Stammering01999200918.5low001500
Status Epilepticus02009201711.0low000110
Stevens-Johnson Syndrome02006200618.0low000100
Stomach Neoplasms02007201711.2low000130
Stomach Ulcer0202020204.0low000010
Streptococcal Infections02010201014.0low000100
Stress Disorders, Post-Traumatic02001202016.1low4001340
Stress Disorders, Traumatic, Acute0202020232.5low000011
Stroke02004201617.3low0001630
Stuttering01999200918.5low001500
Substance Withdrawal Syndrome01997202218.3low60111642
Substance-Related Disorders01997202314.2low110421145
Suicidal Ideation02011201411.5low000040
Symptom Cluster01998202314.8low00514151
Syndrome01998202314.8low00514151
Tachyarrhythmia02008201313.3low000120
Tachycardia02008201313.3low000120
Tachycardia, Ventricular0202220222.0low000001
Tardive Dyskinesia0201720234.0low000011
Tardive Dystonia0201720234.0low000011
Teratogenesis0201520159.0low000010
Thoracic Neoplasms0201720215.0low300021
Thrombocythemia02004200420.0low000100
Thrombocytopenia01998201717.6low001220
Thromboembolism02003200818.5low000400
Thromboembolism, Venous02008201314.2low000310
Thrombopenia01998201717.6low001220
Thrombophilia02005200817.5low000200
Thrombosis02013201311.0low000010
Thyroid Diseases02003201614.5low000110
Tics02002201217.0low100420
Tinea Versicolor02003200321.0low000100
Tobacco Use Disorder02006200618.0low000100
Tongue, Hairy02006200618.0low000100
Torsade de Pointes02001201416.0low100440
Torticollis02003200321.0low000100
Tourette Syndrome01998201920.2low606920
Tremor01997201219.8low204510
Trichotillomania01998202016.1low202440
Tuberous Sclerosis0201620168.0low000010
Turner Syndrome02009200915.0low000100
Typhoid Fever02004201315.5low000110
Urinary Incontinence02000201019.0low001200
Urinary Retention02006201912.5low000220
Urinary Tract Diseases0202120213.0low000001
Uterine Cervical Neoplasms0202020204.0low000010
Uterine Neoplasms02004200420.0low000100
Venous Thromboembolism02008201314.2low000310
Venous Thrombosis02003201815.5low000420
Ventricular Dysfunction0201920195.0low000010
Ventricular Fibrillation02013201311.0low000010
Vision, Diminished0201520159.0low000010
Vitamin B 12 Deficiency02007201015.5low000200
Vomiting1200320236.4low5200119637
Vulvar Diseases02004200420.0low000100
Water Intoxication01999201419.2low101410
Weight Gain11996202314.2low17202530817843
Weight Loss12001202315.2low150024121
Weight Reduction02001202315.2low150024121
Wolff-Parkinson-White Syndrome02004200420.0low000100
Wounds and Injuries02012201610.0low100020
Wounds, Stab02012201212.0low000010
Xanthoma02003200321.0low000100
Xerostomia01998201220.4low402210
Zika Virus Infection0202020204.0low000010

Safety/Toxicity (227)

ArticleYear
Risk evaluation of diabetic ketoacidosis associated with antipsychotics among patients with schizophrenia in the Japanese adverse event report database.
Journal of psychosomatic research, , Volume: 175
2023
Comparative efficacy and safety of 4 atypical antipsychotics augmentation treatment for major depressive disorder in adults: A systematic review and network meta-analysis.
Medicine, , Sep-22, Volume: 102, Issue:38
2023
Comparative Safety Analysis of Oral Antipsychotics for In-Hospital Adverse Clinical Events in Older Adults After Major Surgery : A Nationwide Cohort Study.
Annals of internal medicine, , Volume: 176, Issue:9
2023
Efficacy and Safety of Aripiprazole in Borderline Personality Disorder: A Systematic Review.
The Psychiatric quarterly, , Volume: 94, Issue:4
2023
Efficacy and Safety of Olanzapine for the Prevention of Chemotherapy-induced Nausea and Vomiting in Children: A Systematic Review and Meta-analysis of Randomized Controlled Trials.
Journal of pediatric hematology/oncology, , 10-01, Volume: 45, Issue:7
2023
Toxicity manifestations and sex differences due to MARTA olanzapine.
The Journal of toxicological sciences, , Volume: 48, Issue:4
2023
Efficacy and safety of antiemetic regimens for highly emetogenic chemotherapy-induced nausea and vomiting: A systematic review and network meta-analysis.
Cancer treatment reviews, , Volume: 115
2023
Predicting serotonin toxicity in serotonin reuptake inhibitor overdose.
Clinical toxicology (Philadelphia, Pa.), , Volume: 61, Issue:1
2023
Depicting Risperidone Safety Profiles in Clinical Trials Across Different Diagnoses Using a Dopamine D
Clinical drug investigation, , Volume: 42, Issue:12
2022
Antipsychotic Safety in Liver Disease: A Narrative Review and Practical Guide for the Clinician.
Journal of the Academy of Consultation-Liaison Psychiatry, , Volume: 64, Issue:1
Efficacy and safety of Lu AF35700 in treatment-resistant schizophrenia: A randomized, active-controlled trial with open-label extension.
Schizophrenia research, , Volume: 248
2022
Efficacy and safety of antipsychotics and antidepressants in the treatment of anorexia nervosa: a systematic review.
Revista Colombiana de psiquiatria (English ed.), , Volume: 51, Issue:3
Meta-Analysis of the Efficacy and Safety of Olanzapine versus Clozapine when Treating Senile Dementia.
Computational and mathematical methods in medicine, , Volume: 2022
2022
Characteristics of adverse reactions among antipsychotic drugs using the Korean Adverse Event Reporting System database from 2010 to 2019.
Journal of psychopharmacology (Oxford, England), , Volume: 36, Issue:9
2022
Impulse Control Disorders by Dopamine Partial Agonists: A Pharmacovigilance-Pharmacodynamic Assessment Through the FDA Adverse Event Reporting System.
The international journal of neuropsychopharmacology, , 09-28, Volume: 25, Issue:9
2022
Efficacy and safety/tolerability of antipsychotics in the treatment of adult patients with major depressive disorder: a systematic review and meta-analysis.
Psychological medicine, , Volume: 53, Issue:9
2023
Comparative effectiveness and safety of antipsychotic drugs in patients with schizophrenia initiating or reinitiating treatment: A Real-World Observational Study.
Acta psychiatrica Scandinavica, , Volume: 145, Issue:5
2022
Efficacy and Safety of Olanzapine in Children Receiving Highly Emetogenic Chemotherapy: A Randomized, Double-blind Placebo-controlled Phase 3 Trial.
Journal of pediatric hematology/oncology, , 11-01, Volume: 44, Issue:8
2022
Atypical Antipsychotic Safety in the CICU.
The American journal of cardiology, , 01-15, Volume: 163
2022
Molecular Consequences of Depression Treatment: A Potential In Vitro Mechanism for Antidepressants-Induced Reprotoxic Side Effects.
International journal of molecular sciences, , Nov-01, Volume: 22, Issue:21
2021
Comparative Efficacy, Safety, Tolerability, and Effectiveness of Antipsychotics in The Treatment of Dementia-Related Psychosis (DRP): A Systematic Literature Review.
The journal of prevention of Alzheimer's disease, , Volume: 8, Issue:4
2021
Metabolic adverse effects of off-label use of second-generation antipsychotics in the adult population: a systematic review and meta-analysis.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 47, Issue:3
2022
The Influence of Substance Use on Side Effects of Olanzapine, Quetiapine, Risperidone, and Ziprasidone in Psychosis.
Substance use & misuse, , Volume: 56, Issue:12
2021
Efficacy and safety of 5 mg olanzapine for nausea and vomiting management in cancer patients receiving carboplatin: integrated study of three prospective multicenter phase II trials.
BMC cancer, , Jul-19, Volume: 21, Issue:1
2021
The Use of Physostigmine in the Diagnosis and Treatment of Anticholinergic Toxicity After Olanzapine Overdose: Literature Review and Case Report.
Journal of the Academy of Consultation-Liaison Psychiatry, , Volume: 62, Issue:3
Second-generation antipsychotics induce cardiotoxicity by disrupting spliceosome signaling: Implications from proteomic and transcriptomic analyses.
Pharmacological research, , Volume: 170
2021
A phase 3, multicenter study to assess the 1-year safety and tolerability of a combination of olanzapine and samidorphan in patients with schizophrenia: Results from the ENLIGHTEN-2 long-term extension.
Schizophrenia research, , Volume: 232
2021
A safety signal of somnambulism with the use of antipsychotics and lithium: A pharmacovigilance disproportionality analysis.
British journal of clinical pharmacology, , Volume: 87, Issue:10
2021
Olanzapine induced reproductive toxicity in male rats.
Scientific reports, , 02-26, Volume: 11, Issue:1
2021
Safety of Intravenous Olanzapine Administration at a Tertiary Academic Medical Center.
The Annals of pharmacotherapy, , Volume: 55, Issue:9
2021
A Retrospective Comparison of the Effectiveness and Safety of Intravenous Olanzapine Versus Intravenous Haloperidol for Agitation in Adult Intensive Care Unit Patients.
Journal of intensive care medicine, , Volume: 37, Issue:2
2022
Impact of polymorphisms in transporter and metabolizing enzyme genes on olanzapine pharmacokinetics and safety in healthy volunteers.
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, , Volume: 133
2021
The side effect profile of Clozapine in real world data of three large mental health hospitals.
PloS one, , Volume: 15, Issue:12
2020
Exploring a Safety Signal of Antipsychotic-Associated Pneumonia: A Pharmacovigilance-Pharmacodynamic Study.
Schizophrenia bulletin, , 04-29, Volume: 47, Issue:3
2021
Safety and effectiveness of olanzapine and droperidol for chemical restraint for non-consenting adults: a systematic review and meta-analysis.
Australasian emergency care, , Volume: 24, Issue:2
2021
Safety and cardiovascular effects of multiple-dose administration of aripiprazole and olanzapine in a randomised clinical trial.
Human psychopharmacology, , Volume: 36, Issue:1
2021
The SNAP 101 Double-Blind, Placebo/Active-Controlled, Safety, Pharmacokinetic, and Pharmacodynamic Study of INP105 (Nasal Olanzapine) in Healthy Adults.
The Journal of clinical psychiatry, , 06-30, Volume: 81, Issue:4
2020
Poloxamer-407-Co-Poly (2-Acrylamido-2-Methylpropane Sulfonic Acid) Cross-linked Nanogels for Solubility Enhancement of Olanzapine: Synthesis, Characterization, and Toxicity Evaluation.
AAPS PharmSciTech, , May-17, Volume: 21, Issue:5
2020
Long-term safety and durability of effect with a combination of olanzapine and samidorphan in patients with schizophrenia: results from a 1-year open-label extension study.
CNS spectrums, , Volume: 26, Issue:4
2021
Efficacy and Safety of a Combination of Olanzapine and Samidorphan in Adult Patients With an Acute Exacerbation of Schizophrenia: Outcomes From the Randomized, Phase 3 ENLIGHTEN-1 Study.
The Journal of clinical psychiatry, , 03-03, Volume: 81, Issue:2
2020
Neuroprotective effects of olanzapine against rotenone-induced toxicity in PC12 cells.
Acta pharmacologica Sinica, , Volume: 41, Issue:4
2020
Olanzapine-mediated cardiotoxicity is associated with altered energy metabolism in isolated rat hearts.
Acta biochimica Polonica, , Jan-30, Volume: 67, Issue:1
2020
Efficacy and safety of 5 mg olanzapine combined with aprepitant, granisetron and dexamethasone to prevent carboplatin-induced nausea and vomiting in patients with gynecologic cancer: A multi-institution phase II study.
Gynecologic oncology, , Volume: 156, Issue:3
2020
In the aftermath of clozapine discontinuation: comparative effectiveness and safety of antipsychotics in patients with schizophrenia who discontinue clozapine.
The British journal of psychiatry : the journal of mental science, , Volume: 217, Issue:3
2020
The efficacy and safety of the addition of olanzapine to ondansetron and dexamethasone for prevention of chemotherapy-induced nausea and vomiting in patients receiving highly emetogenic chemotherapy.
International journal of clinical oncology, , Volume: 25, Issue:2
2020
Do Asian and North American patients with bipolar disorder have similar efficacy, tolerability, and safety profile during clinical trials with atypical antipsychotics?
Journal of affective disorders, , 01-15, Volume: 261
2020
Efficacy and safety of electroacupuncture on metabolic syndrome due to olanzapine and risperidone: Study protocol for a randomized controlled pilot trial.
Medicine, , Volume: 98, Issue:38
2019
Radioprotective effect of olanzapine as an anti-psychotic drug against genotoxicity and apoptosis induced by ionizing radiation on human lymphocytes.
Molecular biology reports, , Volume: 46, Issue:6
2019
Efficacy and Safety of Asenapine Versus Olanzapine in Combination With Divalproex for Acute Mania: A Randomized Controlled Trial.
Journal of clinical psychopharmacology, , Volume: 39, Issue:4
Switch-associated adverse events: focus on olanzapine.
Australasian psychiatry : bulletin of Royal Australian and New Zealand College of Psychiatrists, , Volume: 26, Issue:6
2018
Pharmacokinetics and Short-term Safety of ALKS 3831, a Fixed-dose Combination of Olanzapine and Samidorphan, in Adult Subjects with Schizophrenia.
Clinical therapeutics, , Volume: 40, Issue:11
2018
Comparative efficacy and safety between amisulpride and olanzapine in schizophrenia treatment and a cost analysis in China: a systematic review, meta-analysis, and cost-minimization analysis.
BMC psychiatry, , 09-05, Volume: 18, Issue:1
2018
Analysis of Toxicity Effects of Buspirone, Cetirizine and Olanzapine on Human Blood Lymphocytes: in Vitro Model.
Current clinical pharmacology, , Volume: 13, Issue:2
2018
Obesity exacerbates the acute metabolic side effects of olanzapine.
Psychoneuroendocrinology, , Volume: 88
2018
The metabolic side effects of 12 antipsychotic drugs used for the treatment of schizophrenia on glucose: a network meta-analysis.
BMC psychiatry, , 11-21, Volume: 17, Issue:1
2017
The Use, Safety, and Efficacy of Olanzapine in a Level I Pediatric Trauma Center Emergency Department Over a 10-Year Period.
Pediatric emergency care, , Volume: 36, Issue:2
2020
Second-Generation Antipsychotics and Metabolic Side Effects: A Systematic Review of Population-Based Studies.
Drug safety, , Volume: 40, Issue:9
2017
Do not treat the numbers: lithium toxicity.
BMJ case reports, , Jun-02, Volume: 2017
2017
Metabolic adverse effects of olanzapine on cognitive dysfunction: A possible relationship between BDNF and TNF-alpha.
Psychoneuroendocrinology, , Volume: 81
2017
Design and in vivo evaluation of solid lipid nanoparticulate systems of Olanzapine for acute phase schizophrenia treatment: Investigations on antipsychotic potential and adverse effects.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, , Jun-15, Volume: 104
2017
Management of Hepatotoxicity Induced by the Use of Olanzapine.
Journal of child and adolescent psychopharmacology, , Volume: 27, Issue:3
2017
Metabolic side effects induced by olanzapine treatment are neutralized by CB1 receptor antagonist compounds co-administration in female rats.
European neuropsychopharmacology : the journal of the European College of Neuropsychopharmacology, , Volume: 27, Issue:7
2017
Efficacy and safety of olanzapine for the prevention of chemotherapy-induced nausea and vomiting: A systematic review and meta-analysis.
Critical reviews in oncology/hematology, , Volume: 112
2017
Testing of bioactive-nanovesicles on hepatotoxicity of atypical antipsychotics via digital holography.
Colloids and surfaces. B, Biointerfaces, , Apr-01, Volume: 152
2017
A randomized, double-blind, comparison of the efficacy and safety of low-dose olanzapine plus low-dose trifluoperazine versus full-dose olanzapine in the acute treatment of schizophrenia.
Schizophrenia research, , Volume: 185
2017
The Effect of Safety Warnings on Antipsychotic Drug Prescribing in Elderly Persons with Dementia in the United Kingdom and Italy: A Population-Based Study.
CNS drugs, , Volume: 30, Issue:11
2016
A Case Report: Anti-Psychotic Agents Related Ocular Toxicity.
Medicine, , Volume: 95, Issue:15
2016
Second-Generation Antipsychotics During the Lactation Period: A Comparative Systematic Review on Infant Safety.
Journal of clinical psychopharmacology, , Volume: 36, Issue:3
2016
Olanzapine pamoate for the treatment of schizophrenia--a safety evaluation.
Expert opinion on drug safety, , Volume: 15, Issue:3
2016
Brain stem as a target site for the metabolic side effects of olanzapine.
Journal of neurophysiology, , Volume: 115, Issue:3
2016
Baseline characteristics and hospitalizations in patients with schizophrenia receiving olanzapine long-acting injection: an interim analysis from a non-interventional, prospective observational safety study.
BMC psychiatry, , Nov-13, Volume: 15
2015
Efficacy and safety of olanzapine for the prophylaxis of chemotherapy-induced nausea and vomiting (CINV) as reported in phase I and II studies: a systematic review.
Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer, , Volume: 24, Issue:2
2016
Neurological Adverse Effects of Antipsychotics in Children and Adolescents.
Journal of clinical psychopharmacology, , Volume: 35, Issue:6
2015
Involvement of oxidative stress and mitochondrial/lysosomal cross-talk in olanzapine cytotoxicity in freshly isolated rat hepatocytes.
Xenobiotica; the fate of foreign compounds in biological systems, , Volume: 46, Issue:4
2016
Neuromotor Adverse Effects in 342 Youth During 12 Weeks of Naturalistic Treatment With 5 Second-Generation Antipsychotics.
Journal of the American Academy of Child and Adolescent Psychiatry, , Volume: 54, Issue:9
2015
Efficacy and safety of olanzapine combined with aprepitant, palonosetron, and dexamethasone for preventing nausea and vomiting induced by cisplatin-based chemotherapy in gynecological cancer: KCOG-G1301 phase II trial.
Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer, , Volume: 24, Issue:2
2016
Evaluation of the safety profile of Zolafren®, a generic olanzapine formulation, in patients with bipolar disorder: a post-authorization safety study.
Advances in therapy, , Volume: 32, Issue:5
2015
Antipsychotics-associated serious adverse events in children: an analysis of the FAERS database.
International journal of medical sciences, , Volume: 12, Issue:2
2015
Comparative cardiovascular safety of risperidone and olanzapine, based on electrocardiographic parameters and blood pressure: a prospective open label observational study.
Indian journal of pharmacology, , Volume: 46, Issue:5
Haloperidol, risperidone, olanzapine and aripiprazole in the management of delirium: A comparison of efficacy, safety, and side effects.
Palliative & supportive care, , Volume: 13, Issue:4
2015
The safety of olanzapine in young children: a systematic review and meta-analysis.
Drug safety, , Volume: 37, Issue:10
2014
Safety of antipsychotic drugs: focus on therapeutic and adverse effects.
Expert opinion on drug safety, , Volume: 13, Issue:8
2014
Pharmacogenetics of adverse events in schizophrenia treatment: comparison study of ziprasidone, olanzapine and perazine.
Psychiatry research, , Oct-30, Volume: 219, Issue:2
2014
Long-term safety and efficacy of olanzapine long-acting injection in patients with schizophrenia or schizoaffective disorder: a 6-year, multinational, single-arm, open-label study.
International clinical psychopharmacology, , Volume: 29, Issue:6
2014
Quality of life in patients with schizophrenia: the impact of socio-economic factors and adverse effects of atypical antipsychotics drugs.
The Psychiatric quarterly, , Volume: 85, Issue:3
2014
Nanoencapsulation of olanzapine increases its efficacy in antipsychotic treatment and reduces adverse effects.
Journal of biomedical nanotechnology, , Volume: 10, Issue:6
2014
A double-blind, randomized comparison study of efficacy and safety of intramuscular olanzapine and intramuscular haloperidol in patients with schizophrenia and acute agitated behavior.
Journal of clinical psychopharmacology, , Volume: 34, Issue:3
2014
Quantitative drug benefit-risk assessment: utility of modeling and simulation to optimize drug safety in older adults.
The Annals of pharmacotherapy, , Volume: 48, Issue:3
2014
A naturalistic comparison study of the efficacy and safety of intramuscular olanzapine, intramuscular haloperidol, and intramuscular levomepromazine in acute agitated patients with schizophrenia.
Human psychopharmacology, , Volume: 29, Issue:1
2014
A pooled analysis of injection site-related adverse events in patients with schizophrenia treated with olanzapine long-acting injection.
BMC psychiatry, , Jan-14, Volume: 14
2014
Safety and efficacy of olanzapine in the long-term treatment of Japanese patients with bipolar I disorder, depression: an integrated analysis.
Psychiatry and clinical neurosciences, , Volume: 68, Issue:7
2014
A novel analog of olanzapine linked to sarcosinyl moiety (PGW5) demonstrates high efficacy and good safety profile in mouse models of schizophrenia.
European neuropsychopharmacology : the journal of the European College of Neuropsychopharmacology, , Volume: 24, Issue:3
2014
Switching antipsychotic medications to reduce adverse event burden in schizophrenia: establishing evidence-based practice.
The Journal of clinical psychiatry, , Volume: 74, Issue:11
2013
Adverse effects associated with high-dose olanzapine therapy in patients admitted to inpatient psychiatric care.
Clinical toxicology (Philadelphia, Pa.), , Volume: 52, Issue:1
2014
Single- and multiple-dose pharmacokinetic, safety, and tolerability profiles of olanzapine long-acting injection: an open-label, multicenter, nonrandomized study in patients with schizophrenia.
Clinical therapeutics, , Volume: 35, Issue:12
2013
Efficacy and safety of haloperidol versus atypical antipsychotic medications in the treatment of delirium.
BMC psychiatry, , Sep-30, Volume: 13
2013
Drug safety evaluation of olanzapine pamoate.
Expert opinion on drug safety, , Volume: 12, Issue:6
2013
The efficacy and safety of switching to ziprasidone from olanzapine in patients with bipolar I disorder: an 8-week, multicenter, open-label study.
Clinical drug investigation, , Volume: 33, Issue:10
2013
Indirect comparison analysis of efficacy and safety between olanzapine and aripiprazole for schizophrenia.
British journal of clinical pharmacology, , Volume: 77, Issue:5
2014
Olanzapine depot formulation in rat: a step forward in modelling antipsychotic-induced metabolic adverse effects.
The international journal of neuropsychopharmacology, , Volume: 17, Issue:1
2014

Long-term Use (81)

ArticleYear
Treatment of severe tardive dyskinesia with concurrent administration of olanzapine, clonazepam, baclofen, and gabapentin: a case report.
The Journal of international medical research, , Volume: 51, Issue:10
2023
Characteristics of adverse reactions among antipsychotic drugs using the Korean Adverse Event Reporting System database from 2010 to 2019.
Journal of psychopharmacology (Oxford, England), , Volume: 36, Issue:9
2022
The mechanisms underlying olanzapine-induced insulin resistance via the brown adipose tissue and the therapy in rats.
Adipocyte, , Volume: 11, Issue:1
2022
Late-Onset Dystonia With Low-Dose Olanzapine in an Older Person: A Case Report.
The Senior care pharmacist, , Oct-01, Volume: 36, Issue:10
2021
Crosstalk of hypothalamic chemerin, histamine, and AMPK in diet-and olanzapine-induced obesity in rats.
Life sciences, , Nov-01, Volume: 284
2021
Central retinal vein occlusion in a patient using the antipsychotic drug olanzapine: a case report.
Journal of medical case reports, , May-29, Volume: 15, Issue:1
2021
Antipsychotic long-term treatment in children and young people: a systematic review and meta-analysis of efficacy and tolerability across mental health and neurodevelopmental conditions.
CNS spectrums, , Volume: 27, Issue:5
2022
Identification and characterization of proteins that are differentially expressed in adipose tissue of olanzapine-induced insulin resistance rat by iTRAQ quantitative proteomics.
Journal of proteomics, , 02-10, Volume: 212
2020
Chronic olanzapine administration causes metabolic syndrome through inflammatory cytokines in rodent models of insulin resistance.
Scientific reports, , 02-07, Volume: 9, Issue:1
2019
Chronic Atypical Antipsychotic Use Is Associated With Reduced Need for Postoperative Nausea and Vomiting Rescue in the Postanesthesia Care Unit: A Propensity-Matched Retrospective Observational Study.
Anesthesia and analgesia, , Volume: 130, Issue:1
2020
An investigation of regional cerebral blood flow and tissue structure changes after acute administration of antipsychotics in healthy male volunteers.
Human brain mapping, , Volume: 39, Issue:1
2018
Re-arrangements of gene transcripts at glutamatergic synapses after prolonged treatments with antipsychotics: A putative link with synaptic remodeling.
Progress in neuro-psychopharmacology & biological psychiatry, , 06-02, Volume: 76
2017
Chronic Olanzapine Treatment Induces Disorders of Plasma Fatty Acid Profile in Balb/c Mice: A Potential Mechanism for Olanzapine-Induced Insulin Resistance.
PloS one, , Volume: 11, Issue:12
2016
Blepharospasm: an uncommon adverse effect caused by long-term administration of olanzapine.
Journal of basic and clinical physiology and pharmacology, , Jan-01, Volume: 28, Issue:1
2017
Chlorpromazine versus atypical antipsychotic drugs for schizophrenia.
The Cochrane database of systematic reviews, , Apr-05, Volume: 4
2016
Effects of neuroleptics administration on adult neurogenesis in the rat hypothalamus.
Pharmacological reports : PR, , Volume: 67, Issue:6
2015
Effects of antipsychotic drugs on the expression of synapse-associated proteins in the frontal cortex of rats subjected to immobilization stress.
Psychiatry research, , Oct-30, Volume: 229, Issue:3
2015
Pharmacokinetics of olanzapine long-acting injection: the clinical perspective.
International clinical psychopharmacology, , Volume: 29, Issue:6
2014
Nanoencapsulation of olanzapine increases its efficacy in antipsychotic treatment and reduces adverse effects.
Journal of biomedical nanotechnology, , Volume: 10, Issue:6
2014
Safety and efficacy of olanzapine in the long-term treatment of Japanese patients with bipolar I disorder, depression: an integrated analysis.
Psychiatry and clinical neurosciences, , Volume: 68, Issue:7
2014
Influence of aripiprazole and olanzapine on behavioral dysfunctions of adolescent rats exposed to stress in perinatal period.
Pharmacological reports : PR, , Volume: 65, Issue:1
2013
Effects of fluoxetine, tianeptine and olanzapine on unpredictable chronic mild stress-induced depression-like behavior in mice.
Life sciences, , Dec-17, Volume: 91, Issue:25-26
2012
Energy metabolism, leptin, and biochemical parameters are altered in rats subjected to the chronic administration of olanzapine.
Revista brasileira de psiquiatria (Sao Paulo, Brazil : 1999), , Volume: 34, Issue:2
2012
Effects of antipsychotic drugs on BDNF, GSK-3β, and β-catenin expression in rats subjected to immobilization stress.
Neuroscience research, , Volume: 71, Issue:4
2011
Olanzapine-induced hyperphagia and weight gain associate with orexigenic hypothalamic neuropeptide signaling without concomitant AMPK phosphorylation.
PloS one, , Volume: 6, Issue:6
2011
Concomitant use of carbamazepine and olanzapine and the effect on some behavioral functions in rats.
Pharmacological reports : PR, , Volume: 63, Issue:2
2011
Olanzapine plus fluoxetine treatment increases Nt-3 protein levels in the rat prefrontal cortex.
Neuroscience letters, , Jun-22, Volume: 497, Issue:2
2011
Treatment with olanzapine, fluoxetine and olanzapine/fluoxetine alters citrate synthase activity in rat brain.
Neuroscience letters, , Jan-10, Volume: 487, Issue:3
2011
Olanzapine promotes fat accumulation in male rats by decreasing physical activity, repartitioning energy and increasing adipose tissue lipogenesis while impairing lipolysis.
Molecular psychiatry, , Volume: 16, Issue:5
2011
Antipsychotic-induced gene regulation in multiple brain regions.
Journal of neurochemistry, , Volume: 113, Issue:1
2010
Effects of olanzapine, fluoxetine and olanzapine/fluoxetine on creatine kinase activity in rat brain.
Brain research bulletin, , Dec-16, Volume: 80, Issue:6
2009
Lithium, antipsychotics, and risk of psoriasis.
Journal of clinical psychopharmacology, , Volume: 29, Issue:2
2009
Long-term treatments with low- and high dose olanzapine change hepatocyte numbers in rats. A stereological and histopathological study.
Archives of medical research, , Volume: 40, Issue:3
2009
A long-term trial of the effectiveness and safety of atypical antipsychotic agents in augmenting SSRI-refractory obsessive-compulsive disorder.
The Journal of clinical psychiatry, , Volume: 70, Issue:6
2009
Chronic administration of olanzapine affects Behavioral Satiety Sequence and feeding behavior in female mice.
Eating and weight disorders : EWD, , Volume: 13, Issue:3
2008
Insulin sensitivity, adjusted beta-cell function and adiponectinaemia among lean drug-naive schizophrenic patients treated with atypical antipsychotic drugs: a nine-month prospective study.
Diabetes & metabolism, , Volume: 34, Issue:5
2008
Decreased levels of ghrelin, cortisol, and fasting blood sugar, but not n-octanoylated ghrelin, in Japanese schizophrenic inpatients treated with olanzapine.
Progress in neuro-psychopharmacology & biological psychiatry, , Aug-01, Volume: 32, Issue:6
2008
Olanzapine (LY170053, 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5] benzodiazepine), but not the novel atypical antipsychotic ST2472 (9-piperazin-1-ylpyrrolo[2,1-b][1,3]benzothiazepine), chronic administration induces weight gain, hyperphagia
The Journal of pharmacology and experimental therapeutics, , Volume: 326, Issue:3
2008
Lack of effect of antipsychotics on BNDF and NGF levels in hippocampus of Wistar rats.
Metabolic brain disease, , Volume: 23, Issue:2
2008
Antipsychotic-induced oxidative stress in rat brain.
Neurotoxicity research, , Volume: 13, Issue:1
2008
Investigation into the influence of a high fat diet on antipsychotic-induced weight gain in female rats.
Journal of psychopharmacology (Oxford, England), , Volume: 22, Issue:2
2008
Effects of chronic treatment of olanzapine and haloperidol on peptide YY binding densities in the rat brain.
Experimental neurology, , Volume: 209, Issue:1
2008
Obsessive-compulsive disorder followed by psychotic episode in long-term ecstasy misuse.
The world journal of biological psychiatry : the official journal of the World Federation of Societies of Biological Psychiatry, , Volume: 10, Issue:4 Pt 2
2009
Effect of chronic infusion of olanzapine and clozapine on food intake and body weight gain in male and female rats.
Life sciences, , Sep-01, Volume: 81, Issue:12
2007
Effect of antipsychotics on succinate dehydrogenase and cytochrome oxidase activities in rat brain.
Naunyn-Schmiedeberg's archives of pharmacology, , Volume: 376, Issue:1-2
2007
The orexin-1 receptor antagonist SB-334867 blocks the effects of antipsychotics on the activity of A9 and A10 dopamine neurons: implications for antipsychotic therapy.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 32, Issue:4
2007
A decision model to compare health care costs of olanzapine and risperidone treatment for schizophrenia in Germany.
The European journal of health economics : HEPAC : health economics in prevention and care, , Volume: 7, Issue:3
2006
Long-term use of atypical antipsychotics in bipolar disorder.
Pharmacotherapy, , Volume: 26, Issue:8
2006
The effect of long-term antipsychotic treatment on prolactin.
Journal of child and adolescent psychopharmacology, , Volume: 16, Issue:3
2006
Chronic administration of olanzapine induces metabolic and food intake alterations: a mouse model of the atypical antipsychotic-associated adverse effects.
Psychopharmacology, , Volume: 186, Issue:4
2006
Modification of spatial recognition memory and object discrimination after chronic administration of haloperidol, amitriptyline, sodium valproate or olanzapine in normal and anhedonic rats.
The international journal of neuropsychopharmacology, , Volume: 10, Issue:3
2007
A regional comparison of developing diabetes among VA patients exposed to typical and atypical antipsychotics relative to corticosteroids and proton pump inhibitors.
Annals of clinical psychiatry : official journal of the American Academy of Clinical Psychiatrists, , Volume: 18, Issue:1
Hormonal and metabolic effects of olanzapine and clozapine related to body weight in rodents.
Obesity (Silver Spring, Md.), , Volume: 14, Issue:1
2006
Differential effects of long-term treatment with typical and atypical antipsychotics on NGF and BDNF levels in rat striatum and hippocampus.
Schizophrenia research, , Feb-15, Volume: 82, Issue:1
2006
Chronic olanzapine treatment causes differential expression of genes in frontal cortex of rats as revealed by DNA microarray technique.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 31, Issue:9
2006
Long-term exposure to the atypical antipsychotic olanzapine differently up-regulates extracellular signal-regulated kinases 1 and 2 phosphorylation in subcellular compartments of rat prefrontal cortex.
Molecular pharmacology, , Volume: 69, Issue:4
2006
Effects of the atypical antipsychotics olanzapine and risperidone on plasma prolactin levels in male rats: a comparison with clinical data.
Psychopharmacology, , Volume: 184, Issue:1
2006
Nocturnal hormone profiles in patients with schizophrenia treated with olanzapine.
Psychoneuroendocrinology, , Volume: 31, Issue:2
2006
Preclinical pharmacology of FMPD [6-fluoro-10-[3-(2-methoxyethyl)-4-methyl-piperazin-1-yl]-2-methyl-4H-3-thia-4,9-diaza-benzo[f]azulene]: a potential novel antipsychotic with lower histamine H1 receptor affinity than olanzapine.
The Journal of pharmacology and experimental therapeutics, , Volume: 315, Issue:3
2005
Gonadotrophin-releasing hormone agonist treatment of aggression in Alzheimer's disease: a case report.
International psychogeriatrics, , Volume: 17, Issue:2
2005
Effects of chronic neuroleptic treatments on nutrient selection, body weight, and body composition in the male rat under dietary self-selection.
Behavioural brain research, , Sep-08, Volume: 163, Issue:2
2005
Effects of chronic administration of olanzapine, amitriptyline, haloperidol or sodium valproate in naive and anhedonic rats.
The international journal of neuropsychopharmacology, , Volume: 9, Issue:4
2006
Olanzapine attenuates the okadaic acid-induced spatial memory impairment and hippocampal cell death in rats.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 30, Issue:8
2005
Chronic coadministration of olanzapine and fluoxetine activates locus coeruleus neurons in rats: implications for bipolar disorder.
Psychopharmacology, , Volume: 181, Issue:1
2005
Olanzapine induced thrombocythemia in Sprague-Dawley rats.
Drug and chemical toxicology, , Volume: 27, Issue:4
2004
Post-stress changes in BDNF and Bcl-2 immunoreactivities in hippocampal neurons: effect of chronic administration of olanzapine.
Brain research, , Oct-29, Volume: 1025, Issue:1-2
2004
Fluoxetine administration potentiates the effect of olanzapine on locus coeruleus neuronal activity.
Biological psychiatry, , Jun-01, Volume: 55, Issue:11
2004
Fluoxetine and olanzapine have synergistic effects in the modulation of fibroblast growth factor 2 expression within the rat brain.
Biological psychiatry, , Jun-01, Volume: 55, Issue:11
2004
An animal model of antipsychotic-induced weight gain.
Behavioural brain research, , Jun-04, Volume: 152, Issue:1
2004
Inhibition of stress-induced dopamine output in the rat prefrontal cortex by chronic treatment with olanzapine.
Biological psychiatry, , Mar-01, Volume: 55, Issue:5
2004
Long-term antidepressant efficacy and safety of olanzapine/fluoxetine combination: a 76-week open-label study.
The Journal of clinical psychiatry, , Volume: 64, Issue:11
2003
H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 28, Issue:3
2003
Chronic administration of haloperidol and olanzapine attenuates ketamine-induced brain metabolic activation.
The Journal of pharmacology and experimental therapeutics, , Volume: 305, Issue:3
2003
Treatment of patients with tardive dystonia with olanzapine.
Clinical neuropharmacology, , Volume: 25, Issue:2
Long-term behavioral and neurodegenerative effects of perinatal phencyclidine administration: implications for schizophrenia.
Neuroscience, , Volume: 107, Issue:4
2001
Influence of olanzapine on cognitive functions and catalepsy in rats after single and chronic administration.
Polish journal of pharmacology, , Volume: 51, Issue:4
Effects of acute and chronic administration of olanzapine in comparison to clozapine and haloperidol on extracellular recordings of substantia nigra reticulata neurons in the rat brain.
Psychopharmacology, , Volume: 144, Issue:3
1999
Chronic olanzapine or sertindole treatment results in reduced oral chewing movements in rats compared to haloperidol.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 19, Issue:5
1998
Atypical antipsychotic drugs selectively increase neurotensin efflux in dopamine terminal regions.
Proceedings of the National Academy of Sciences of the United States of America, , Sep-15, Volume: 95, Issue:19
1998
Atypical antipsychotic drugs and long-term outcome in schizophrenia.
The Journal of clinical psychiatry, , Volume: 57 Suppl 11
1996
Electrophysiological effects of olanzapine, a novel atypical antipsychotic, on A9 and A10 dopamine neurons.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 14, Issue:2
1996

Pharmacokinetics (80)

ArticleYear
Significant predictors for olanzapine pharmacokinetics: a systematic review of population pharmacokinetic studies.
Expert review of clinical pharmacology, , Volume: 16, Issue:6
Population pharmacokinetics and dosing optimization of olanzapine in Chinese paediatric patients: Based on the impact of sex and concomitant valproate on clearance.
Journal of clinical pharmacy and therapeutics, , Volume: 47, Issue:11
2022
Impulse Control Disorders by Dopamine Partial Agonists: A Pharmacovigilance-Pharmacodynamic Assessment Through the FDA Adverse Event Reporting System.
The international journal of neuropsychopharmacology, , 09-28, Volume: 25, Issue:9
2022
[Clinical pharmacokinetics and pharmaceutical forms of long-acting injectable antipsychotics].
Psychiatrike = Psychiatriki, , Jun-10, Volume: 33, Issue:2
2022
Using physiologically-based pharmacokinetic modeling for predicting the effects of hepatic impairment on the pharmacokinetics of olanzapine and samidorphan given as a combination tablet.
CPT: pharmacometrics & systems pharmacology, , Volume: 10, Issue:9
2021
Pharmacodynamic Interactions Between Ketamine and Psychiatric Medications Used in the Treatment of Depression: A Systematic Review.
The international journal of neuropsychopharmacology, , 10-23, Volume: 24, Issue:10
2021
Population Pharmacokinetics of Olanzapine and Samidorphan When Administered in Combination in Healthy Subjects and Patients With Schizophrenia.
Journal of clinical pharmacology, , Volume: 61, Issue:11
2021
Impact of polymorphisms in transporter and metabolizing enzyme genes on olanzapine pharmacokinetics and safety in healthy volunteers.
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, , Volume: 133
2021
Application of Physiologically Based Pharmacokinetic Modeling to Predict the Effect of Renal Impairment on the Pharmacokinetics of Olanzapine and Samidorphan Given in Combination.
Clinical pharmacokinetics, , Volume: 60, Issue:5
2021
Exploring a Safety Signal of Antipsychotic-Associated Pneumonia: A Pharmacovigilance-Pharmacodynamic Study.
Schizophrenia bulletin, , 04-29, Volume: 47, Issue:3
2021
The SNAP 101 Double-Blind, Placebo/Active-Controlled, Safety, Pharmacokinetic, and Pharmacodynamic Study of INP105 (Nasal Olanzapine) in Healthy Adults.
The Journal of clinical psychiatry, , 06-30, Volume: 81, Issue:4
2020
Population pharmacokinetics of olanzapine in children.
British journal of clinical pharmacology, , Volume: 87, Issue:2
2021
Understanding variability in the pharmacokinetics of atypical antipsychotics - focus on clozapine, olanzapine and aripiprazole population models.
Drug metabolism reviews, , Volume: 52, Issue:1
2020
Physiologically-Based Pharmacokinetic Modeling for Predicting Drug Interactions of a Combination of Olanzapine and Samidorphan.
CPT: pharmacometrics & systems pharmacology, , Volume: 9, Issue:2
2020
A platinum black-modified microelectrode for in situ olanzapine detection in microliter volumes of undiluted serum.
Journal of neural transmission (Vienna, Austria : 1996), , Volume: 127, Issue:2
2020
Open-Label, Randomized, Single-Dose, 2-Period, 2-Sequence Crossover, Comparative Pharmacokinetic Study to Evaluate Bioequivalence of 2 Oral Formulations of Olanzapine Under Fasting and Fed Conditions.
Clinical pharmacology in drug development, , Volume: 9, Issue:5
2020
Combination of Olanzapine and Samidorphan Has No Clinically Significant Effect on the Pharmacokinetics of Lithium or Valproate.
Clinical drug investigation, , Volume: 40, Issue:1
2020
Olanzapine exposure diminishes perfusion and decreases volume of sensorimotor cortex in rats.
Pharmacological reports : PR, , Volume: 71, Issue:5
2019
A Phase I Open-Label Study to Evaluate the Effects of Rifampin on the Pharmacokinetics of Olanzapine and Samidorphan Administered in Combination in Healthy Human Subjects.
Clinical drug investigation, , Volume: 39, Issue:5
2019
Pharmacokinetics and Short-term Safety of ALKS 3831, a Fixed-dose Combination of Olanzapine and Samidorphan, in Adult Subjects with Schizophrenia.
Clinical therapeutics, , Volume: 40, Issue:11
2018
Development of a population pharmacokinetic model of olanzapine for Chinese health volunteers and patients with schizophrenia.
BMJ open, , 08-17, Volume: 8, Issue:8
2018
Impact of CYP1A2 genetic polymorphisms on pharmacokinetics of antipsychotic drugs: a systematic review and meta-analysis.
Acta psychiatrica Scandinavica, , Volume: 139, Issue:1
2019
Supported liquid extraction and LC-MS-MS determination of iloperidone and olanzapine in rat plasma: Application to a pharmacokinetic study.
Journal of chromatographic science, , Nov-01, Volume: 56, Issue:10
2018
Prediction of olanzapine exposure in individual patients using physiologically based pharmacokinetic modelling and simulation.
British journal of clinical pharmacology, , Volume: 84, Issue:3
2018
A pharmacodynamic modelling and simulation study identifying gender differences of daily olanzapine dose and dopamine D2-receptor occupancy.
Nordic journal of psychiatry, , Volume: 71, Issue:6
2017
Investigations on pharmacokinetics and biodistribution of polymeric and solid lipid nanoparticulate systems of atypical antipsychotic drug: effect of material used and surface modification.
Drug development and industrial pharmacy, , Volume: 43, Issue:4
2017
Chronic exposure to haloperidol and olanzapine leads to common and divergent shape changes in the rat hippocampus in the absence of grey-matter volume loss.
Psychological medicine, , Volume: 46, Issue:15
2016
Population pharmacokinetics analysis of olanzapine for Chinese psychotic patients based on clinical therapeutic drug monitoring data with assistance of meta-analysis.
European journal of clinical pharmacology, , Volume: 72, Issue:8
2016
SSRI-antipsychotic combination in psychotic depression: sertraline pharmacokinetics in the presence of olanzapine, a brief report from the STOP-PD study.
Human psychopharmacology, , Volume: 31, Issue:3
2016
Individual differences in in vitro and in vivo metabolic clearances of the antipsychotic drug olanzapine from non-smoking and smoking Japanese subjects genotyped for cytochrome P4502D6 and flavincontaining monooxygenase 3.
Human psychopharmacology, , Volume: 31, Issue:2
2016
In-depth neuropharmacokinetic analysis of antipsychotics based on a novel approach to estimate unbound target-site concentration in CNS regions: link to spatial receptor occupancy.
Molecular psychiatry, , Volume: 21, Issue:11
2016
Predicting Plasma Olanzapine Concentration Following a Change in Dosage: A Population Pharmacokinetic Study.
Pharmacopsychiatry, , Volume: 48, Issue:7
2015
Concurrent determination of olanzapine, risperidone and 9-hydroxyrisperidone in human plasma by ultra performance liquid chromatography with diode array detection method: application to pharmacokinetic study.
Biomedical chromatography : BMC, , Volume: 30, Issue:2
2016
The Impact of Sertraline Co-Administration on the Pharmacokinetics of Olanzapine: A Population Pharmacokinetic Analysis of the STOP-PD.
Clinical pharmacokinetics, , Volume: 54, Issue:11
2015
The development and validation of a method for quantifying olanzapine in human plasma by liquid chromatography tandem mass spectrometry and its application in a pharmacokinetic study.
Clinical and experimental pharmacology & physiology, , Volume: 42, Issue:3
2015
Abnormal olanzapine toxicokinetic profiles--population pharmacokinetic analysis.
Toxicology mechanisms and methods, , Volume: 25, Issue:1
2015
Effect of fosamprenavir/ritonavir on the pharmacokinetics of single-dose olanzapine in healthy volunteers.
International journal of antimicrobial agents, , Volume: 44, Issue:2
2014
Evaluation of brain targeting efficiency of intranasal microemulsion containing olanzapine: pharmacodynamic and pharmacokinetic consideration.
Drug delivery, , Volume: 23, Issue:1
2016
Pharmacokinetics of olanzapine long-acting injection: the clinical perspective.
International clinical psychopharmacology, , Volume: 29, Issue:6
2014
Dopamine D2 receptor occupancy as a predictor of catalepsy in rats: a pharmacokinetic-pharmacodynamic modeling approach.
Pharmaceutical research, , Volume: 31, Issue:10
2014
Single- and multiple-dose pharmacokinetic, safety, and tolerability profiles of olanzapine long-acting injection: an open-label, multicenter, nonrandomized study in patients with schizophrenia.
Clinical therapeutics, , Volume: 35, Issue:12
2013
Reduced cortical volume and elevated astrocyte density in rats chronically treated with antipsychotic drugs-linking magnetic resonance imaging findings to cellular pathology.
Biological psychiatry, , Jun-15, Volume: 75, Issue:12
2014
Effects of chronic exercise and treatment with the antipsychotic drug olanzapine on hippocampal volume in adult female rats.
Neuroscience, , Volume: 255
2013
The possibility that requiring high-dose olanzapine cannot be explained by pharmacokinetics in the treatment of acute-phase schizophrenia.
Psychiatry research, , Dec-15, Volume: 210, Issue:2
2013
Pharmacodynamic genetic variants related to antipsychotic adverse reactions in healthy volunteers.
Pharmacogenomics, , Volume: 14, Issue:10
2013
Pharmacokinetic evaluation of olanzapine + fluoxetine for the treatment of bipolar depression.
Expert opinion on drug metabolism & toxicology, , Volume: 9, Issue:2
2013
Pharmacokinetics and bioequivalence of 2 tablet formulations of olanzapine in healthy Chinese volunteers: a randomized, open-label, single-dose study.
Arzneimittel-Forschung, , Volume: 62, Issue:11
2012
Does olanzapine warrant clinical pharmacokinetic monitoring in schizophrenia?
Clinical pharmacokinetics, , Volume: 50, Issue:7
2011
Mechanism-based pharmacokinetic-pharmacodynamic modeling of the dopamine D2 receptor occupancy of olanzapine in rats.
Pharmaceutical research, , Volume: 28, Issue:10
2011
Genetic variation in CYP3A43 explains racial difference in olanzapine clearance.
Molecular psychiatry, , Volume: 16, Issue:6
2011
Anterior internal capsule volumes increase in patients with schizophrenia switched from typical antipsychotics to olanzapine.
Journal of psychopharmacology (Oxford, England), , Volume: 25, Issue:5
2011
Oral olanzapine disposition in adolescents with schizophrenia or bipolar I disorder: a population pharmacokinetic model.
Paediatric drugs, , Volume: 12, Issue:3
2010
Pharmacokinetics of olanzapine in Chinese male schizophrenic patients with various smoking behaviors.
Progress in neuro-psychopharmacology & biological psychiatry, , Dec-12, Volume: 32, Issue:8
2008
Long-term therapeutic drug monitoring of risperidone and olanzapine identifies altered steady-state pharmacokinetics: a clinical, two-group, naturalistic study.
Clinical drug investigation, , Volume: 28, Issue:9
2008
Using pharmacokinetic-pharmacodynamic modelling as a tool for prediction of therapeutic effective plasma levels of antipsychotics.
European journal of pharmacology, , Apr-28, Volume: 584, Issue:2-3
2008
Changes in cortical volume with olanzapine in chronic schizophrenia.
Pharmacopsychiatry, , Volume: 40, Issue:4
2007
A longitudinal study on the effects of typical versus atypical antipsychotic drugs on hippocampal volume in schizophrenia.
Schizophrenia research, , Volume: 94, Issue:1-3
2007
Olanzapine increases grey and white matter volumes in the caudate nucleus of patients with schizophrenia.
Neuropsychobiology, , Volume: 55, Issue:1
2007
Selegiline transdermal system: an examination of the potential for CYP450-dependent pharmacokinetic interactions with 3 psychotropic medications.
Journal of clinical pharmacology, , Volume: 47, Issue:2
2007
Reduced thalamic volume in patients with chronic schizophrenia after switching from typical antipsychotic medications to olanzapine.
The American journal of psychiatry, , Volume: 163, Issue:11
2006
[Reversed phase high-performance liquid chromatography for determination of plasma olanzapine and pharmacokinetics of olanzapine in healthy Chinese volunteers].
Nan fang yi ke da xue xue bao = Journal of Southern Medical University, , Volume: 26, Issue:9
2006
A double-blind, randomized trial to evaluate the pharmacokinetics and tolerability of 30 or 40 mg/d oral olanzapine relative to 20 mg/d oral olanzapine in stable psychiatric subjects.
Clinical therapeutics, , Volume: 28, Issue:6
2006
Pharmacokinetics and tolerability of lamotrigine and olanzapine coadministered to healthy subjects.
British journal of clinical pharmacology, , Volume: 61, Issue:4
2006
Pharmacokinetics of olanzapine after single-dose oral administration of standard tablet versus normal and sublingual administration of an orally disintegrating tablet in normal volunteers.
Journal of clinical pharmacology, , Volume: 46, Issue:2
2006
Pharmacokinetic-pharmacodynamic analysis of antipsychotics-induced extrapyramidal symptoms based on receptor occupancy theory incorporating endogenous dopamine release.
Drug metabolism and pharmacokinetics, , Volume: 20, Issue:3
2005
Dose-dependent alternations in the pharmacokinetics of olanzapine during coadministration of fluvoxamine in patients with schizophrenia.
Journal of clinical pharmacology, , Volume: 44, Issue:12
2004
Reduced basal ganglia volumes after switching to olanzapine in chronically treated patients with schizophrenia.
The American journal of psychiatry, , Volume: 161, Issue:10
2004
The differential effects of steady-state fluvoxamine on the pharmacokinetics of olanzapine and clozapine in healthy volunteers.
Journal of clinical pharmacology, , Volume: 44, Issue:7
2004
Atypical antipsychotics: pharmacokinetics, therapeutic drug monitoring and pharmacological interactions.
Current medicinal chemistry, , Volume: 11, Issue:3
2004
Olanzapine pharmacokinetics are similar in Chinese and Caucasian subjects.
British journal of clinical pharmacology, , Volume: 56, Issue:2
2003
Fluvoxamine augmentation of olanzapine in chronic schizophrenia: pharmacokinetic interactions and clinical effects.
Journal of clinical psychopharmacology, , Volume: 22, Issue:5
2002
Influence of ritonavir on olanzapine pharmacokinetics in healthy volunteers.
Journal of clinical psychopharmacology, , Volume: 22, Issue:4
2002
Influence of fluoxetine on olanzapine pharmacokinetics.
AAPS pharmSci, , Volume: 4, Issue:2
2002
[Olanzapine: pharmacology, pharmacokinetics and therapeutic drug monitoring].
Fortschritte der Neurologie-Psychiatrie, , Volume: 69, Issue:11
2001
Pharmacokinetics and tissue distribution of olanzapine in rats.
Biopharmaceutics & drug disposition, , Volume: 20, Issue:8
1999
Olanzapine pharmacokinetics in pediatric and adolescent inpatients with childhood-onset schizophrenia.
Journal of clinical psychopharmacology, , Volume: 20, Issue:2
2000
Olanzapine. Pharmacokinetic and pharmacodynamic profile.
Clinical pharmacokinetics, , Volume: 37, Issue:3
1999
A pharmacokinetic interaction between carbamazepine and olanzapine: observations on possible mechanism.
European journal of clinical pharmacology, , Volume: 54, Issue:8
1998
Lack of effect of olanzapine on the pharmacokinetics of a single aminophylline dose in healthy men.
Pharmacotherapy, , Volume: 18, Issue:6
Analysis and pharmacokinetics of olanzapine (LY170053) and two metabolites in rat plasma using reversed-phase HPLC with electrochemical detection.
Journal of pharmaceutical and biomedical analysis, , Volume: 14, Issue:5
1996

Bioavailability (47)

ArticleYear
Amorphous and Co-Amorphous Olanzapine Stability in Formulations Intended for Wet Granulation and Pelletization.
International journal of molecular sciences, , Sep-06, Volume: 23, Issue:18
2022
Comparative, Single-Dose, 2-Way Cross-Over Bioavailability Study of Two Olanzapine 10 Mg Tablet Formulations in Healthy Volunteers Under Fasting Conditions.
Prilozi (Makedonska akademija na naukite i umetnostite. Oddelenie za medicinski nauki), , Jul-13, Volume: 43, Issue:2
2022
Opioid antagonism mitigates antipsychotic-associated weight gain: focus on olanzapine.
CNS spectrums, , Volume: 28, Issue:3
2023
[Clinical pharmacokinetics and pharmaceutical forms of long-acting injectable antipsychotics].
Psychiatrike = Psychiatriki, , Jun-10, Volume: 33, Issue:2
2022
Using physiologically-based pharmacokinetic modeling for predicting the effects of hepatic impairment on the pharmacokinetics of olanzapine and samidorphan given as a combination tablet.
CPT: pharmacometrics & systems pharmacology, , Volume: 10, Issue:9
2021
Relevance of production method on the physical stability and in vitro biopharmaceutical performances of olanzapine orodispersible film.
International journal of pharmaceutics, , Jun-15, Volume: 603
2021
The gut microbiome influences the bioavailability of olanzapine in rats.
EBioMedicine, , Volume: 66
2021
Measurement of the amorphous fraction of olanzapine incorporated in a co-amorphous formulation.
International journal of pharmaceutics, , Oct-15, Volume: 588
2020
Poloxamer-407-Co-Poly (2-Acrylamido-2-Methylpropane Sulfonic Acid) Cross-linked Nanogels for Solubility Enhancement of Olanzapine: Synthesis, Characterization, and Toxicity Evaluation.
AAPS PharmSciTech, , May-17, Volume: 21, Issue:5
2020
Sustained delivery of olanzapine from sunflower oil-based polyol-urethane nanoparticles synthesised through a cyclic carbonate ring-opening reaction.
IET nanobiotechnology, , Volume: 13, Issue:7
2019
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
Surface modified niosomes of olanzapine for brain targeting via nasal route; preparation, optimization, and
Journal of liposome research, , Volume: 30, Issue:2
2020
Development of a population pharmacokinetic model of olanzapine for Chinese health volunteers and patients with schizophrenia.
BMJ open, , 08-17, Volume: 8, Issue:8
2018
Bioequivalence of Olanzapine Given in Combination With Samidorphan as a Bilayer Tablet (ALKS 3831) Compared With Olanzapine-Alone Tablets: Results From a Randomized, Crossover Relative Bioavailability Study.
Clinical pharmacology in drug development, , Volume: 8, Issue:4
2019
Evaluation of antioxidant potencial of novel CaAl and NiAl layered double hydroxides loaded with olanzapine.
Life sciences, , Aug-15, Volume: 207
2018
Enhanced oral bioavailability of an antipsychotic drug through nanostructured lipid carriers.
International journal of biological macromolecules, , Apr-15, Volume: 110
2018
Bionanocomposite systems based on montmorillonite and biopolymers for the controlled release of olanzapine.
Materials science & engineering. C, Materials for biological applications, , Jun-01, Volume: 75
2017
Testing of bioactive-nanovesicles on hepatotoxicity of atypical antipsychotics via digital holography.
Colloids and surfaces. B, Biointerfaces, , Apr-01, Volume: 152
2017
Solid microcrystalline dispersion films as a new strategy to improve the dissolution rate of poorly water soluble drugs: A case study using olanzapine.
International journal of pharmaceutics, , Jul-11, Volume: 508, Issue:1-2
2016
Development of micro-fibrous solid dispersions of poorly water-soluble drugs in sucrose using temperature-controlled centrifugal spinning.
European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, , Volume: 103
2016
Enhanced brain targeting efficacy of Olanzapine through solid lipid nanoparticles.
Artificial cells, nanomedicine, and biotechnology, , Volume: 45, Issue:2
2017
Nanoencapsulation Improves Relative Bioavailability and Antipsychotic Effect of Olanzapine in Rats.
Journal of biomedical nanotechnology, , Volume: 11, Issue:8
2015
The Impact of Sertraline Co-Administration on the Pharmacokinetics of Olanzapine: A Population Pharmacokinetic Analysis of the STOP-PD.
Clinical pharmacokinetics, , Volume: 54, Issue:11
2015
Intranasal drug delivery of olanzapine-loaded chitosan nanoparticles.
AAPS PharmSciTech, , Volume: 15, Issue:6
2014
[Long acting injectable antipsychotics in the treatment of schizophrenia: a review of literature].
Rivista di psichiatria, , Volume: 49, Issue:3
Inclusion complex of methyl-β-cyclodextrin and olanzapine as potential drug delivery system for schizophrenia.
Carbohydrate polymers, , Aug-01, Volume: 89, Issue:4
2012
Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.
Journal of medicinal chemistry, , Mar-27, Volume: 57, Issue:6
2014
Mental state deterioration after switching from brand-name to generic olanzapine in an adolescent with bipolar affective disorder, autism and intellectual disability: a case study.
BMC psychiatry, , Oct-04, Volume: 13
2013
The psychopharmacology algorithm project at the Harvard South Shore Program: an update on schizophrenia.
Harvard review of psychiatry, , Volume: 21, Issue:1
Single dose bioequivalence study of two brands of olanzapine 10 mg tablets in Iranian healthy volunteers.
Drug research, , Volume: 63, Issue:7
2013
Pharmacokinetics and bioequivalence of 2 tablet formulations of olanzapine in healthy Chinese volunteers: a randomized, open-label, single-dose study.
Arzneimittel-Forschung, , Volume: 62, Issue:11
2012
Discovery of tetrahydropyridopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorganic & medicinal chemistry letters, , Sep-15, Volume: 22, Issue:18
2012
Brain delivery of olanzapine by intranasal administration of transfersomal vesicles.
Journal of liposome research, , Volume: 22, Issue:4
2012
Phospholipid based colloidal poloxamer-nanocubic vesicles for brain targeting via the nasal route.
Colloids and surfaces. B, Biointerfaces, , Dec-01, Volume: 100
2012
Effect of olanzapine orally disintegrating tablet versus oral standard tablet on body weight in patients with schizophrenia: a randomized open-label trial.
Progress in neuro-psychopharmacology & biological psychiatry, , Mar-30, Volume: 36, Issue:2
2012
Natural oils as skin permeation enhancers for transdermal delivery of olanzapine: in vitro and in vivo evaluation.
Current drug delivery, , Volume: 9, Issue:2
2012
Development and evaluation of olanzapine-loaded PLGA nanoparticles for nose-to-brain delivery: in vitro and in vivo studies.
Acta biomaterialia, , Volume: 7, Issue:12
2011
Development and validation of a liquid chromatography-isotope dilution tandem mass spectrometry for determination of olanzapine in human plasma and its application to bioavailability study.
Yao xue xue bao = Acta pharmaceutica Sinica, , Volume: 45, Issue:6
2010
Controlled release matrix tablets of olanzapine: influence of polymers on the in vitro release and bioavailability.
AAPS PharmSciTech, , Volume: 11, Issue:3
2010
A single-dose, randomized, two-way crossover study comparing two olanzapine tablet products in healthy adult male volunteers under fasting conditions.
Clinical therapeutics, , Volume: 31, Issue:3
2009
Subnanomolar dopamine D3 receptor antagonism coupled to moderate D2 affinity results in favourable antipsychotic-like activity in rodent models: II. behavioural characterisation of RG-15.
Naunyn-Schmiedeberg's archives of pharmacology, , Volume: 378, Issue:5
2008
Development and validation of a sensitive liquid chromatography/electrospray tandem mass spectrometry assay for the quantification of olanzapine in human plasma.
Journal of pharmaceutical and biomedical analysis, , Jun-07, Volume: 41, Issue:3
2006
Advances in atypical antipsychotics for the treatment of schizophrenia: new formulations and new agents.
CNS drugs, , Volume: 16, Issue:4
2002
QSAR model for drug human oral bioavailability.
Journal of medicinal chemistry, , Jun-29, Volume: 43, Issue:13
2000
Olanzapine: a serotonin-dopamine-receptor antagonist for antipsychotic therapy.
American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists, , May-15, Volume: 55, Issue:10
1998
Disposition and metabolism of olanzapine in mice, dogs, and rhesus monkeys.
Drug metabolism and disposition: the biological fate of chemicals, , Volume: 25, Issue:5
1997

Dosage (422)

ArticleYear
CYP1A2 expression rather than genotype is associated with olanzapine concentration in psychiatric patients.
Scientific reports, , 10-28, Volume: 13, Issue:1
2023
Second International Consensus Study of Antipsychotic Dosing (ICSAD-2).
Journal of psychopharmacology (Oxford, England), , Volume: 37, Issue:10
2023
Significant predictors for olanzapine pharmacokinetics: a systematic review of population pharmacokinetic studies.
Expert review of clinical pharmacology, , Volume: 16, Issue:6
Coadministration of olanzapine causes minor impacts on the diabetogenic outcomes induced by dexamethasone treatment in rats.
Life sciences, , Jun-01, Volume: 322
2023
A review of various analytical methods for the estimation of olanzapine: An antipsychotic drug.
Biomedical chromatography : BMC, , Volume: 37, Issue:7
2023
Coma, Severe Hypotension, and Pinpoint Pupils After Olanzapine Intoxication in the Intensive Care Unit with Symptom Reversal After Administration of Flumazenil.
The American journal of case reports, , Dec-01, Volume: 23
2022
Investigating the effects of antipsychotics on brain insulin action: Study protocol for a multi-modality magnetic resonance imaging (MRI) study in healthy controls.
PloS one, , Volume: 17, Issue:11
2022
Effects of Age, Sex, and Comedication on the Plasma Concentrations of Olanzapine in Chinese Patients With Schizophrenia Based on Therapeutic Drug Monitoring Data.
Journal of clinical psychopharmacology, , Volume: 42, Issue:6
Development and evaluation of a drug-in-adhesive transdermal delivery system for delivery of olanzapine.
Expert opinion on drug delivery, , Volume: 19, Issue:11
2022
Neuroleptic malignant syndrome secondary to olanzapine, a presentation with severe acute kidney injury requiring hemodialysis: a case report.
Journal of medical case reports, , Oct-06, Volume: 16, Issue:1
2022
Antipsychotic Safety in Liver Disease: A Narrative Review and Practical Guide for the Clinician.
Journal of the Academy of Consultation-Liaison Psychiatry, , Volume: 64, Issue:1
Amorphous and Co-Amorphous Olanzapine Stability in Formulations Intended for Wet Granulation and Pelletization.
International journal of molecular sciences, , Sep-06, Volume: 23, Issue:18
2022
Pharmacological interventions for the treatment of disordered and problem gambling.
The Cochrane database of systematic reviews, , 09-22, Volume: 9
2022
Population pharmacokinetics and dosing optimization of olanzapine in Chinese paediatric patients: Based on the impact of sex and concomitant valproate on clearance.
Journal of clinical pharmacy and therapeutics, , Volume: 47, Issue:11
2022
Olanzapine in oncology palliative care.
Klinicka onkologie : casopis Ceske a Slovenske onkologicke spolecnosti, ,Summer, Volume: 35, Issue:4
2022
Comorbidities and the right dose: antipsychotics.
Expert opinion on drug metabolism & toxicology, , Volume: 18, Issue:7-8
Driving fitness in clinically stable outpatients with chronic schizophrenia.
Comprehensive psychiatry, , Volume: 118
2022
Efficacy of Olanzapine 5 mg versus 10 mg for the Prophylaxis of Chemotherapy-Induced Nausea and Vomiting in Patients Receiving High Emetic Risk Chemotherapy without Neurokinin-1 Receptor Antagonist.
Asian Pacific journal of cancer prevention : APJCP, , Jun-01, Volume: 23, Issue:6
2022
Letter to the Editor: Rethinking The Cost Of Antipsychotic Treatment: The Average Cost Of The Drugs Used In Turkey In 2020.
Turk psikiyatri dergisi = Turkish journal of psychiatry, ,Summer, Volume: 33, Issue:2
2022
Optimal Doses of Specific Antipsychotics for Relapse Prevention in a Nationwide Cohort of Patients with Schizophrenia.
Schizophrenia bulletin, , 06-21, Volume: 48, Issue:4
2022
Serum levels of olanzapine are associated with acute cognitive effects in bipolar disorder.
Psychiatry research, , Volume: 310
2022
Amisulpride and olanzapine combination treatment versus each monotherapy in acutely ill patients with schizophrenia in Germany (COMBINE): a double-blind randomised controlled trial.
The lancet. Psychiatry, , Volume: 9, Issue:4
2022
Antipsychotic-Induced Weight Gain: Dose-Response Meta-Analysis of Randomized Controlled Trials.
Schizophrenia bulletin, , 05-07, Volume: 48, Issue:3
2022
Efficacy and Safety of Olanzapine in Children Receiving Highly Emetogenic Chemotherapy: A Randomized, Double-blind Placebo-controlled Phase 3 Trial.
Journal of pediatric hematology/oncology, , 11-01, Volume: 44, Issue:8
2022
Olanzapine/Samidorphan: New Drug Approved for Treating Bipolar I Disorder and Schizophrenia.
The Annals of pharmacotherapy, , Volume: 56, Issue:9
2022
Effect of CYP2C19 polymorphisms on serum valproic level acid in Chinese Han patients with schizophrenia.
Scientific reports, , 11-30, Volume: 11, Issue:1
2021
Olanzapine intramuscular shows better efficacy than zuclopenthixol acetate intramuscular in reducing the need for restraint, but not in comparison to haloperidol intramuscular.
International clinical psychopharmacology, , 01-01, Volume: 37, Issue:1
2022
Antipsychotic medication for women with schizophrenia spectrum disorders.
Psychological medicine, , Volume: 52, Issue:4
2022
Metabolic adverse effects of off-label use of second-generation antipsychotics in the adult population: a systematic review and meta-analysis.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 47, Issue:3
2022
Inpatient treatment of anorexia nervosa with adjunctive valproate: a case series of 14 young and adolescent patients.
Eating and weight disorders : EWD, , Volume: 27, Issue:3
2022
Extrapyramidal Symptoms Induced by Treatment for Delirium: A Case Report.
Critical care nurse, , Jun-01, Volume: 41, Issue:3
2021
Prescribing pattern of antipsychotic medication for first-episode psychosis: a retrospective cohort study.
BMJ open, , 01-31, Volume: 11, Issue:1
2021
Antipsychotics and hemodialysis: A systematic review.
Asian journal of psychiatry, , Volume: 55
2021
The Psychopharmacology Algorithm Project at the Harvard South Shore Program: An update on management of behavioral and psychological symptoms in dementia.
Psychiatry research, , Volume: 295
2021
Occurrence of metabolic diseases associated with antipsychotic use among Korean patients with schizophrenia.
International journal of clinical pharmacology and therapeutics, , Volume: 59, Issue:4
2021
Augmentation with Atypical Antipsychotics for Treatment-Resistant Depression.
Journal of affective disorders, , 02-01, Volume: 280, Issue:Pt A
2021
Standardizing the Effective Correlated Dosage of Olanzapine and Empagliflozin in Female Wistar Rats.
Current gene therapy, , Volume: 21, Issue:1
2021
A comprehensive entomological survey and evaluation of the efficacy of different therapies on a suspected delusional parasitosis case.
Brain and behavior, , Volume: 11, Issue:1
2021
Measurement of the amorphous fraction of olanzapine incorporated in a co-amorphous formulation.
International journal of pharmaceutics, , Oct-15, Volume: 588
2020
Population pharmacokinetics of olanzapine in children.
British journal of clinical pharmacology, , Volume: 87, Issue:2
2021
Comparative risk of Parkinsonism associated with olanzapine, risperidone and quetiapine in older adults-a propensity score matched cohort study.
Pharmacoepidemiology and drug safety, , Volume: 29, Issue:6
2020
The effects of aripiprazole and olanzapine on pupillary light reflex and its relationship with pharmacogenetics in a randomized multiple-dose trial.
British journal of clinical pharmacology, , Volume: 86, Issue:10
2020
Randomized, double-blind, placebo-controlled study of aprepitant versus two dosages of olanzapine with ondansetron plus dexamethasone for prevention of chemotherapy-induced nausea and vomiting in patients receiving high-emetogenic chemotherapy.
Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer, , Volume: 28, Issue:11
2020
The dosage-dependent effects of cevimeline in preventing olanzapine-induced metabolic side-effects in female rats.
Pharmacology, biochemistry, and behavior, , Volume: 191
2020
A Retrospective Analysis of Steady-State Olanzapine Concentrations in Chinese Patients Using Therapeutic Drug Monitoring: Effects of Valproate and Other Factors.
Therapeutic drug monitoring, , Volume: 42, Issue:4
2020
Understanding variability in the pharmacokinetics of atypical antipsychotics - focus on clozapine, olanzapine and aripiprazole population models.
Drug metabolism reviews, , Volume: 52, Issue:1
2020
Olanzapine increases AMPK-NPY orexigenic signaling by disrupting H1R-GHSR1a interaction in the hypothalamic neurons of mice.
Psychoneuroendocrinology, , Volume: 114
2020
Dose-Response Meta-Analysis of Antipsychotic Drugs for Acute Schizophrenia.
The American journal of psychiatry, , 04-01, Volume: 177, Issue:4
2020
Effects of long-term antipsychotics treatment on body weight: A population-based cohort study.
Journal of psychopharmacology (Oxford, England), , Volume: 34, Issue:1
2020
Combination of Olanzapine and Samidorphan Has No Clinically Significant Effect on the Pharmacokinetics of Lithium or Valproate.
Clinical drug investigation, , Volume: 40, Issue:1
2020
A randomized double-blind controlled trial to assess the benefits of amisulpride and olanzapine combination treatment versus each monotherapy in acutely ill schizophrenia patients (COMBINE): methods and design.
European archives of psychiatry and clinical neuroscience, , Volume: 270, Issue:1
2020
Effect of Continuing Olanzapine vs Placebo on Relapse Among Patients With Psychotic Depression in Remission: The STOP-PD II Randomized Clinical Trial.
JAMA, , 08-20, Volume: 322, Issue:7
2019
Therapeutic Drug Monitoring of Olanzapine and Cytochrome P450 Genotyping in Nonsmoking Subjects.
Therapeutic drug monitoring, , Volume: 42, Issue:2
2020
Olanzapine exposure diminishes perfusion and decreases volume of sensorimotor cortex in rats.
Pharmacological reports : PR, , Volume: 71, Issue:5
2019
Bayesian Meta-analysis of Multiple Continuous Treatments with Individual Participant-Level Data: An Application to Antipsychotic Drugs.
Medical decision making : an international journal of the Society for Medical Decision Making, , Volume: 39, Issue:5
2019
Pathological Concentration of C-reactive Protein is Correlated to Increased Concentrations of Quetiapine, But Not of Risperidone, Olanzapine and Aripiprazole in a Naturalistic Setting.
Pharmacopsychiatry, , Volume: 53, Issue:1
2020
A Phase I Open-Label Study to Evaluate the Effects of Rifampin on the Pharmacokinetics of Olanzapine and Samidorphan Administered in Combination in Healthy Human Subjects.
Clinical drug investigation, , Volume: 39, Issue:5
2019
Hormonal imbalance and pituitary adenoma during antipsychotic treatment in an adolescent with bipolar affective disorder.
Rivista di psichiatria, , Volume: 54, Issue:1
Switching to paliperidone extended release in patients with schizophrenia dissatisfied with previous olanzapine treatment: Post hoc analysis of an open-label, prospective study.
Medicine, , Volume: 98, Issue:3
2019
[Cost-effectiveness study of olanzapine pamoate: Mirror-image analysis after one year].
L'Encephale, , Volume: 45, Issue:3
2019
Early predictors of poor treatment response in patients with schizophrenia treated with atypical antipsychotics.
BMC psychiatry, , 12-04, Volume: 18, Issue:1
2018
Resistance is not futile: treatment-refractory schizophrenia - overview, evaluation and treatment.
Expert opinion on pharmacotherapy, , Volume: 20, Issue:1
2019
Impact of CYP1A2 genetic polymorphisms on pharmacokinetics of antipsychotic drugs: a systematic review and meta-analysis.
Acta psychiatrica Scandinavica, , Volume: 139, Issue:1
2019
High-density lipoprotein-cholesterol and antipsychotic medication in overweight inpatients with schizophrenia: post-hoc analysis of a Japanese nationwide survey.
BMC psychiatry, , 06-08, Volume: 18, Issue:1
2018
Second-generation antipsychotic and diabetes mellitus in children and adolescents.
La Pediatria medica e chirurgica : Medical and surgical pediatrics, , Dec-13, Volume: 39, Issue:4
2017
Predictors of remission during acute treatment of first-episode schizophrenia patients involuntarily hospitalized and treated with algorithm-based pharmacotherapy: Secondary analysis of an observational study.
Early intervention in psychiatry, , Volume: 13, Issue:3
2019
Dose reduction of risperidone and olanzapine can improve cognitive function and negative symptoms in stable schizophrenic patients: A single-blinded, 52-week, randomized controlled study.
Journal of psychopharmacology (Oxford, England), , Volume: 32, Issue:5
2018
Occurrence of post-injection delirium/sedation syndrome after application of olanzapine long-acting injection during one year period.
Psychiatria Danubina, , Volume: 29, Issue:4
2017
Prediction of olanzapine exposure in individual patients using physiologically based pharmacokinetic modelling and simulation.
British journal of clinical pharmacology, , Volume: 84, Issue:3
2018
Treatment Patterns, Health Care Resource Utilization, and Spending in Medicaid Beneficiaries Initiating Second-generation Long-acting Injectable Agents Versus Oral Atypical Antipsychotics.
Clinical therapeutics, , Volume: 39, Issue:10
2017
A Pilot Study of the Usefulness of a Single Olanzapine Plasma Concentration as an Indicator of Early Drug Effect in a Small Sample of First-Episode Psychosis Patients.
Journal of clinical psychopharmacology, , Volume: 37, Issue:5
2017
Efficacy and Tolerability of Asenapine Compared with Olanzapine in Borderline Personality Disorder: An Open-Label Randomized Controlled Trial.
CNS drugs, , Volume: 31, Issue:9
2017
Feasibility of olanzapine, multi acting receptor targeted antipsychotic agent, for the prevention of emesis caused by continuous cisplatin- or ifosfamide-based chemotherapy.
Investigational new drugs, , Volume: 36, Issue:1
2018
Algorithm-based pharmacotherapy for first-episode schizophrenia involuntarily hospitalized: A retrospective analysis of real-world practice.
Early intervention in psychiatry, , Volume: 13, Issue:1
2019
A pharmacodynamic modelling and simulation study identifying gender differences of daily olanzapine dose and dopamine D2-receptor occupancy.
Nordic journal of psychiatry, , Volume: 71, Issue:6
2017
Optimal Dosing of Risperidone and Olanzapine in the Maintenance Treatment for Patients With Schizophrenia and Related Psychotic Disorders: A Retrospective Multicenter Study.
Journal of clinical psychopharmacology, , Volume: 37, Issue:3
2017
A randomized, double-blind, comparison of the efficacy and safety of low-dose olanzapine plus low-dose trifluoperazine versus full-dose olanzapine in the acute treatment of schizophrenia.
Schizophrenia research, , Volume: 185
2017
Threshold of Dopamine D2/3 Receptor Occupancy for Hyperprolactinemia in Older Patients With Schizophrenia.
The Journal of clinical psychiatry, , Volume: 77, Issue:12
2016
Increasing Versus Maintaining the Dose of Olanzapine or Risperidone in Schizophrenia Patients Who Did Not Respond to a Modest Dosage: A Double-Blind Randomized Controlled Trial.
The Journal of clinical psychiatry, , Volume: 77, Issue:10
2016
Can lipid nanoparticles improve intestinal absorption?
International journal of pharmaceutics, , Dec-30, Volume: 515, Issue:1-2
2016
Olanzapine-depot administration induces time-dependent changes in adipose tissue endocrine function in rats.
Psychoneuroendocrinology, , Volume: 73
2016
Adverse Renal, Endocrine, Hepatic, and Metabolic Events during Maintenance Mood Stabilizer Treatment for Bipolar Disorder: A Population-Based Cohort Study.
PLoS medicine, , Volume: 13, Issue:8
2016
Comparison of Capillary and Venous Plasma Drug Concentrations After Repeated Administration of Risperidone, Paliperidone, Quetiapine, Olanzapine, or Aripiprazole.
Clinical pharmacology in drug development, , Volume: 5, Issue:6
2016
Role of moisture on the physical stability of polymorphic olanzapine.
International journal of pharmaceutics, , Jul-25, Volume: 509, Issue:1-2
2016
Dementia with Lewy bodies presenting marked tongue protrusion and bite due to lingual dystonia: A case report.
Rinsho shinkeigaku = Clinical neurology, , 06-22, Volume: 56, Issue:6
2016
Olanzapine for the prophylaxis and rescue of chemotherapy-induced nausea and vomiting (CINV): a retrospective study.
Annals of palliative medicine, , Volume: 5, Issue:3
2016
DEVELOPMENT OF OLANZAPINE LOADED PNA MICROGELS FOR DEPOT DRUG DELIVERY IN TREATMENT OF SCHIZOPHRENIA: IN VITRO AN IN VIVO RELEASE PROFILE.
Acta poloniae pharmaceutica, , Volume: 73, Issue:1
Application of Plasma Levels of Olanzapine and N-Desmethyl-Olanzapine to Monitor Clinical Efficacy in Patients with Schizophrenia.
PloS one, , Volume: 11, Issue:2
2016
Use of olanzapine for the relief of nausea and vomiting in patients with advanced cancer: a multicenter survey in Japan.
Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer, , Volume: 24, Issue:6
2016
A Flexible-Dose Study of Paliperidone ER in Patients With Nonacute Schizophrenia Previously Treated Unsuccessfully With Oral Olanzapine.
Journal of psychiatric practice, , Volume: 22, Issue:1
2016
Efficacy of olanzapine for the prophylaxis and rescue of chemotherapy-induced nausea and vomiting (CINV): a systematic review and meta-analysis.
Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer, , Volume: 24, Issue:5
2016
Cost-effectiveness Analysis of Aripiprazole Once-Monthly for the Treatment of Schizophrenia in the UK.
The journal of mental health policy and economics, , Volume: 18, Issue:4
2015
A Large Retrospective Cohort of Patients Receiving Intravenous Olanzapine in the Emergency Department.
Academic emergency medicine : official journal of the Society for Academic Emergency Medicine, , Volume: 23, Issue:1
2016
Therapeutic drug monitoring of second-generation antipsychotics in pediatric patients: an observational study in real-life settings.
European journal of clinical pharmacology, , Volume: 72, Issue:3
2016
Predicting Plasma Olanzapine Concentration Following a Change in Dosage: A Population Pharmacokinetic Study.
Pharmacopsychiatry, , Volume: 48, Issue:7
2015
Comparative teratogenicity analysis of valnoctamide, risperidone, and olanzapine in mice.
Bipolar disorders, , Volume: 17, Issue:6
2015
MK-801-induced deficits in social recognition in rats: reversal by aripiprazole, but not olanzapine, risperidone, or cannabidiol.
Behavioural pharmacology, , Volume: 26, Issue:8 Spec No
2015
Dopamine D2/3 Receptor Occupancy Following Dose Reduction Is Predictable With Minimal Plasma Antipsychotic Concentrations: An Open-Label Clinical Trial.
Schizophrenia bulletin, , Volume: 42, Issue:1
2016
Olanzapine as the ideal "trip terminator"? Analysis of online reports relating to antipsychotics' use and misuse following occurrence of novel psychoactive substance-related psychotic symptoms.
Human psychopharmacology, , Volume: 30, Issue:4
2015
Skating on thin ice: pragmatic prescribing for medication refractory schizophrenia.
BMC psychiatry, , Jul-25, Volume: 15
2015

Interactions (30)

ArticleYear
[Smoking cessation and drug interactions].
Ugeskrift for laeger, , 08-29, Volume: 184, Issue:35
2022
Clinical significance of potential drug-drug interactions in older adults with psychiatric disorders: a retrospective study.
BMC psychiatry, , 08-22, Volume: 22, Issue:1
2022
Multiple-day administration of fosaprepitant combined with tropisetron and olanzapine improves the prevention of nausea and vomiting in patients receiving chemotherapy prior to autologous hematopoietic stem cell transplant: a retrospective study.
Annals of hematology, , Volume: 101, Issue:8
2022
Study protocol for SPARED trial: randomised non-inferiority phase III trial comparing dexamethasone on day 1 with dexamethasone on days 1-4, combined with neurokinin-1 receptor antagonist, palonosetron and olanzapine (5 mg) in patients receiving cisplatin
BMJ open, , 12-17, Volume: 10, Issue:12
2020
Olanzapine combined with 5-hydroxytryptamine type 3 receptor antagonist (5-HT3 RA) plus dexamethasone for prevention and treatment of chemotherapy-induced nausea and vomiting in high and moderate emetogenic chemotherapy: a systematic review and meta-analy
ESMO open, , Volume: 5, Issue:1
2020
Efficacy and safety of 5 mg olanzapine combined with aprepitant, granisetron and dexamethasone to prevent carboplatin-induced nausea and vomiting in patients with gynecologic cancer: A multi-institution phase II study.
Gynecologic oncology, , Volume: 156, Issue:3
2020
Physiologically-Based Pharmacokinetic Modeling for Predicting Drug Interactions of a Combination of Olanzapine and Samidorphan.
CPT: pharmacometrics & systems pharmacology, , Volume: 9, Issue:2
2020
Efficacy of olanzapine, neurokinin-1 receptor antagonists, and thalidomide in combination with palonosetron plus dexamethasone in preventing highly emetogenic chemotherapy-induced nausea and vomiting: a Bayesian network meta-analysis.
Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer, , Volume: 28, Issue:3
2020
Efficacy and Safety of Asenapine Versus Olanzapine in Combination With Divalproex for Acute Mania: A Randomized Controlled Trial.
Journal of clinical psychopharmacology, , Volume: 39, Issue:4
A phase II trial of prophylactic olanzapine combined with palonosetron and dexamethasone for preventing nausea and vomiting induced by cisplatin.
Asia-Pacific journal of clinical oncology, , Volume: 12, Issue:3
2016
The effects in rats of lisdexamfetamine in combination with olanzapine on mesocorticolimbic dopamine efflux, striatal dopamine D2 receptor occupancy and stimulus generalization to a D-amphetamine cue.
Neuropharmacology, , Volume: 101
2016
Efficacy and safety of olanzapine combined with aprepitant, palonosetron, and dexamethasone for preventing nausea and vomiting induced by cisplatin-based chemotherapy in gynecological cancer: KCOG-G1301 phase II trial.
Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer, , Volume: 24, Issue:2
2016
Effectiveness of Olanzapine Combined with Ondansetron in Prevention of Chemotherapy-Induced Nausea and Vomiting of Non-small Cell Lung Cancer.
Cell biochemistry and biophysics, , Volume: 72, Issue:2
2015
Antidiabetic-drug combination treatment for glucose intolerance in adult female rats treated acutely with olanzapine.
Progress in neuro-psychopharmacology & biological psychiatry, , Jan-03, Volume: 48
2014
Drug-drug conditioning between citalopram and haloperidol or olanzapine in a conditioned avoidance response model: implications for polypharmacy in schizophrenia.
Behavioural pharmacology, , Volume: 23, Issue:7
2012
A case report on the relationship between treatment-resistant childhood-onset schizophrenia and an abnormally enlarged cavum septum pellucidum combined with cavum vergae.
Chinese medical journal, , Volume: 125, Issue:7
2012
An investigation of the behavioral mechanisms of antipsychotic action using a drug-drug conditioning paradigm.
Behavioural pharmacology, , Volume: 20, Issue:2
2009
Divalproex ER combined with olanzapine or risperidone for treatment of acute exacerbations of schizophrenia.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 34, Issue:5
2009
Drug interactions with smoking.
American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists, , Sep-15, Volume: 64, Issue:18
2007
Treatment with lithium, alone or in combination with olanzapine, relieves oxidative stress but increases atherogenic lipids in bipolar disorder.
The Tohoku journal of experimental medicine, , Volume: 213, Issue:1
2007
Sublingual use of olanzapine in combination with alprazolam to treat agitation in a terminally ill patient receiving parenteral nutrition.
European journal of cancer care, , Volume: 16, Issue:3
2007
Reduced suicidal ideation in bipolar I disorder mixed-episode patients in a placebo-controlled trial of olanzapine combined with lithium or divalproex.
The Journal of clinical psychiatry, , Volume: 67, Issue:8
2006
Pharmacological management of akathisia in combination with psychological interventions by a mental health nurse consultant.
Journal of psychiatric and mental health nursing, , Volume: 13, Issue:1
2006
Long-term weight gain in patients treated with open-label olanzapine in combination with fluoxetine for major depressive disorder.
The Journal of clinical psychiatry, , Volume: 66, Issue:11
2005
Transport of carbamazepine and drug interactions at blood-brain barrier.
Acta pharmacologica Sinica, , Volume: 27, Issue:2
2006
UDP-glucuronosyltransferases and clinical drug-drug interactions.
Pharmacology & therapeutics, , Volume: 106, Issue:1
2005
Efficacy of olanzapine combined with valproate or lithium in the treatment of dysphoric mania.
The British journal of psychiatry : the journal of mental science, , Volume: 185
2004
Effect of divalproex combined with olanzapine or risperidone in patients with an acute exacerbation of schizophrenia.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 28, Issue:1
2003
Efficacy of electroconvulsive therapy combined with antipsychotic medication in treatment-resistant schizophrenia: a prospective, open trial.
The journal of ECT, , Volume: 18, Issue:2
2002
Synergistic effects of olanzapine and other antipsychotic agents in combination with fluoxetine on norepinephrine and dopamine release in rat prefrontal cortex.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, , Volume: 23, Issue:3
2000