Compounds > histamine phosphate
Page last updated: 2024-09-23

histamine phosphate

Description

histamine phosphate : A phosphate salt that is the diphosphate salt of histamine. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID65513
CHEMBL ID3989520
CHEBI ID51193
SCHEMBL ID123245
MeSH IDM0089478

Synonyms (56)

Synonym
einecs 200-118-4
4-(2-aminoethyl)imidazole di-acid phosphate
histamine phosphate
4-(2-aminoethyl)imidazole bis(dihydrogen phosphate)
histamine biphosphate
histamine phosphate [usp]
histamine phosphate (1:2)
2-imidazol-4-ylethylamine orthophosphoric acid (1:2)
histamine diphosphate
histamine dihydrogen phosphate
histamine acid phosphate
1h-imidazole-4-ethanamine, phosphate (1:2)
histamine phosphate (tn)
D04445
51-74-1
histamine phosphate (usp)
H0147 ,
S4117
histamine positive
unii-qwb37t4wzz
qwb37t4wzz ,
FT-0631226
2-(1h-imidazol-4-yl)ethanamine bis(phosphate)
CHEBI:51193 ,
histamine phosphate [mi]
histamine phosphate [mart.]
histamine phosphate [orange book]
histamine phosphate [vandf]
histamine phosphate [ep impurity]
histamine phosphate [who-dd]
histamine phosphate [usp monograph]
SCHEMBL123245
DTXSID7058759
1h-imidazole-4-ethanamine phosphate (1:2)
W-105870
AC-24100
AKOS024462523
histamine diphosphate, 98%
mfcd00064316
bis(phosphoric acid)
CS-5789
HY-A0129
histamine (phosphate)
2-(1h-imidazol-4-yl)ethan-1-amine bis(phosphate)
histamine diphosphate salt
CHEMBL3989520
histamine phosphate,(s)
CCG-267542
2-(1h-imidazol-5-yl)ethanamine;phosphoric acid
D90807
histaminephosphate
BH166413
histamine phosphate (usp monograph)
histamine positiveskin test control
histamine phosphate (mart.)
histamine phosphate (ep impurity)

Roles (1)

RoleDescription
histamine agonistA drug that binds to and activates histamine receptors. Although they have been suggested for a variety of clinical applications, histamine agonists have so far been more widely used in research than therapeutically.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
phosphate salt
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Bioassays (2)

Assay IDTitleYearJournalArticle
AID1474166Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index2016Drug discovery today, Apr, Volume: 21, Issue:4
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1474167Liver toxicity in human assessed as induction of drug-induced liver injury by measuring verified drug-induced liver injury concern status2016Drug discovery today, Apr, Volume: 21, Issue:4
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (85)

TimeframeStudies, This Drug (%)All Drugs %
pre-199053 (62.35)18.7374
1990's20 (23.53)18.2507
2000's5 (5.88)29.6817
2010's6 (7.06)24.3611
2020's1 (1.18)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials13 (14.29%)5.53%
Reviews1 (1.10%)6.00%
Case Studies4 (4.40%)4.05%
Observational0 (0.00%)0.25%
Other73 (80.22%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (13)

Trial Overview

TrialPhaseEnrollmentStudy TypeStart DateStatus
A Phase I/II Trial of Peri- and Postoperative Treatment With Histamine Dihydrochloride and Low-dose Interleukin-2 in Patients With Primary Resectable Pancreatic Cancer[NCT05810792]Phase 250 participants (Anticipated)Interventional2024-04-01Not yet recruiting
Open-Label, Multicenter, Effects of Remission Maintenance Therapy With Ceplene® , Given in Conjunction With Low-Dose Interleukin-2, on Immune Response and Minimal Residual Disease in Adult Patients With AML in First Complete Remission[NCT01347996]Phase 484 participants (Actual)Interventional2009-07-31Completed
A Mechanistic Study on Morphine-induced Orthogonal Neural Plasticity for Itch and Pain Processing in Humans (a Relation of Morphine-induced Itch and Pain Processing)[NCT04115462]24 participants (Actual)Interventional2020-01-15Completed
In Vivo Functional Assessment of Histamine Pharmacodynamics in Children[NCT00809692]0 participants (Actual)Interventional2007-09-30Withdrawn(stopped due to Study withdrawn and combined with a new protocol)
Proton Pump Inhibitors and the Risk of Hospitalization for Community-acquired Pneumonia: Replicated Cohort Studies With Meta-analysis[NCT02555852]4,238,504 participants (Actual)Observational2011-09-30Completed
Dermal Blood Flow Response to Escalating Doses of Histamine, Administered by a Skin Prick[NCT04399213]13 participants (Actual)Interventional2019-01-15Completed
Multi-Center, Randomized Open-Label Study to Evaluate the Safety and Efficacy of Immunotherapy With Subcutaneous Maxamine (Histamine Dihydrochloride) Plus Proleukin (Interleukin-2) Versus No Treatment (Standard of Care) in Patients With Acute Myeloid Leuk[NCT00003991]Phase 3360 participants (Anticipated)Interventional1998-07-31Completed
A Phase III, Multi-Center Controlled Trial With Stratified Randomization Comparing The Efficacy Of Interleukin-2 (IL-2) Plus Histamine Dihydrochloride (HDC) Versus IL-2 Alone To Increase The Duration Of Survival In Patients With AJCC Stage IV Malignant Me[NCT00039234]Phase 30 participants Interventional2002-09-30Active, not recruiting
Détermination de la réactivité cutanée de Volontaires Allergiques au Pollen de Bouleau Contre Des Peptides dérivés de Bet v 1[NCT01719133]Phase 120 participants (Actual)Interventional2008-02-29Completed
Immunologic Profile of Chronically Photodamaged Skin[NCT02889159]Phase 440 participants (Anticipated)Interventional2016-06-06Recruiting
A Randomized Phase II Study to Evaluate the Efficacy of Combined Immunotherapy With Subcutaneous Interleukin-2 and Maxamine in Patients With Metastatic Renal Cell Carcinoma[NCT00005038]Phase 20 participants Interventional1999-06-30Active, not recruiting
A Phase I/II, Open-Label, Multicenter Study of the Safety, Efficacy and Immune Response of Histamine Dihydrochloride and Low-dose Interleukin-2 in Chronic Myelomonocytic Leukemia (CMML)[NCT03040401]Phase 1/Phase 215 participants (Anticipated)Interventional2017-02-15Recruiting
Clinical Study to Assess Efficacy, Safety, Tolerability and Optimal Dose Ranging of XC8 in Doses 20, 100 and 200 mg Once Daily in Patients With Uncomplicated Influenza or Other Acute Respiratory Viral Infections (ARVI)[NCT03441373]Phase 2/Phase 3320 participants (Actual)Interventional2016-02-03Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
betaine[no description available]medium10amino-acid betaine;
glycine derivative		fundamental metabolite
bupropion[no description available]medium10aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
aminocaproic acid[no description available]medium10amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
niacin[no description available]medium10pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
pyridoxine[no description available]medium10hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thiamine[no description available]medium10primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
phenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acebutolol[no description available]medium10aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen[no description available]medium10acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohydroxamic acid[no description available]medium10acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
alaproclate[no description available]medium10alpha-amino acid ester
albendazole[no description available]medium10aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
albuterol[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alendronate[no description available]medium101,1-bis(phosphonic acid);
primary amino compound		bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alfuzosin[no description available]medium10monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
alosetron[no description available]medium10imidazoles;
pyridoindole		antiemetic;
gastrointestinal drug;
serotonergic antagonist
alprazolam[no description available]medium10organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
altretamine[no description available]medium10triamino-1,3,5-triazine
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ambenonium[no description available]medium10quaternary ammonium ionEC 3.1.1.8 (cholinesterase) inhibitor
diatrizoic acid[no description available]medium10acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
amifostine anhydrous[no description available]medium10diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent
p-aminohippuric acid[no description available]medium10N-acylglycineDaphnia magna metabolite
theophylline[no description available]medium10dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodarone[no description available]medium101-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amitriptyline[no description available]medium10carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amlodipine[no description available]medium10dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
amoxapine[no description available]medium10dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
anastrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
aspirin[no description available]medium20benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
atenolol[no description available]medium10ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine[no description available]medium10aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
bendazac[no description available]medium10indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger
bendroflumethiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
betaxolol[no description available]medium10propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bethanechol[no description available]medium10carbamate ester;
quaternary ammonium ion		muscarinic agonist
bicalutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
biperiden[no description available]medium10piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bisacodyl[no description available]medium10diarylmethane
bisoprolol[no description available]medium10secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bumetanide[no description available]medium10amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
buspirone[no description available]medium10azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
busulfan[no description available]medium10methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
secbutabarbital[no description available]medium10barbiturates
caffeine[no description available]medium10purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
verapamil[no description available]medium10aromatic ether;
nitrile;
polyether;
tertiary amino compound
candesartan[no description available]medium10benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
carbamazepine[no description available]medium10dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
carbinoxamine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
carisoprodol[no description available]medium10carbamate estermuscle relaxant
carvedilol[no description available]medium10carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
celecoxib[no description available]medium10organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cetirizine[no description available]medium20ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
cetirizine[no description available]medium21ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
chlorambucil[no description available]medium10aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlorcyclizine[no description available]medium10diarylmethane
chlordiazepoxide[no description available]medium10benzodiazepine
chlormezanone[no description available]medium101,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant
chloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
chlorpheniramine[no description available]medium30monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpheniramine[no description available]medium31monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine[no description available]medium10organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorpropamide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorthalidone[no description available]medium10isoindoles;
monochlorobenzenes;
sulfonamide
chlorzoxazone[no description available]medium101,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
cilostazol[no description available]medium10lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
cimetidine[no description available]medium40aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
ciprofloxacin[no description available]medium10aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
citalopram[no description available]medium102-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clofibrate[no description available]medium10aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clomiphene[no description available]medium10tertiary amineestrogen antagonist;
estrogen receptor modulator
clomipramine[no description available]medium10dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clonazepam[no description available]medium101,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator
clonidine[no description available]medium20clonidine;
imidazoline
chlorazepate[no description available]medium101,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
clotrimazole[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
cyclobenzaprine[no description available]medium10carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
cyclofenil[no description available]medium10organic molecular entity
cyproheptadine[no description available]medium20piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
cyproheptadine[no description available]medium21piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
dapsone[no description available]medium10substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
deferoxamine[no description available]medium10acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
desipramine[no description available]medium10dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
amphetamine[no description available]medium10primary amine
diazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazoxide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
diclofenac[no description available]medium10amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
dichlorphenamide[no description available]medium10dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
dicyclomine[no description available]medium10carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
pentetic acid[no description available]medium10pentacarboxylic acidcopper chelator
diflunisal[no description available]medium10monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dimercaprol[no description available]medium10dithiol;
primary alcohol		chelator
diphenhydramine[no description available]medium10ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
dipyridamole[no description available]medium10piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disopyramide[no description available]medium10monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium10organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
valproic acid[no description available]medium10branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
donepezil[no description available]medium10aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
doxapram[no description available]medium10morpholines;
pyrrolidin-2-ones		central nervous system stimulant
doxazosin[no description available]medium10aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
doxepin[no description available]medium10dibenzooxepine;
tertiary amino compound		antidepressant
doxylamine[no description available]medium10pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
dyphylline[no description available]medium10oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
edrophonium[no description available]medium10phenols;
quaternary ammonium ion		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
estazolam[no description available]medium10triazoles;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA modulator
ethacrynic acid[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
ethosuximide[no description available]medium10dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
ethotoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
etidronate[no description available]medium101,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
etodolac[no description available]medium10monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
brl 42810[no description available]medium102-aminopurines;
acetate ester		antiviral drug;
prodrug
felbamate[no description available]medium10carbamate esteranticonvulsant;
neuroprotective agent
felodipine[no description available]medium10dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fenofibrate[no description available]medium10aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fenoldopam[no description available]medium10benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
fenoprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fexofenadine[no description available]medium20piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
fexofenadine[no description available]medium21piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
fipexide[no description available]medium10benzodioxoles
flavoxate[no description available]medium10carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
flecainide[no description available]medium10aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flucytosine[no description available]medium10aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
fluphenazine[no description available]medium10N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
flumazenil[no description available]medium10ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
fluorescite[no description available]medium10benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
fluorouracil[no description available]medium10nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flurazepam[no description available]medium101,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound		anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative
flurbiprofen[no description available]medium20fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
fomepizole[no description available]medium10pyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
foscarnet[no description available]medium10carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
furosemide[no description available]medium10chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gabapentin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
glafenine[no description available]medium10aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
glimepiride[no description available]medium10sulfonamide
glipizide[no description available]medium10aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
glyburide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester[no description available]medium10benzenes
granisetron[no description available]medium10aromatic amide;
indazoles
guaifenesin[no description available]medium10methoxybenzenes
guanethidine[no description available]medium10azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
guanfacine[no description available]medium10acetamides
guanidine[no description available]medium10carboxamidine;
guanidines;
one-carbon compound
haloperidol[no description available]medium10aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
hydralazine[no description available]medium10azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
hydrochlorothiazide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroflumethiazide[no description available]medium10benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
hydroxychloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
hydroxyurea[no description available]medium10one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzine[no description available]medium20hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
hydroxyzine[no description available]medium21hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ibuprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
phenelzine[no description available]medium10primary amine
lidocaine[no description available]medium10benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
ifosfamide[no description available]medium10ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone[no description available]medium10bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium10indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
indomethacin[no description available]medium20aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
indomethacin[no description available]medium21aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
ioversol[no description available]medium10amidobenzoic acid
iproniazid[no description available]medium10carbohydrazide;
pyridines
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isocarboxazid[no description available]medium10benzenes
isoniazid[no description available]medium10carbohydrazideantitubercular agent;
drug allergen
isoproterenol[no description available]medium20catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
isoxsuprine[no description available]medium10alkylbenzene
isradipine[no description available]medium10benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium10piperazines
ketamine[no description available]medium10cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen[no description available]medium10benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
ketorolac[no description available]medium10amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
labetalol[no description available]medium10benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lamotrigine[no description available]medium101,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lansoprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
leflunomide[no description available]medium10(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
letrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
lomefloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antimicrobial agent;
antitubercular agent;
photosensitizing agent
lomustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
loperamide[no description available]medium10monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
loratadine[no description available]medium20benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
loratadine[no description available]medium21benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
lorazepam[no description available]medium10benzodiazepine
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
loxapine[no description available]medium10dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
maprotiline[no description available]medium10anthracenes
mebendazole[no description available]medium10aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
mecamylamine[no description available]medium10primary aliphatic amine
mechlorethamine[no description available]medium10nitrogen mustard;
organochlorine compound		alkylating agent
meclizine[no description available]medium10diarylmethane
meclofenamic acid[no description available]medium10aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
mefenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
memantine[no description available]medium10adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
mepenzolate[no description available]medium10diarylmethane
meperidine[no description available]medium10ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mephenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
mepivacaine[no description available]medium10piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium10organic molecular entity
mesalamine[no description available]medium10amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
mesoridazine[no description available]medium10phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
metaproterenol[no description available]medium10aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
metformin[no description available]medium10guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methadone[no description available]medium10benzenes;
diarylmethane;
ketone;
tertiary amino compound
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
methoxsalen[no description available]medium10aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
methyclothiazide[no description available]medium10benzothiadiazine
methylphenidate[no description available]medium10beta-amino acid ester;
methyl ester;
piperidines
metoclopramide[no description available]medium10benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metolazone[no description available]medium10organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
metoprolol[no description available]medium10aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]medium10C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
metyrapone[no description available]medium10aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mexiletine[no description available]medium10aromatic ether;
primary amino compound		anti-arrhythmia drug
midazolam[no description available]medium10imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
midodrine[no description available]medium10amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
milrinone[no description available]medium10bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
minoxidil[no description available]medium10dialkylarylamine;
tertiary amino compound
mirtazapine[no description available]medium10benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
mitotane[no description available]medium10diarylmethane
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
modafinil[no description available]medium10monocarboxylic acid amide;
sulfoxide
moxisylyte[no description available]medium10monoterpenoid
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nadolol[no description available]medium10tetralins
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
naratriptan[no description available]medium10heteroarylpiperidine;
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
nefazodone[no description available]medium10aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nialamide[no description available]medium10organonitrogen compound;
organooxygen compound
nicardipine[no description available]medium10benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nifedipine[no description available]medium10C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nilutamide[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nimesulide[no description available]medium10aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nimodipine[no description available]medium102-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nisoldipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nitroglycerin[no description available]medium10nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
nizatidine[no description available]medium101,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
nomifensine[no description available]medium10isoquinolinesdopamine uptake inhibitor
norfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
nortriptyline[no description available]medium10organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ofloxacin[no description available]medium103-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetron[no description available]medium10carbazoles
orphenadrine[no description available]medium10ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxaprozin[no description available]medium101,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxybutynin[no description available]medium10acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
aminosalicylic acid[no description available]medium10aminobenzoic acid;
phenols		antitubercular agent
pamidronate[no description available]medium10phosphonoacetic acid
pantoprazole[no description available]medium10aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
papaverine[no description available]medium20benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
pemoline[no description available]medium101,3-oxazolescentral nervous system stimulant
pentamidine[no description available]medium10aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
pentobarbital[no description available]medium10barbituratesGABAA receptor agonist
pentoxifylline[no description available]medium10oxopurine
perhexiline[no description available]medium10piperidinescardiovascular drug
perphenazine[no description available]medium10N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenobarbital[no description available]medium10barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenoxybenzamine[no description available]medium10aromatic amine
phentermine[no description available]medium10primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
4-phenylbutyric acid[no description available]medium10monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
pindolol[no description available]medium10indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
pioglitazone[no description available]medium10aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
polythiazide[no description available]medium10benzothiadiazine
duodote[no description available]medium10pyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
praziquantel[no description available]medium10isoquinolines
prazosin[no description available]medium20aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine[no description available]medium10aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
primidone[no description available]medium10pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
probenecid[no description available]medium10benzoic acids;
sulfonamide		uricosuric drug
procainamide[no description available]medium10benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procarbazine[no description available]medium10benzamides;
hydrazines		antineoplastic agent
prochlorperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
procyclidine[no description available]medium10pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propafenone[no description available]medium10aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
propantheline[no description available]medium10xanthenes
propofol[no description available]medium20phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranolol[no description available]medium10naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
protriptyline[no description available]medium10carbotricyclic compoundantidepressant
pyridostigmine[no description available]medium10pyridinium ion
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
sch 16134[no description available]medium10benzodiazepine
quetiapine[no description available]medium10dibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine		adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
rabeprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
raloxifene[no description available]medium101-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
riluzole[no description available]medium10benzothiazoles
rimantadine[no description available]medium10alkylamine
risperidone[no description available]medium101,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
rizatriptan[no description available]medium10tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
ropinirole[no description available]medium10indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
salicylsalicylic acid[no description available]medium10benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
secobarbital[no description available]medium10barbituratesanaesthesia adjuvant;
GABA modulator;
sedative
sibutramine[no description available]medium10organochlorine compound;
tertiary amino compound		anti-obesity agent;
serotonin uptake inhibitor
sulfadiazine[no description available]medium10pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
risedronic acid[no description available]medium10pyridines
sotalol[no description available]medium10ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
vorinostat[no description available]medium10dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
succinylcholine[no description available]medium10quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent
sulfamethizole[no description available]medium10sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfasalazine[no description available]medium10
sulfathiazole[no description available]medium101,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium10alkylbenzene
sumatriptan[no description available]medium10sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
temazepam[no description available]medium10benzodiazepine
temozolomide[no description available]medium10imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terazosin[no description available]medium10furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terbutaline[no description available]medium10phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
thalidomide[no description available]medium10phthalimides;
piperidones
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
thioridazine[no description available]medium10phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
thiotepa[no description available]medium10aziridines
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tinidazole[no description available]medium10imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tiopronin[no description available]medium10N-acyl-amino acid
tizanidine[no description available]medium10benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
tolazamide[no description available]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium10N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolmetin[no description available]medium10aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
ultram[no description available]medium10aromatic ether;
tertiary alcohol;
tertiary amino compound
tranexamic acid[no description available]medium10amino acid
trazodone[no description available]medium10monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triamterene[no description available]medium20pteridinesdiuretic;
sodium channel blocker
triazolam[no description available]medium10triazolobenzodiazepinesedative
trifluoperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
trihexyphenidyl[no description available]medium10amine
trimethadione[no description available]medium10oxazolidinoneanticonvulsant;
geroprotector
trimethobenzamide[no description available]medium10benzamides;
tertiary amino compound		antiemetic
trimethoprim[no description available]medium10aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
trimetrexate[no description available]medium10
trimipramine[no description available]medium10dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
troglitazone[no description available]medium10chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
tyramine[no description available]medium10monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
delavirdine[no description available]medium10aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor
venlafaxine[no description available]medium10cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
vigabatrin[no description available]medium10gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219[no description available]medium20carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
ici 204,219[no description available]medium21carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zaleplon[no description available]medium10nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
zolpidem[no description available]medium10imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zonisamide[no description available]medium101,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
cortisone acetate[no description available]medium10corticosteroid hormone
mitomycin[no description available]medium10mitomycinalkylating agent;
antineoplastic agent
prednisolone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
reserpine[no description available]medium10alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
phentolamine[no description available]medium10imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
sorbitol[no description available]medium10glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
thyroxine[no description available]medium102-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
dextroamphetamine[no description available]medium201-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
spironolactone[no description available]medium103-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
cysteine[no description available]medium10cysteine zwitterion;
cysteine;
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid		EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
flour treatment agent;
human metabolite
prednisone[no description available]medium2011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
estrone[no description available]medium1017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
oxandrolone[no description available]medium1017beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid		anabolic agent;
androgen
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
pilocarpine[no description available]medium10pilocarpineantiglaucoma drug
triiodothyronine[no description available]medium102-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
chloramphenicol[no description available]medium10C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
glutamine[no description available]medium10amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
vincristine[no description available]medium10acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
physostigmine[no description available]medium10carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
methyltestosterone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
tetrabenazine[no description available]medium10benzoquinolizine;
cyclic ketone;
tertiary amino compound
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
edetic acid[no description available]medium10ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
cysteamine[no description available]medium10amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
acetylcholine chloride[no description available]medium10quaternary ammonium salt
mepazine[no description available]medium10phenothiazines
cloxacillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
calcium acetate[no description available]medium10calcium saltchelator
methionine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
mebanazine[no description available]medium10benzenes
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
benziodarone[no description available]medium10aromatic ketone
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
mannitol[no description available]medium10mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
cytarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
arginine[no description available]medium20arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
perflutren[no description available]medium10fluoroalkane;
fluorocarbon
fluoxymesterone[no description available]medium1011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid		anabolic agent;
antineoplastic agent
methsuximide[no description available]medium10organic molecular entity
tromethamine[no description available]medium10primary amino compound;
triol		buffer
methylprednisolone[no description available]medium106-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
brompheniramine[no description available]medium10organobromine compound;
pyridines		anti-allergic agent;
H1-receptor antagonist
penicillin v[no description available]medium10penicillin allergen;
penicillin
isosorbide dinitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
pseudoephedrine[no description available]medium10phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
diethylpropion[no description available]medium10aromatic ketone;
tertiary amine		appetite depressant
benzonatate[no description available]medium10benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive
methylergonovine[no description available]medium10ergoline alkaloid
cinchophen[no description available]medium10quinolines
nafcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
methohexital[no description available]medium10acetylenic compound;
barbiturates		drug allergen;
intravenous anaesthetic
ephedrine[no description available]medium10phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
aminophylline[no description available]medium20mixturebronchodilator agent;
cardiotonic drug
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
galantamine[no description available]medium10benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
nandrolone decanoate[no description available]medium10steroid ester
dextropropoxyphene[no description available]medium101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
chenodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
4-hydroxybutyric acid[no description available]medium104-hydroxy monocarboxylic acid;
hydroxybutyric acid		general anaesthetic;
GHB receptor agonist;
neurotoxin;
sedative
dihydroergotamine[no description available]medium10ergot alkaloid;
semisynthetic derivative		dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
medroxyprogesterone[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive
dimenhydrinate[no description available]medium10diarylmethane
methamphetamine[no description available]medium10amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
levocarnitine[no description available]medium10carnitineantilipemic drug;
nootropic agent;
nutraceutical;
Saccharomyces cerevisiae metabolite;
water-soluble vitamin (role)
sulfanilylurea[no description available]medium10benzenes;
sulfonamide
lactulose[no description available]medium10glycosylfructosegastrointestinal drug;
laxative
pamabrom[no description available]medium10
acetylcysteine[no description available]medium10acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
erythromycin[no description available]medium10cyclic ketone;
erythromycin
levonorgestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
diphenoxylate[no description available]medium10ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine		antidiarrhoeal drug
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
vancomycin[no description available]medium10glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
d-alpha tocopherol[no description available]medium10alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
ibufenac[no description available]medium10monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
metaxalone[no description available]medium10aromatic ether
spectinomycin[no description available]medium10cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
dronabinol[no description available]medium10benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
amiloride[no description available]medium10aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
pimozide[no description available]medium10benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
dexbrompheniramine[no description available]medium10brompheniramineanti-allergic agent;
H1-receptor antagonist
stavudine[no description available]medium10dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
dicloxacillin[no description available]medium10dichlorobenzene;
penicillin		antibacterial drug
megestrol[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
streptomycin[no description available]medium10antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
cladribine[no description available]medium10organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
carbenicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
clomacran[no description available]medium10acridines
methenamine hippurate[no description available]medium10N-acylglycine
olsalazine[no description available]medium10azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
sodium thiosulfate[no description available]medium10inorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
clemastine[no description available]medium10monochlorobenzenes;
N-alkylpyrrolidine		anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
cephalexin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
danazol[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
fenclozic acid[no description available]medium10
laxagetten 4,4'-diacetoxydiphenylpyridylemethane[no description available]medium10
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
alclofenac[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bromocriptine[no description available]medium10indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
oxyphenisatin[no description available]medium10indoles
fludrocortisone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
fluorinated steroid;
mineralocorticoid		adrenergic agent;
anti-inflammatory drug
ursodeoxycholic acid[no description available]medium10bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
dexchlorpheniramine[no description available]medium10chlorphenamine
clometacin[no description available]medium10N-acylindole
cefazolin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
amoxicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium10timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
oxcarbazepine[no description available]medium10cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
carbidopa[no description available]medium10catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
moricizine[no description available]medium10carbamate ester;
morpholines;
phenothiazines		anti-arrhythmia drug
amineptin[no description available]medium10amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
pirprofen[no description available]medium10pyrroline
paclitaxel[no description available]medium10taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
dobutamine[no description available]medium10catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
penbutolol[no description available]medium10ethanolamines
ribavirin[no description available]medium101-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin[no description available]medium10alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
ticrynafen[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
methyldopa[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
diltiazem[no description available]medium105-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
vecuronium[no description available]medium10acetate ester;
androstane;
quaternary ammonium ion		drug allergen;
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
benoxaprofen[no description available]medium101,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
exifone[no description available]medium10benzophenones
mefloquine[no description available]medium10[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
nitazoxanide[no description available]medium10benzamides;
carboxylic ester
sufentanil[no description available]medium10anilide;
ether;
piperidines;
thiophenes		anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
acarbose[no description available]medium10tetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
torsemide[no description available]medium10aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
epirubicin[no description available]medium10aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
idarubicin[no description available]medium10anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
paroxetine[no description available]medium10aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
captopril[no description available]medium10alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone[no description available]medium10cephalosporinantibacterial drug
atracurium[no description available]medium10diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
pergolide[no description available]medium10diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist
cefadroxil anhydrous[no description available]medium10cephalosporinantibacterial drug
fialuridine[no description available]medium10
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
alfentanil[no description available]medium10monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
miglustat[no description available]medium10piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
haloperidol decanoate[no description available]medium10organic molecular entity
cefotetan[no description available]medium10
lovastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
tolrestat[no description available]medium10naphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor
simvastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
balsalazide[no description available]medium10
pravastatin[no description available]medium103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
cabergoline[no description available]medium10N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
atomoxetine[no description available]medium10aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
quinapril[no description available]medium10dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
alpidem[no description available]medium10imidazoles
mifepristone[no description available]medium103-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
fosphenytoin[no description available]medium10imidazolidine-2,4-dione
ranolazine[no description available]medium10aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol
finasteride[no description available]medium103-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
esmolol[no description available]medium10aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
adefovir[no description available]medium106-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
aromasil[no description available]medium1017-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
zileuton[no description available]medium101-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
clopidogrel[no description available]medium10methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
cidofovir anhydrous[no description available]medium10phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
tiagabine[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
topotecan[no description available]medium10pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
bromfenac[no description available]medium10aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gemcitabine[no description available]medium10organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
ibutilide[no description available]medium10benzenes;
organic amino compound
aripiprazole[no description available]medium10aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
remifentanil[no description available]medium10alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester		intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative
atorvastatin[no description available]medium10aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
lamivudine[no description available]medium10monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
duloxetine[no description available]medium10duloxetine
irinotecan[no description available]medium10carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
valsartan[no description available]medium10biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
ibandronic acid[no description available]medium10
ziprasidone[no description available]medium101,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
zolmitriptan[no description available]medium10oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
emtricitabine[no description available]medium10monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor
tasosartan[no description available]medium10biphenyls
tiludronic acid[no description available]medium10organochlorine compound
tirofiban[no description available]medium10L-tyrosine derivative;
piperidines;
sulfonamide		anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
capecitabine[no description available]medium10carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug
adenosine[no description available]medium10adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
trovafloxacin[no description available]medium10
cefprozil[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
efavirenz[no description available]medium10acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium10aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
fenofibric acid[no description available]medium10aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic metabolite
plerixafor[no description available]medium10azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
oseltamivir[no description available]medium10acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
tilbroquinol[no description available]medium10organohalogen compound;
quinolines
bendamustine[no description available]medium10benzimidazoles
droxicam[no description available]medium10organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug
ebrotidine[no description available]medium10sulfonamide
repaglinide[no description available]medium10piperidines
telmisartan[no description available]medium10benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
sertraline[no description available]medium10dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
acamprosate[no description available]medium10acetamides;
organosulfonic acid		environmental contaminant;
neurotransmitter agent;
xenobiotic
isaxonine[no description available]medium10aminopyrimidine
nebivolol[no description available]medium10chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
uk 68798[no description available]medium10aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
hp 873[no description available]medium101,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
dexrazoxane[no description available]medium10razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
fenoxypropazine[no description available]medium10aromatic ether
voriconazole[no description available]medium10conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
aceclofenac[no description available]medium10amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
nitrefazole[no description available]medium10imidazoles
doripenem[no description available]medium10carbapenems
atovaquone[no description available]medium10hydroxy-1,2-naphthoquinone
rivastigmine[no description available]medium10carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
frovatriptan[no description available]medium10carbazoles
eletriptan[no description available]medium10indoles;
N-alkylpyrrolidine;
sulfone		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
rosiglitazone[no description available]medium10aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
bexarotene[no description available]medium10benzoic acids;
naphthalenes;
retinoid		antineoplastic agent
clarithromycin[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
moexipril[no description available]medium10peptide
mci 9038[no description available]medium10peptide
fulvestrant[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
perindopril[no description available]medium10alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
tadalafil[no description available]medium10benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
paliperidone[no description available]medium101,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
nitisinone[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione		EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
clofarabine[no description available]medium10adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
pramipexole[no description available]medium10benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
valdecoxib[no description available]medium10isoxazoles;
sulfonamide		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
almotriptan[no description available]medium10indoles;
sulfonamide;
tertiary amine		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
gefitinib[no description available]medium10aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
desvenlafaxine[no description available]medium10cyclohexanols;
phenols;
tertiary amino compound		antidepressant;
drug metabolite;
marine xenobiotic metabolite
methotrexate[no description available]medium10dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
tamsulosin[no description available]medium105-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
rufinamide[no description available]medium10aromatic amide;
heteroarene
olmesartan medoxomil[no description available]medium10biphenyls
dexpanthenol[no description available]medium10amino alcohol;
monocarboxylic acid amide		cholinergic drug;
provitamin
fosamprenavir[no description available]medium10sulfonamideprodrug
febuxostat[no description available]medium101,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
escitalopram[no description available]medium101-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileantidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
10-propargyl-10-deazaaminopterin[no description available]medium10N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel anhydrous[no description available]medium10secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
atazanavir[no description available]medium10carbohydrazideantiviral drug;
HIV protease inhibitor
levofloxacin[no description available]medium109-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
ezetimibe[no description available]medium10azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
ertapenem[no description available]medium10carbapenemcarboxylic acid;
pyrrolidinecarboxamide		antibacterial drug
cox 189[no description available]medium10amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
conivaptan[no description available]medium10benzazepineaquaretic;
vasopressin receptor antagonist
moxifloxacin[no description available]medium10aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
pralnacasan[no description available]medium10
clevidipine[no description available]medium10dihydropyridine
solifenacin[no description available]medium10isoquinolines
dexmethylphenidate[no description available]medium10methyl phenyl(piperidin-2-yl)acetateadrenergic agent
naproxen[no description available]medium10methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
cinacalcet[no description available]medium10(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound		calcimimetic;
P450 inhibitor
lubiprostone[no description available]medium10
telbivudine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
paromomycin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
anidulafungin[no description available]medium10antibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative
17 alpha-hydroxyprogesterone caproate[no description available]medium10corticosteroid hormone
varenicline[no description available]medium10
fiduxosin[no description available]medium10
atropine[no description available]medium10
erlotinib[no description available]medium10aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
etravirine[no description available]medium10aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
dronedarone[no description available]medium101-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
ramelteon[no description available]medium10indanes
lapatinib[no description available]medium10furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
darunavir[no description available]medium10carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
deferasirox[no description available]medium10benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
tbc-11251[no description available]medium10benzodioxoles
tolvaptan[no description available]medium10benzazepine;
benzenedicarboxamide		aquaretic;
vasopressin receptor antagonist
sorafenib[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
lenalidomide[no description available]medium10aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
regadenoson[no description available]medium10purine nucleoside
lacosamide[no description available]medium10N-acyl-amino acid
vincaleukoblastine[no description available]medium10acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
benzarone[no description available]medium101-benzofurans
estramustine[no description available]medium1017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
ritonavir[no description available]medium101,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
oxytocin[no description available]medium10heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
pentostatin[no description available]medium10coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
quinidine[no description available]medium10cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
meropenem[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
griseofulvin[no description available]medium101-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
cefoxitin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
saquinavir[no description available]medium10L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
pancuronium[no description available]medium10acetate ester;
steroid ester		cholinergic antagonist;
muscle relaxant;
nicotinic antagonist
abacavir[no description available]medium102,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
miglitol[no description available]medium10piperidines
metyrosine[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
clindamycin phosphate[no description available]medium10
eplerenone[no description available]medium103-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester		aldosterone antagonist;
antihypertensive agent
tolterodine[no description available]medium10tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
darifenacin[no description available]medium101-benzofurans;
monocarboxylic acid amide;
pyrrolidines		antispasmodic drug;
muscarinic antagonist
tretinoin[no description available]medium10retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
retinol[no description available]medium10retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
tacrolimus[no description available]medium10macrolide lactambacterial metabolite;
immunosuppressive agent
rosuvastatin[no description available]medium10dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
mycophenolic acid[no description available]medium102-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
clindamycin[no description available]medium10
fosfomycin[no description available]medium10epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
octreotide[no description available]medium10
eptifibatide[no description available]medium10homodetic cyclic peptide;
macrocycle;
organic disulfide		anticoagulant;
platelet aggregation inhibitor
decitabine[no description available]medium102'-deoxyribonucleoside
teniposide[no description available]medium10aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
dactinomycin[no description available]medium10actinomycinmutagen
melphalan[no description available]medium10L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
micafungin[no description available]medium10antibiotic antifungal drug;
echinocandin		antiinfective agent
riboflavin[no description available]medium10flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
sodium bicarbonate[no description available]medium10one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
arsenic trioxide[no description available]medium10arsenic oxideantineoplastic agent;
insecticide
sr 90107[no description available]medium10
meglumine iodipamide[no description available]medium10organoammonium saltradioopaque medium
thyrotropin-releasing hormone[no description available]medium10peptide hormone;
tripeptide		human metabolite
arginine vasopressin[no description available]medium10vasopressincardiovascular drug;
hematologic agent;
mitogen
s 1033[no description available]medium10(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
propylthiouracil[no description available]medium10pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
etomidate[no description available]medium10ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
pyrantel[no description available]medium101,4,5,6-tetrahydropyrimidines;
carboxamidine;
thiophenes		antinematodal drug
thiothixene[no description available]medium10N-methylpiperazineanticoronaviral agent
eszopiclone[no description available]medium10zopiclonecentral nervous system depressant;
sedative
benztropine[no description available]medium10diarylmethane
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
sulindac[no description available]medium10monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
terbinafine[no description available]medium10acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
succimer[no description available]medium10dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid		chelator
digoxin[no description available]medium10cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
streptozocin[no description available]medium10
tamoxifen[no description available]medium10stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
ethionamide[no description available]medium10pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
cancidas[no description available]medium10
lincomycin[no description available]medium10carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
ranitidine[no description available]medium20C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
ranitidine[no description available]medium21C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
aplaviroc[no description available]medium10
hmr 3647[no description available]medium10
maraviroc[no description available]medium10tropane alkaloid
toremifene[no description available]medium10aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
nelarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
dermatan sulfate[no description available]medium10amino disaccharide;
glycosylgalactose derivative;
iduronic acids;
oligosaccharide sulfate
dolasetron[no description available]medium10indolyl carboxylic acid
orlistat[no description available]medium10beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
quinine[no description available]medium10cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
fospropofol[no description available]medium10alkylbenzene
rasagiline[no description available]medium10indanes;
secondary amine;
terminal acetylenic compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent
dasatinib[no description available]medium101,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
sitagliptin[no description available]medium10triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
tolcapone[no description available]medium102-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
calcitriol[no description available]medium10D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
vitamin d 2[no description available]medium10hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
pulmicort[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen
oxymetholone[no description available]medium10
eprosartan[no description available]medium10dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
montelukast[no description available]medium20aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
montelukast[no description available]medium21aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
mivacurium[no description available]medium20isoquinolines
mivacurium[no description available]medium21isoquinolines
hemabate[no description available]medium10
mycophenolate mofetil[no description available]medium10carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacapone[no description available]medium102-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
paricalcitol[no description available]medium10hydroxy seco-steroid;
seco-cholestane		antiparathyroid drug
7432 s[no description available]medium10cephalosporin;
dicarboxylic acid		antibacterial drug
isotretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
epoprostenol[no description available]medium10prostaglandins Imouse metabolite
indocyanine green[no description available]medium101,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
triprolidine[no description available]medium10N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
pitavastatin[no description available]medium10cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant
ethamolin[no description available]medium10long-chain fatty acid
alatrofloxacin mesylate[no description available]medium10
codeine[no description available]medium30morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
cyclosporine[no description available]medium10homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
acitretin[no description available]medium10acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
estropipate[no description available]medium10piperazinium salt;
steroid sulfate
hydromorphone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic
levetiracetam[no description available]medium10pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
ly 163892[no description available]medium10carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
nabilone[no description available]medium10
naloxone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxycodone[no description available]medium10organic heteropentacyclic compound;
semisynthetic derivative		antitussive;
mu-opioid receptor agonist;
opioid analgesic
oxymorphone[no description available]medium10morphinane alkaloid
vitamin k 1[no description available]medium10phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite
sirolimus[no description available]medium10antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
trospium chloride[no description available]medium10
morphine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
benzphetamine[no description available]medium10amphetamines;
tertiary amine		adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent
deamino arginine vasopressin[no description available]medium10heterodetic cyclic peptidediagnostic agent;
renal agent;
vasopressin receptor agonist
dexmedetomidine[no description available]medium10medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
goserelin[no description available]medium10organic molecular entity
nalbuphine[no description available]medium10organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
nateglinide[no description available]medium10phenylalanine derivative
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
silodosin[no description available]medium10indolecarboxamide
fluvoxamine[no description available]medium10(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
su 11248[no description available]medium10monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium10dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
levorphanol[no description available]medium10morphinane alkaloid
naltrexone[no description available]medium10cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
dextromethorphan[no description available]medium106-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
butorphanol[no description available]medium10morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
cefixime[no description available]medium10cephalosporinantibacterial drug;
drug allergen
lisinopril[no description available]medium10dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril[no description available]medium10benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
ramipril[no description available]medium10azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
verteporfin[no description available]medium10
indinavir sulfate[no description available]medium10dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
zimeldine[no description available]medium10styrenes
enalapril[no description available]medium10dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
trientine hydrochloride[no description available]medium10
n-methylscopolamine bromide[no description available]medium10
bleomycin[no description available]medium10bleomycinantineoplastic agent;
metabolite
enalaprilat anhydrous[no description available]medium10dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ximelagatran[no description available]medium10amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
cefuroxime[no description available]medium103-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen
ceftriaxone[no description available]medium101,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug
pafuramidine[no description available]medium10
ceftazidime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
trandolapril[no description available]medium10dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
pregabalin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker
alvimopan anhydrous[no description available]medium10peptide
aliskiren[no description available]medium10monocarboxylic acid amide;
monomethoxybenzene		antihypertensive agent
famotidine[no description available]medium101,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cefotaxime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
aztreonam[no description available]medium10beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cefpodoxime[no description available]medium10carboxylic acid;
cephalosporin		antibacterial drug
palonosetron[no description available]medium10azabicycloalkane;
delta-lactam;
organic heterotricyclic compound		antiemetic;
serotonergic antagonist
rifaximin[no description available]medium10acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative		antimicrobial agent;
gastrointestinal drug;
orphan drug
everolimus[no description available]medium10cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
ixabepilone[no description available]medium101,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
ceftizoxime[no description available]medium10cephalosporinantibacterial drug
1-methyl-d-lysergic acid butanolamide[no description available]medium10ergot alkaloid;
monocarboxylic acid amide		serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
nitrofurantoin[no description available]medium10imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
dantrolene[no description available]medium10
cefdinir[no description available]medium10cephalosporin;
ketoxime		antibacterial drug
etonogestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin
temsirolimus[no description available]medium10macrolide lactam
dutasteride[no description available]medium10(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam		antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
lu 208075[no description available]medium10diarylmethane
bibx 1382bs[no description available]medium10substituted aniline
fesoterodine[no description available]medium10diarylmethane
gemifloxacin[no description available]medium101,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
dexlansoprazole[no description available]medium10benzimidazoles;
sulfoxide
fosinopril[no description available]medium10
armodafinil[no description available]medium102-[(diphenylmethyl)sulfinyl]acetamidecentral nervous system stimulant;
eugeroic
sincalide[no description available]medium10oligopeptide
tapentadol[no description available]medium10alkylbenzene
pentagastrin[no description available]medium30organic molecular entity
pentagastrin[no description available]medium31organic molecular entity
cefditoren[no description available]medium10carboxylic acid;
cephalosporin		antibacterial drug
pazopanib[no description available]medium10aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
prasugrel hydrochloride[no description available]medium10
baci-im[no description available]medium10homodetic cyclic peptide;
polypeptide;
zwitterion		antibacterial agent;
antimicrobial agent
bms 477118[no description available]medium10adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
nystatin a1[no description available]medium10nystatins
milnacipran[no description available]medium10acetamides
scopolamine hydrobromide[no description available]medium10
bivalirudin[no description available]medium10polypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
enfuvirtide[no description available]medium10
ganirelix[no description available]medium10polypeptide
teriparatide[no description available]medium10polypeptide
salmon calcitonin[no description available]medium10heterodetic cyclic peptide;
peptide hormone;
polypeptide		bone density conservation agent;
metabolite
ly-146032[no description available]medium10heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide		antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide[no description available]medium10polypeptide
exenatide[no description available]medium10
mesna[no description available]medium10organosulfonic acid
sodium lactate[no description available]medium10lactate salt;
organic sodium salt		food acidity regulator;
food preservative
sodium iothalamate[no description available]medium10
cetrorelix[no description available]medium10oligopeptideantineoplastic agent;
GnRH antagonist
ascorbic acid[no description available]medium10ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
raltegravir[no description available]medium101,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide		antiviral drug;
HIV-1 integrase inhibitor
tetracycline[no description available]medium20
oxytetracycline, anhydrous[no description available]medium10
minocycline[no description available]medium10
piroxicam[no description available]medium10benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
warfarin[no description available]medium10benzenes;
hydroxycoumarin;
methyl ketone
demeclocycline[no description available]medium10
tipranavir[no description available]medium10sulfonamideantiviral drug;
HIV protease inhibitor
tigecycline[no description available]medium10
fertinex[no description available]medium10
entecavir[no description available]medium102-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
folic acid[no description available]medium10folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
rifampin[no description available]medium10cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine[no description available]medium10benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
dacarbazine[no description available]medium10dacarbazine
didanosine[no description available]medium10purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
valacyclovir[no description available]medium10L-valyl esterantiviral drug
sildenafil[no description available]medium10piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
olanzapine[no description available]medium10benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
vardenafil[no description available]medium10imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine		EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
allopurinol[no description available]medium10nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
citrovorum factor[no description available]medium10tetrahydrofolic acid
leucovorin[no description available]medium10formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
rifapentine[no description available]medium10N-alkylpiperazine;
N-iminopiperazine;
rifamycins		antitubercular agent;
leprostatic drug
bl 4162a[no description available]medium10imidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor
tegaserod[no description available]medium10carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist
pemetrexed[no description available]medium10N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
valganciclovir[no description available]medium10L-valyl ester;
purines		antiviral drug;
prodrug
aprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
fosaprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles		antiemetic;
neurokinin-1 receptor antagonist;
prodrug
rifabutin[no description available]medium10
levomefolate calcium[no description available]medium10organic calcium saltantidepressant
histamine[no description available]medium9013aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
choline[no description available]medium10cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
citrulline[no description available]medium10amino 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
adenine[no description available]medium106-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
carbon tetrachloride[no description available]medium10chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
evans blue[no description available]medium20organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
bradykinin[no description available]medium10oligopeptidehuman blood serum metabolite;
vasodilator agent
xylometazoline[no description available]medium20alkylbenzene
impromidine[no description available]medium10
triamcinolone acetonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
methacholine chloride[no description available]medium31quaternary ammonium salt
hydrochlorothiazide-triamterene[no description available]medium10
pyrilamine[no description available]medium20aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
astemizole[no description available]medium21benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
phencyclidine[no description available]medium10benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
phenyl acetate[no description available]medium11benzenes;
phenyl acetates
terfenadine[no description available]medium33diarylmethane
leukotriene d4[no description available]medium11dipeptide;
leukotriene;
organic sulfide		bronchoconstrictor agent;
human metabolite;
mouse metabolite
p-methoxy-n-methylphenethylamine[no description available]medium10aromatic ether;
secondary amino compound		metabolite
diatrizoate meglumine[no description available]medium10monocarboxylic acid anionradioopaque medium
carbogen[no description available]medium10
corticosterone[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
thymic factor, circulating[no description available]medium10
ozagrel[no description available]medium10cinnamic acids
xylazine[no description available]medium101,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
idazoxan[no description available]medium10benzodioxine;
imidazolines		alpha-adrenergic antagonist
methoxamine[no description available]medium10amphetaminesalpha-adrenergic agonist;
antihypotensive agent
tripelennamine[no description available]medium10aromatic amine
fluocinolone acetonide[no description available]medium2111beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
berotek[no description available]medium10resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
cocaine[no description available]medium10benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
dimethyl sulfoxide[no description available]medium10sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
16,16-dimethylprostaglandin e2[no description available]medium10cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent
glycodeoxycholic acid[no description available]medium10bile acid glycine conjugatehuman metabolite
carbachol[no description available]medium10ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
mianserin[no description available]low00dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
betazole[no description available]low00primary amino compound;
pyrazoles		diagnostic agent;
gastrointestinal drug;
histamine agonist
4-methylhistamine[no description available]low00aralkylamino compound;
imidazoles		histamine agonist;
metabolite
2-(2-aminoethyl)pyridine[no description available]low00aminoalkylpyridine;
primary amine		histamine agonist;
metabolite
2-methylhistamine[no description available]low00aralkylamino compound;
imidazoles		histamine agonist;
metabolite
tamiflu[no description available]low00phosphate salt
3,4-dimethylpyrazole phosphate[no description available]low00phosphate saltnitrification inhibitor
ConditionIndicatedRelationship StrengthStudiesTrials
Abdominal Migraine0low10
Active Hyperemia0low10
Acute Confusional Migraine0low10
Acute Disease0low10
Acute Edematous Pancreatitis0low10
Acute Liver Injury, Drug-Induced0low20
Acute Pancreatitis0low10
Airway Obstruction0medium41
Allergic Contact Dermatitis0medium11
Allergic Reaction0medium31
Allergy0medium31
Anaphylactic Reaction0low10
Anaphylactoid Reaction0low10
Anaphylactoid Shock0low10
Anaphylaxis0low10
Angiogenesis, Pathologic0low10
Angiogenesis, Pathological0low10
Anhidrosis0low10
Arterial Hyperemia0low10
Asthma0medium111
Asthma, Bronchial0medium111
Asthma, Exercise-Induced0low10
Asymmetric Diabetic Proximal Motor Neuropathy0low10
Atopic Hypersensitivity0medium21
Bleb0medium11
Bleeding0low10
Blister0medium11
Body Weight0low20
Breathing Sounds0medium11
Bronchial Asthma0medium111
Bronchial Spasm0low10
Bronchospasm0low10
Bronchospasm, Exercise-Induced0low10
Bulla0medium11
Bullae0medium11
Bullous Lesion0medium11
Cancer of Liver0low10
Cancer of the Liver0low10
Cancer, Hepatocellular0low10
Canine Diseases0low20
Carcinoma 256, Walker0low10
Carcinosarcoma 256, Walker0low10
Cervical Migraine Syndrome0low10
Chemical and Drug Induced Liver Injury0low20
Chemically-Induced Liver Toxicity0low20
Choking0medium41
Chronic Disease0low10
Chronic Illness0low10
Chronically Ill0low10
Cochlear Hearing Loss0low10
Complication, Postoperative0low10
Crackles0medium11
Curling Ulcer0medium61
Curling's Ulcer0medium61
Deafness Neurosensory0low10
Deafness, Sudden0low20
Delayed Hypersensitivity0low10
Delusional Disorder0low10
Dementia Praecox0low10
Dermatitis, Allergic Contact0medium11
Dermatitis, Allergic Eczematous0medium11
Dermatitis, Atopic0low10
Dermatitis, Contact, Allergic0medium11
Dermatoses0low10
Dermatosis0low10
Diabetic Amyotrophy0low10
Diabetic Asymmetric Polyneuropathy0low10
Diabetic Autonomic Neuropathy0low10
Diabetic Mononeuropathy0low10
Diabetic Mononeuropathy Simplex0low10
Diabetic Neuralgia0low10
Diabetic Neuropathies0low10
Diabetic Neuropathy, Painful0low10
Diabetic Polyneuropathy0low10
Dirofilariasis0low10
Disease Models, Animal0low20
Diseases, Occupational0low10
Dog Diseases0low20
Drug-Induced Acute Liver Injury0low20
Drug-Induced Liver Disease0low20
Drug-Induced Liver Injury0low20
Duodenal Ulcer0medium61
Eczema, Atopic0low10
Eczema, Infantile0low10
Electrolytes0low10
Episcleritis0low10
Erectile Dysfunction0low10
Erythema0medium21
Esophageal Reflux0low10
Exercise-Induced Asthma0low10
Exercise-Induced Bronchospasm0low10
Gastric Acid Reflux0low10
Gastric Acid Reflux Disease0low10
Gastritis, Atrophic0low10
Gastro-Esophageal Reflux0low10
Gastro-Esophageal Reflux Disease0low10
Gastro-oesophageal Reflux0low10
Gastroesophageal Reflux0low10
Gastroesophageal Reflux Disease0low10
GERD0low10
Hay Fever0low10
Hayfever0low10
Headache, Migraine0low10
Hearing Loss, Cochlear0low10
Hearing Loss, Sensorineural0low10
Hearing Loss, Sudden0low20
Heartworm Disease0low10
Hemicrania Migraine0low10
Hemorrhage0low10
Hepatic Cancer0low10
Hepatic Neoplasms0low10
Hepatitis, Drug-Induced0low20
Hepatitis, Toxic0low20
Hepatitis, Viral, Human0low10
Hepatocellular Cancer0low10
Hives0medium21
Hyperemia0low10
Hypersensitivity0medium31
Hypersensitivity, Atopic0medium21
Hypersensitivity, Delayed0low10
Hypersensitivity, Immediate0medium21
Hypersensitivity, Tuberculin-Type0low10
Hypersensitivity, Type I0medium21
Hypersensitivity, Type IV0low10
Hypohidrosis0low10
IgE-Mediated Hypersensitivity0medium21
Impotence0low10
Inflammation0low10
Innate Inflammatory Response0low10
Lichen Simplex Chronicus0low10
Liver Cancer0low10
Liver Diseases0low10
Liver Dysfunction0low10
Liver Injury, Drug-Induced0low20
Liver Injury, Drug-Induced, Acute0low20
Liver Neoplasms0low10
Lung Sounds0medium11
Male Impotence0low10
Male Sexual Impotence0low10
Migraine0low10
Migraine Disorders0low10
Migraine Headache0low10
Migraine Variant0low10
Mononeuropathy, Diabetic0low10
MS (Multiple Sclerosis)0low10
Multiple Sclerosis0low10
Multiple Sclerosis, Acute Fulminating0low10
Muscle Contraction0low30
Muscle Relaxation0medium11
Nasal Catarrh0medium11
Necrotizing Scleritis0low10
Neoplasms, Hepatic0low10
Neoplasms, Liver0low10
Neovascularization, Pathologic0low10
Neovascularization, Pathological0low10
Nerve Degeneration0low10
Nervous System Diseases0low10
Nervous System Disorders0low10
Neuralgia, Diabetic0low10
Neurodermatitis0low10
Neurodermatitis, Atopic0low10
Neurodermatitis, Circumscribed0low10
Neurodermatitis, Disseminated0low10
Neurodermatitis, Localized0low10
Neurologic Disorders0low10
Neurological Disorders0low10
Neuron Degeneration0low10
Occupational Diseases0low10
Occupational Illnesses0low10
Pancreatic Parenchyma with Edema0low10
Pancreatic Parenchymal Edema0low10
Pancreatitis0low10
Pancreatitis, Acute0low10
Pancreatitis, Acute Edematous0low10
Paranoid Schizophrenia0low10
Passive Hyperemia0low10
Pathologic Angiogenesis0low10
Pathologic Neovascularization0low10
Peptic Ulcer Perforation0low10
Peripancreatic Fat Necrosis0low10
Peripheral Nerve Diseases0low10
Peripheral Nervous System Disease0low10
Peripheral Nervous System Diseases0low10
Peripheral Nervous System Disorders0low10
Peripheral Neuropathies0low10
Pleural Rub0medium11
PNS (Peripheral Nervous System) Diseases0low10
PNS Diseases0low10
Poisoning0low10
Pollen Allergy0low10
Pollinosis0low10
Postoperative Complications0low10
Pyloric Stenosis0low10
Rales0medium11
Reactive Hyperemia0low10
Recrudescence0low10
Recurrence0low10
Reflux, Gastroesophageal0low10
Relapse0low10
Respiratory Sounds0medium11
Rhinitis0medium11
Rhinitis, Allergic, Nonseasonal0low10
Rhinitis, Allergic, Perennial0low10
Rhinitis, Allergic, Seasonal0low10
Rhonchi0medium11
Schizophrenia0low10
Schizophrenia, Paranoid0low10
Schizophrenic Disorders0low10
Sclera Diseases0low10
Scleral Diseases0low10
Scleritis0low10
Sclerosis, Disseminated0low10
Seasonal Allergic Rhinitis0low10
Sensitivity and Specificity0low10
Sensorineural Hearing Loss0low10
Shock, Anaphylactic0low10
Sick Headache0low10
Skin and Subcutaneous Tissue Disorders0low10
Skin Diseases0low10
Status Migrainosus0low10
Stenosis, Pyloric0low10
Stridor0medium11
Sudden Deafness0low20
Sudden Hearing Loss0low20
Symmetric Diabetic Proximal Motor Neuropathy0low10
Toxic Hepatitis0low20
Tuberculin-Type Hypersensitivity0low10
Type I Hypersensitivity0medium21
Type IV Hypersensitivity0low10
Ulcer0low10
Urticaria0medium21
Venous Congestion0low10
Venous Engorgement0low10
Vesication0medium11
Viral Hepatitis, Human0low10
Wheezing0medium11

Research Highlights

Safety/Toxicity (1)

ArticleYear
The efficacy and safety of mivacurium in pediatric patients.
BMC anesthesiology, 04-17, Volume: 17, Issue: 1		2017
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (1)

ArticleYear
Neurophysiological and endocrine consequences of immune activity.
Psychoneuroendocrinology, Volume: 14, Issue: 1-2		1989
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (5)

ArticleYear
The efficacy and safety of mivacurium in pediatric patients.
BMC anesthesiology, 04-17, Volume: 17, Issue: 1		2017
Histamine dosage for maximal gastric secretion in Asians - a reappraisal.
Annals of the Academy of Medicine, Singapore, Volume: 10, Issue: 2		1981
The histamine-induced skin reaction in schizophrenic and normal subjects.
The Journal of clinical psychiatry, Volume: 43, Issue: 1		1982
The combined effects of histamine and methacholine on the maximal degree of airway narrowing in normal humans in vivo.
The European respiratory journal, Volume: 1, Issue: 1		1988
Dose-response relationship between objective measures of histamine-induced weals and dose of terfenadine.
Acta dermato-venereologica, Volume: 71, Issue: 3		1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]