Compounds > butibufen
Page last updated: 2024-09-22

butibufen

Description

butibufen: RN given refers to parent cpd [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID41643
CHEMBL ID454450
CHEBI ID134908
SCHEMBL ID24177
MeSH IDM0060077

Synonyms (46)

Synonym
butibufen
mijal
butilopan
ff-106
2-(4-isobutylphenyl)butyric acid
ff 106
2-(p-isobutylphenyl)butyrate
brn 2261197
butyric acid, 2-(4-isobutylphenyl)-
butibufeno [inn-spanish]
2-(p-isobutylphenyl)butyric acid
butibufen [inn]
butibufene [inn-french]
2-(4-isobutylphenyl)buttersaeure
alpha-ethyl-4-(2-methylpropyl)benzeneacetic acid
butibufenum [inn-latin]
einecs 259-849-2
CHEBI:134908
2-[4-(2-methylpropyl)phenyl]butanoic acid
CHEMBL454450
FT-0663919
FT-0663918
FT-0663916
AKOS016014408
unii-jss1tem917
butibufenum
jss1tem917 ,
55837-18-8
butibufeno
butibufene
butibufen [who-dd]
butibufen [mi]
SCHEMBL24177
UULSXYSSHHRCQK-UHFFFAOYSA-N
2-(4-isobutylphenyl)butanoic acid
bdbm50250133
benzeneacetic acid, -alpha--ethyl-4-(2-methylpropyl)-, (-alpha-s)- (9ci)
Q3647708
EN300-1857306
FT-0663917
A913752
ff106
DTXSID201021603
DTXSID60866508
CS-0079520
HY-121132

Drug Classes (1)

ClassDescription
monoterpenoidAny terpenoid derived from a monoterpene. The term includes compounds in which the C10 skeleton of the parent monoterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (2)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Acid-sensing ion channel 3Rattus norvegicus (Norway rat)IC50 (µMol)288.40309.50009.50009.5000AID1476081
Acid-sensing ion channel 1Rattus norvegicus (Norway rat)IC50 (µMol)181.97002.00002.00002.0000AID1476078
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (22)

Assay IDTitleYearJournalArticle
AID496824Antimicrobial activity against Toxoplasma gondii2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496831Antimicrobial activity against Cryptosporidium parvum2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1476082Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents at 3 mM by two electrode voltage clamp relative to control2017Journal of medicinal chemistry, 10-12, Volume: 60, Issue:19
Molecular Basis for Allosteric Inhibition of Acid-Sensing Ion Channel 1a by Ibuprofen.
AID409958Inhibition of bovine brain MAOA2008Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID496825Antimicrobial activity against Leishmania mexicana2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496828Antimicrobial activity against Leishmania donovani2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496827Antimicrobial activity against Leishmania amazonensis2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID497005Antimicrobial activity against Pneumocystis carinii2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1476078Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp2017Journal of medicinal chemistry, 10-12, Volume: 60, Issue:19
Molecular Basis for Allosteric Inhibition of Acid-Sensing Ion Channel 1a by Ibuprofen.
AID496830Antimicrobial activity against Leishmania major2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1476080Inhibition of rat ASIC2a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 4-gated currents at 1 mM by two electrode voltage clamp relative to control2017Journal of medicinal chemistry, 10-12, Volume: 60, Issue:19
Molecular Basis for Allosteric Inhibition of Acid-Sensing Ion Channel 1a by Ibuprofen.
AID1476081Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp2017Journal of medicinal chemistry, 10-12, Volume: 60, Issue:19
Molecular Basis for Allosteric Inhibition of Acid-Sensing Ion Channel 1a by Ibuprofen.
AID496817Antimicrobial activity against Trypanosoma cruzi2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1476079Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents at 3 mM by two electrode voltage clamp relative to control2017Journal of medicinal chemistry, 10-12, Volume: 60, Issue:19
Molecular Basis for Allosteric Inhibition of Acid-Sensing Ion Channel 1a by Ibuprofen.
AID496820Antimicrobial activity against Trypanosoma brucei2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496819Antimicrobial activity against Plasmodium falciparum2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496832Antimicrobial activity against Trypanosoma brucei rhodesiense2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496823Antimicrobial activity against Trichomonas vaginalis2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496821Antimicrobial activity against Leishmania2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496818Antimicrobial activity against Trypanosoma brucei brucei2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496829Antimicrobial activity against Leishmania infantum2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID496826Antimicrobial activity against Entamoeba histolytica2010Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6
Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (11)

TimeframeStudies, This Drug (%)All Drugs %
pre-19904 (36.36)18.7374
1990's4 (36.36)18.2507
2000's1 (9.09)29.6817
2010's2 (18.18)24.3611
2020's0 (0.00)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 (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other12 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
quinacrine[no description available]medium20acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
chlordecone[no description available]medium10cyclic ketone;
organochlorine compound		insecticide;
persistent organic pollutant
aminocaproic acid[no description available]medium20amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
5,6-dimethylbenzimidazole[no description available]medium10dimethylbenzimidazoleEscherichia coli metabolite;
human metabolite
hexachlorocyclohexane[no description available]medium10chlorocyclohexane
parathion[no description available]medium10C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite
pentachlorophenol[no description available]medium10aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
amitrole[no description available]medium10aromatic amine;
triazoles		carotenoid biosynthesis inhibitor;
EC 1.11.1.6 (catalase) inhibitor;
herbicide
phenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acebutolol[no description available]medium20aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetaminophen[no description available]medium20acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
acetazolamide[no description available]medium20monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide[no description available]medium10acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
albuterol[no description available]medium20phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
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
ametantrone[no description available]medium10
aminoglutethimide[no description available]medium20dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
theophylline[no description available]medium20dimethylxanthineadenosine 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
2-aminothiazole[no description available]medium101,3-thiazoles;
primary amino compound
amlodipine[no description available]medium20dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
aspirin[no description available]medium40benzoic 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]medium20ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine[no description available]medium20aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azinphosmethyl[no description available]medium10benzotriazines;
organic thiophosphate;
organothiophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
betaxolol[no description available]medium10propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bisoprolol[no description available]medium20secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bromhexine[no description available]medium20organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic
bumetanide[no description available]medium20amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine[no description available]medium10aromatic amide;
piperidinecarboxamide;
tertiary amino compound
busulfan[no description available]medium10methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
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
carbazilquinone[no description available]medium10organic molecular entity
carmofur[no description available]medium10organohalogen compound;
pyrimidines
carmustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
carteolol[no description available]medium20quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
celiprolol[no description available]medium10aromatic ketone
chloral hydrate[no description available]medium10aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
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
chloroquine[no description available]medium20aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
chlorpropamide[no description available]medium20monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorthalidone[no description available]medium20isoindoles;
monochlorobenzenes;
sulfonamide
cimetidine[no description available]medium20aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
clenbuterol[no description available]medium20amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
clioquinol[no description available]medium20monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
cycloleucine[no description available]medium10non-proteinogenic alpha-amino acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor
dapsone[no description available]medium20substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
debrisoquin[no description available]medium20carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
diazoxide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
dicamba[no description available]medium10dichlorobenzene;
methoxybenzoic acid		agrochemical;
environmental contaminant;
herbicide;
synthetic auxin;
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
diethylcarbamazine[no description available]medium10N-carbamoylpiperazine;
N-methylpiperazine
diflunisal[no description available]medium20monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dimercaprol[no description available]medium20dithiol;
primary alcohol		chelator
dinitolmide[no description available]medium10dinitrotoluene
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
dipyrone[no description available]medium10amino sulfonic acid;
pyrazoles		anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
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
domperidone[no description available]medium20benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
ethinamate[no description available]medium10carbamate ester;
terminal acetylenic compound		sedative
ethosuximide[no description available]medium20dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
felodipine[no description available]medium20dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
berotek[no description available]medium20resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
flecainide[no description available]medium20aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
flucytosine[no description available]medium10aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
fluphenazine[no description available]medium20N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluorouracil[no description available]medium10nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
flutamide[no description available]medium20(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
furosemide[no description available]medium20chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
glutethimide[no description available]medium20piperidines
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
guanethidine[no description available]medium20azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
halothane[no description available]medium10haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
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
hydroxyurea[no description available]medium20one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
ibuprofen[no description available]medium60monocarboxylic 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]medium20primary amine
lidocaine[no description available]medium20benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
amrinone[no description available]medium20bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium20indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
iproniazid[no description available]medium10carbohydrazide;
pyridines
isoniazid[no description available]medium10carbohydrazideantitubercular agent;
drug allergen
isoproterenol[no description available]medium10catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
labetalol[no description available]medium20benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lomustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
mechlorethamine[no description available]medium20nitrogen mustard;
organochlorine compound		alkylating agent
mephenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant
mepivacaine[no description available]medium10piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium10organic molecular entity
methoxyflurane[no description available]medium20ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic
methyclothiazide[no description available]medium10benzothiadiazine
methyl salicylate[no description available]medium10benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
methylphenidate[no description available]medium20beta-amino acid ester;
methyl ester;
piperidines
metoclopramide[no description available]medium20benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metronidazole[no description available]medium20C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
mexiletine[no description available]medium20aromatic ether;
primary amino compound		anti-arrhythmia drug
minoxidil[no description available]medium20dialkylarylamine;
tertiary amino compound
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
moclobemide[no description available]medium10benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
clorgyline[no description available]medium10aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nifedipine[no description available]medium20C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
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
nitrendipine[no description available]medium20C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nitroglycerin[no description available]medium20nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
nylidrin[no description available]medium10alkylbenzene
oxprenolol[no description available]medium20aromatic ether
4-dichlorobenzene[no description available]medium10dichlorobenzeneinsecticide
pentamidine[no description available]medium20aromatic 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
perphenazine[no description available]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacemide[no description available]medium10acetamides
phenacetin[no description available]medium20acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenazopyridine[no description available]medium10diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
phenobarbital[no description available]medium10barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phentermine[no description available]medium20primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
pipobroman[no description available]medium10N-acylpiperazine;
organobromine compound;
tertiary carboxamide		alkylating agent;
antineoplastic agent
polythiazide[no description available]medium10benzothiadiazine
prilocaine[no description available]medium10amino acid amide;
monocarboxylic acid amide		anticonvulsant;
local anaesthetic
primaquine[no description available]medium20aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
primidone[no description available]medium10pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
probenecid[no description available]medium10benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
procainamide[no description available]medium20benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procaine[no description available]medium20benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
procarbazine[no description available]medium20benzamides;
hydrazines		antineoplastic agent
ranitidine[no description available]medium20aralkylamine
resorcinol[no description available]medium10benzenediol;
phenolic donor;
resorcinols		erythropoietin inhibitor;
sensitiser
semustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent
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
streptonigrin[no description available]medium10pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
sulfacetamide[no description available]medium10N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaguanidine[no description available]medium10sulfonamide antibioticantiinfective agent
sulfamethazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
sulfamethoxazole[no description available]medium10isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
sulfamethoxypyridazine[no description available]medium10pyridazines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide[no description available]medium10substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfapyridine[no description available]medium10pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
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
sulfisoxazole[no description available]medium10isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
sulfoxone[no description available]medium10sulfonamide
tegafur[no description available]medium10organohalogen compound;
pyrimidines
terbutaline[no description available]medium20phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
2,2'-thiodiethanol[no description available]medium10aliphatic sulfide;
diol		antineoplastic agent;
antioxidant;
metabolite;
solvent
thiotepa[no description available]medium10aziridines
tolazamide[no description available]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium20N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
triamterene[no description available]medium20pteridinesdiuretic;
sodium channel blocker
trichlormethiazide[no description available]medium10benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic
2,2',2''-trichlorotriethylamine[no description available]medium10
trimethadione[no description available]medium20oxazolidinoneanticonvulsant;
geroprotector
trimethoprim[no description available]medium20aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
trimetrexate[no description available]medium10
urethane[no description available]medium10carbamate esterfungal metabolite;
mutagen
vesamicol[no description available]medium10piperidines
reserpine[no description available]medium20alkaloid 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
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
triethylenemelamine[no description available]medium101,3,5-triazinesalkylating agent;
insect sterilant
allobarbital[no description available]medium10barbiturates
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
paramethasone[no description available]medium20fluorinated steroid
azauridine[no description available]medium10N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
idoxuridine[no description available]medium10organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor
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
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
dromostanolone[no description available]medium1017beta-hydroxy steroid;
3-oxo-5alpha-steroid;
anabolic androgenic steroid		anabolic agent;
antineoplastic agent
cephalothin[no description available]medium10azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
bromodeoxyuridine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
thiamine[no description available]medium10organic chloride salt;
vitamin B1
levodopa[no description available]medium20amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
methicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
niridazole[no description available]medium101,3-thiazoles;
C-nitro compound
cloxacillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
zoxazolamine[no description available]medium10benzoxazole
aniline[no description available]medium10anilines;
primary arylamine
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
uracil mustard[no description available]medium10aminouracil;
nitrogen mustard
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
cycloheximide[no description available]medium10antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
fluocinolone acetonide[no description available]medium2011beta-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
triaziquone[no description available]medium101,4-benzoquinones;
aziridines		alkylating agent;
antineoplastic agent
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
mannitol[no description available]medium20mannitolallergen;
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]medium20beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
trifluridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
sulfobromophthalein sodium[no description available]medium20organic sodium saltdye
dalapon[no description available]medium10carboxylic acid;
organohalogen compound
methylpentynol[no description available]medium10ynone
methylprednisolone[no description available]medium206-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
penicillin v[no description available]medium10penicillin allergen;
penicillin
isosorbide dinitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
pseudoephedrine[no description available]medium20phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
fenoprop[no description available]medium10monocarboxylic acidphenoxy herbicide
2-methyl-4-chlorophenoxyacetic acid[no description available]medium10chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin
dicloran[no description available]medium10aromatic fungicide;
dichlorobenzene;
nitroaniline		antifungal agrochemical
phenylhydrazine[no description available]medium10phenylhydrazinesxenobiotic
dyrene[no description available]medium10monochlorobenzenes;
organochlorine pesticide;
secondary amino compound;
triazines		antifungal agrochemical
acrolein[no description available]medium10enalherbicide;
human xenobiotic metabolite;
toxin
tetraethylenepentamine[no description available]medium10polyazaalkanecopper chelator
ergotamine[no description available]medium10peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
chloranil[no description available]medium101,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
amiben[no description available]medium10chlorobenzoic acid
monuron[no description available]medium103-(3,4-substituted-phenyl)-1,1-dimethylurea;
monochlorobenzenes		environmental contaminant;
herbicide;
xenobiotic
iminodiacetic acid[no description available]medium10amino dicarboxylic acid;
glycine derivative;
non-proteinogenic alpha-amino acid		chelator
phenetidine[no description available]medium10aromatic ether;
primary amino compound;
substituted aniline		drug metabolite
diazooxonorleucine[no description available]medium10amino acid zwitterion;
diazo compound;
ketone;
non-proteinogenic L-alpha-amino acid		analgesic;
antibacterial agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
bacterial metabolite;
EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor;
EC 3.5.1.2 (glutaminase) inhibitor;
EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor;
EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor;
EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor;
EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor;
glutamine antagonist
methylpentynol carbamate[no description available]medium10
mechlorethamine n-oxide[no description available]medium10nitrogen mustard
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
linuron[no description available]medium10dichlorobenzene;
phenylureas		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
carbutamide[no description available]medium10benzenes;
sulfonamide
betamethasone[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
hydantoins[no description available]medium10imidazolidine-2,4-dione
plumbagin[no description available]medium10hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
emetine[no description available]medium20isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
pamaquine[no description available]medium10aminoquinoline
mustard gas[no description available]medium10ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
medroxyprogesterone[no description available]medium2017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive
apronalide[no description available]medium10N-acylurea
4,6-dinitro-o-cresol[no description available]medium10dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene		dinitrophenol insecticide;
fungicide;
herbicide
metahexamide[no description available]medium10benzenes;
sulfonamide
megestrol acetate[no description available]medium2020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
toyocamycin[no description available]medium10antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside		antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
erythromycin[no description available]medium20cyclic ketone;
erythromycin
hadacidin[no description available]medium10aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
carbophenothion[no description available]medium10organic sulfide
porfiromycin[no description available]medium10
vinblastine[no description available]medium10
deoxyuridine[no description available]medium10pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
testolactone[no description available]medium103-oxo-Delta(1),Delta(4)-steroid;
seco-androstane
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
pyrithioxin[no description available]medium10methylpyridines
nsc 65346[no description available]medium10nucleoside analogueprotein kinase inhibitor
guanazole[no description available]medium10aromatic amine;
triazoles		antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
meturedepa[no description available]medium10phosphoramide
ioxynil[no description available]medium10iodophenol;
nitrile		environmental contaminant;
herbicide;
xenobiotic
bromoxynil[no description available]medium10dibromobenzene;
hydroxynitrile;
phenols		environmental contaminant;
herbicide;
xenobiotic
picloram[no description available]medium10aminopyridine;
chloropyridine;
organochlorine pesticide;
pyridinemonocarboxylic acid		herbicide;
synthetic auxin
ethoglucid[no description available]medium10epoxide
azaribine[no description available]medium10acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug
1,3,5-triglycidyl-s-triazinetrione[no description available]medium10
acetophenazine[no description available]medium20N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines		phenothiazine antipsychotic drug
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
dicloxacillin[no description available]medium10dichlorobenzene;
penicillin		antibacterial drug
improsan[no description available]medium10organosulfonic ester
streptomycin[no description available]medium10antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
piperacetazine[no description available]medium10phenothiazines
beclomethasone[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug
carbenicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
floxacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
pentaquine[no description available]medium10
zalcitabine[no description available]medium10pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
isopentenyladenosine[no description available]medium10N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue		antineoplastic agent;
plant growth regulator;
plant metabolite
ancitabine[no description available]medium10diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug
phenacid[no description available]medium10
xipamide[no description available]medium20benzamides
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
cephalexin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
isosorbide-5-mononitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
pentamethylmelamine[no description available]medium10
calusterone[no description available]medium103-hydroxy steroidandrogen
danazol[no description available]medium2017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
lisuride[no description available]medium10monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist
etoprine[no description available]medium10
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
razoxane[no description available]medium10N-alkylpiperazine
cephapirin[no description available]medium10cephalosporinantibacterial drug
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
bromocriptine[no description available]medium20indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
triamcinolone[no description available]medium2011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
azetepa[no description available]medium10phosphoramide
cefazolin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
ripazepam[no description available]medium10benzenes
amoxicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium20timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
prednimustine[no description available]medium10corticosteroid hormone
amygdalin[no description available]medium10cyanogenic glycoside;
disaccharide derivative;
gentiobioside		plant metabolite
amineptin[no description available]medium20amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
tobramycin[no description available]medium10amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
paclitaxel[no description available]medium10taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium20beta-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
ticarcillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
etidocaine[no description available]medium10amino acid amidelocal anaesthetic
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
methyldopa[no description available]medium20L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
tocainide[no description available]medium20monocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker
sq-11725[no description available]medium20
nimustine[no description available]medium10aminopyrimidine;
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
spiromustine[no description available]medium10
diaziquone[no description available]medium101,4-benzoquinones;
aziridines;
carbamate ester;
enamine		alkylating agent;
antineoplastic agent
idarubicin[no description available]medium10anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
cefonicid[no description available]medium10cephalosporinantibacterial drug
piperacillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
triciribine phosphate[no description available]medium10
captopril[no description available]medium20alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
bw-755c[no description available]medium10
cefaclor anhydrous[no description available]medium10cephalosporinantibacterial drug;
drug allergen
alfentanil[no description available]medium20monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
piritrexim[no description available]medium20
caracemide[no description available]medium10
bambuterol[no description available]medium20carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
quinapril[no description available]medium10dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
cilazapril, anhydrous[no description available]medium10dicarboxylic acid monoester;
ethyl ester;
pyridazinodiazepine		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone[no description available]medium101,4-benzoquinones
morzid[no description available]medium10morpholines
febrifugine[no description available]medium10quinazolines
thymine arabinoside[no description available]medium10N-glycosyl compound
psicofuranine[no description available]medium10psicose derivative;
purine nucleoside
triciribine[no description available]medium10nucleoside analogueEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
5-chloro-2'-deoxyuridine[no description available]medium10
bendamustine[no description available]medium10benzimidazoles
trofosfamide[no description available]medium10ifosfamides
4-aminobenzoic acid-n-xyloside[no description available]medium10
fotrin[no description available]medium10
sufosfamide[no description available]medium10
propatyl nitrate[no description available]medium10nitrate ester
dexfenfluramine[no description available]medium20fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
sulfamidochrysoidine[no description available]medium10
ibopamine[no description available]medium20benzoate ester;
phenols
pumitepa[no description available]medium10
elmustine[no description available]medium10
forphenicinol[no description available]medium10
dipropylacetamide[no description available]medium10fatty amidegeroprotector;
metabolite;
teratogenic agent
inproquone[no description available]medium10
neplanocin a[no description available]medium10
1-ethoxysilatrane[no description available]medium10
tretazicar[no description available]medium10
nsc-172755[no description available]medium10
streptovitacin a[no description available]medium10
cb 10375[no description available]medium10
carbenicillin indanyl[no description available]medium10penicillin
cb 1837[no description available]medium10
hexaphosphamide[no description available]medium10
dipin[no description available]medium10
phosphazine[no description available]medium10
diiodobenzotepa[no description available]medium10
icig 1163[no description available]medium10
bimolane[no description available]medium10
thiodipin[no description available]medium10
fluoxydine[no description available]medium10
imiphos[no description available]medium10
aldophosphamide[no description available]medium10nitrogen mustard
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
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione[no description available]medium10
oxymatrine[no description available]medium10alkaloid;
tertiary amine oxide
1,1,2-trichloroethanol[no description available]medium10
iremycin[no description available]medium10
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
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine[no description available]medium10
hainanensine[no description available]medium10
ritrosulfan[no description available]medium10
damvar[no description available]medium10
benzo-tepa[no description available]medium10
tevenel[no description available]medium10sulfonamide
tac 278[no description available]medium10
aminopterin[no description available]medium10dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid[no description available]medium10
atropine[no description available]medium20
deflazacort[no description available]medium20corticosteroid hormone
hexestrol diphosphate[no description available]medium10
carbocysteine[no description available]medium10L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		mucolytic
demecolcine[no description available]medium10alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent
nsc-89199[no description available]medium10carbamate ester;
organochlorine compound;
steroid phosphate
estramustine[no description available]medium2017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
phenethicillin[no description available]medium10penicillin allergen;
penicillin
indicine-n-oxide[no description available]medium10
trimethoprim, sulfamethoxazole drug combination[no description available]medium10
oxytocin[no description available]medium20heterodetic 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
cefoxitin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
digitoxin[no description available]medium20cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
netilmicin[no description available]medium10
bacampicillin[no description available]medium10penicillanic acid esterprodrug
angustibalin[no description available]medium10sesquiterpene lactone
metrizamide[no description available]medium10amino sugar
retinol[no description available]medium10retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
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
formycin[no description available]medium10formycinantineoplastic agent
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
cefamandole[no description available]medium10cephalosporin;
semisynthetic derivative		antibacterial drug
tiazofurin[no description available]medium101,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
azaserine[no description available]medium10carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
melphalan[no description available]medium20L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
dipyrone[no description available]medium10organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol[no description available]medium10alkylbenzene
aceglatone[no description available]medium10organic molecular entity
carbenoxolone[no description available]medium20
amygdalin[no description available]medium10amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
mitobronitol[no description available]medium10alcohol;
organobromine compound
leuprolide[no description available]medium20oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
octotropine methylbromide[no description available]medium20
fludarabine[no description available]medium10purine nucleoside
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
methylatropine nitrate[no description available]medium10
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
thioinosine[no description available]medium10
thiouracil[no description available]medium10nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
methimazole[no description available]medium101,3-dihydroimidazole-2-thionesantithyroid drug
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
digoxin[no description available]medium20cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
6-thioguanosine[no description available]medium10purine nucleoside
streptozocin[no description available]medium10
ethionamide[no description available]medium20pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
lincomycin[no description available]medium10carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
thiocarlide[no description available]medium10thioureas
mannomustine[no description available]medium10amino alcohol
gestodene[no description available]medium20steroidestrogen
glucametacin[no description available]medium20
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea[no description available]medium10
hymecromone[no description available]medium10hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
alprostadil[no description available]medium20prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
amphotericin b[no description available]medium20antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
cynarine[no description available]medium20alkyl caffeate ester;
quinic acid		plant metabolite
7432 s[no description available]medium10cephalosporin;
dicarboxylic acid		antibacterial drug
codeine[no description available]medium20morphinane 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
dihydrocodeine[no description available]medium20morphinane alkaloid
ly 163892[no description available]medium20carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
naloxone[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
morphine[no description available]medium20morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
pactamycin[no description available]medium10
anthramycin[no description available]medium10
lacidipine[no description available]medium20cinnamate ester;
tert-butyl ester
cytochalasin b[no description available]medium10cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
vinorelbine[no description available]medium20acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
irisquinone[no description available]medium10
mitoguazone[no description available]medium10guanidines;
hydrazone		antineoplastic agent;
apoptosis inducer;
EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
cefixime[no description available]medium10cephalosporinantibacterial drug;
drug allergen
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
enalapril[no description available]medium10dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
nitrofurazone[no description available]medium10
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
ceftazidime[no description available]medium10cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
ceftiofur[no description available]medium10
cilastatin[no description available]medium10carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
sibiromycin[no description available]medium10aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine		antineoplastic agent;
bacterial metabolite
ceftizoxime[no description available]medium10cephalosporinantibacterial drug
1-methyl-d-lysergic acid butanolamide[no description available]medium20ergot 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
butylscopolammonium bromide[no description available]medium20
fumagillin[no description available]medium10antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide		angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor
thioacetazone[no description available]medium10
treosulfan[no description available]medium10methanesulfonate ester
gentamicin sulfate[no description available]medium10
nkp 608[no description available]medium10
ganu[no description available]medium10
metamelfalan[no description available]medium10
vindesine[no description available]medium10
diflucortolone[no description available]medium2021-hydroxy steroid
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose[no description available]medium10
ro 6-4563[no description available]medium10monoterpenoid
flucloronide[no description available]medium1021-hydroxy steroid
hainanolide[no description available]medium10
gliocladic acid[no description available]medium10p-menthane monoterpenoid
cleistanthin[no description available]medium10cleistanthins;
xylose derivative		alpha-adrenergic antagonist;
antihypertensive agent;
diuretic
nimorazole[no description available]medium10
ascorbic acid[no description available]medium20ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
novobiocin[no description available]medium10carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracycline[no description available]medium20
chlortetracycline[no description available]medium10
oxytetracycline, anhydrous[no description available]medium20
minocycline[no description available]medium20
bactobolin[no description available]medium10amino acid amide
mobiflex[no description available]medium20heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
demeclocycline[no description available]medium10
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
rifampin[no description available]medium20cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
dacarbazine[no description available]medium10dacarbazine
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
allopurinol[no description available]medium20nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
azaguanine[no description available]medium10nucleobase analogue;
triazolopyrimidines		antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alanosine[no description available]medium10
7-deazaguanosine[no description available]medium10
pyrazofurin[no description available]medium10C-glycosyl compound;
pyrazoles		antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
n(10)-methylfolate[no description available]medium10folic acids
5-methyltetrahydrohomofolic acid[no description available]medium10
ninopterin[no description available]medium10
aminooxyacetic acid[no description available]medium10amino acid;
hydroxylamines;
monocarboxylic acid		anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent
acetohydroxamic acid[no description available]medium10acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
alendronate[no description available]medium101,1-bis(phosphonic acid);
primary amino compound		bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alprazolam[no description available]medium10organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
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
aprindine[no description available]medium10indanes
bepridil[no description available]medium10pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
bretylium[no description available]medium10quaternary ammonium ionadrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
verapamil[no description available]medium10aromatic ether;
nitrile;
polyether;
tertiary amino compound
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
chlordiazepoxide[no description available]medium10benzodiazepine
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
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
clomipramine[no description available]medium10dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clonidine[no description available]medium10clonidine;
imidazoline
chlorazepate[no description available]medium101,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
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
diazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
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
3,4-dihydroxybenzohydroxamic acid[no description available]medium10benzoic acids
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
ethyl loflazepate[no description available]medium10organic molecular entity
fentanyl[no description available]medium10anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
fluoxetine[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flurbiprofen[no description available]medium40fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
hydroxyzine[no description available]medium10hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
incadronate[no description available]medium101,1-bis(phosphonic acid)
indomethacin[no description available]medium10aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
nsc 664704[no description available]medium10indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
ketamine[no description available]medium10cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketanserin[no description available]medium10aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofen[no description available]medium20benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
ketotifen[no description available]medium10cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist
lansoprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lofepramine[no description available]medium10aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
lorazepam[no description available]medium10benzodiazepine
maprotiline[no description available]medium10anthracenes
mazindol[no description available]medium10organic molecular entity
mefloquine hydrochloride[no description available]medium10organofluorine compound;
piperidines;
quinolines;
secondary alcohol
methoxyamine[no description available]medium10organooxygen compound
mianserin[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
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
olomoucine[no description available]medium102,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
oxatomide[no description available]medium10benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
oxazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxyphenbutazone[no description available]medium10phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
aminosalicylic acid[no description available]medium10aminobenzoic acid;
phenols		antitubercular agent
pamidronate[no description available]medium10phosphonoacetic acid
pantoprazole[no description available]medium10aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
papaverine[no description available]medium10benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
phenindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant
phenylbutazone[no description available]medium20pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
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
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rabeprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
risedronic acid[no description available]medium10pyridines
sulforaphane[no description available]medium10isothiocyanate;
sulfoxide		antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
terfenadine[no description available]medium10diarylmethane
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
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
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
zopiclone[no description available]medium10monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
cetrimonium bromide[no description available]medium10organic bromide salt;
quaternary ammonium salt		detergent;
surfactant
phenformin[no description available]medium10biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
sterogenol[no description available]medium10bromide salt;
pyridinium salt		antiseptic drug;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
surfactant
cycloguanil[no description available]medium10triazinesantifolate;
antiinfective agent;
antimalarial;
antiparasitic agent;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
dextropropoxyphene[no description available]medium101-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
benzohydroxamic acid[no description available]medium10
sulfadoxine[no description available]medium10pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
pyrodifenium bromide[no description available]medium10organic molecular entity
amopyroquine[no description available]medium10
levamisole[no description available]medium106-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
benzonidazole[no description available]medium10C-nitro compound;
imidazoles;
monocarboxylic acid amide		antiprotozoal drug
halazepam[no description available]medium10organic molecular entity
dexchlorpheniramine[no description available]medium10chlorphenamine
halofantrine[no description available]medium10phenanthrenes
hydroxymaprotilin[no description available]medium10
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
pinazepam[no description available]medium10benzodiazepine
paroxetine[no description available]medium10aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
staurosporine[no description available]medium10indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
salmeterol xinafoate[no description available]medium10naphthoic acid
ibandronic acid[no description available]medium10
trovafloxacin[no description available]medium10
ursolic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite
propamidine[no description available]medium10aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
sinefungin[no description available]medium10adenosines;
non-proteinogenic alpha-amino acid		antifungal agent;
antimicrobial agent
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
etofibrate[no description available]medium10monocarboxylic acid
synthalin a[no description available]medium10guanidineshepatotoxic agent;
hypoglycemic agent;
nephrotoxin
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
pirlindole[no description available]medium10carbazoles
artemether[no description available]medium10artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid		antimalarial
6-amino-1-hydroxyhexane-1,1-diphosphonate[no description available]medium101,1-bis(phosphonic acid)
rexigen[no description available]medium10
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
clociguanil[no description available]medium10
tebuquine[no description available]medium10
atovaquone[no description available]medium10hydroxy-1,2-naphthoquinone
cryptolepine[no description available]medium10indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite
cinchonine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate[no description available]medium10
desethylchloroquine[no description available]medium10aminoquinoline
wr 159412[no description available]medium10
cinchonidine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
benzyloxyamine[no description available]medium10
pyronaridine[no description available]medium10aminoquinoline
tafenoquine[no description available]medium10(trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound
desethylamodiaquine[no description available]medium10
n,n-dideethylchloroquine[no description available]medium10
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine[no description available]medium10
ne 58051[no description available]medium10
wr 242511[no description available]medium10
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
cyc 202[no description available]medium102,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
olpadronic acid[no description available]medium10
lupeol[no description available]medium10pentacyclic triterpenoid;
secondary alcohol		anti-inflammatory drug;
plant metabolite
neocryptolepine[no description available]medium10
1-hydroxypentane-1,1-bisphosphonate[no description available]medium10
cimadronate[no description available]medium10
1,1-hydroxyoctanodiphosphonate[no description available]medium10
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
canaline[no description available]medium10amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite
purvalanol a[no description available]medium10purvalanol
Tetrahydropiperine[no description available]medium10benzodioxoles
piperine[no description available]medium10benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide		food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
ilepcimide[no description available]medium10benzodioxoles
ipratropium bromide anhydrous[no description available]medium10
flunarizine[no description available]medium10diarylmethane
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
artemotil[no description available]medium10artemisinin derivative
quinine[no description available]medium10cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
alsterpaullone[no description available]medium10C-nitro compound;
caprolactams;
organic heterotetracyclic compound		anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor
usambarensine[no description available]medium10harmala alkaloid
triprolidine[no description available]medium10N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
licochalcone a[no description available]medium10chalcones
stilbamidine[no description available]medium10
piperic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles		plant metabolite
proguanil[no description available]medium10biguanides;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
nifuroxime[no description available]medium10
nifurtimox[no description available]medium10nitrofuran antibiotic
roxithromycin[no description available]medium10roxithromycinenvironmental contaminant;
xenobiotic
artesunate[no description available]medium10artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
chlorproguanil[no description available]medium10dichlorobenzene
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide[no description available]medium10
artenimol[no description available]medium10
4-phenoxyphenoxyethyl thiocyanate[no description available]medium10
deoxoartemisinin[no description available]medium10
amodiaquine hydrochloride[no description available]medium10
valproate sodium[no description available]medium10organic sodium saltgeroprotector
butyrolactone i[no description available]medium10butenolide
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
rolitetracycline[no description available]medium10
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
thiolactomycin[no description available]medium10
3,4,5-trihydroxybenzamidoxime[no description available]medium10benzenetriol
ibufenac[no description available]medium10monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
amiloride[no description available]medium10aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
dexibuprofen[no description available]medium10ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug
ibuprofen, (r)-isomer[no description available]medium10ibuprofen
acid phosphatase[no description available]medium10
phenyl acetate[no description available]medium10benzenes;
phenyl acetates
ammonium chloride[no description available]medium10ammonium salt;
inorganic chloride		ferroptosis inhibitor
urea[no description available]medium20isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
ornithine[no description available]medium10non-proteinogenic L-alpha-amino acid;
ornithine		algal metabolite;
hepatoprotective agent;
mouse metabolite
glutamic acid[no description available]medium10glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
beta-thujaplicin[no description available]low00cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
moxisylyte[no description available]low00monoterpenoid
cantharidin[no description available]low00cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
linalool[no description available]low00monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
thymol[no description available]low00monoterpenoid;
phenols		volatile oil component
citronellal[no description available]low00aldehyde;
monoterpenoid		antifungal agent;
metabolite
linalyl acetate[no description available]low00acetate ester;
monoterpenoid
menthyl anthranilate[no description available]low00monoterpenoid
citronellol[no description available]low00monoterpenoidplant metabolite
citronellyl acetate[no description available]low00acetate ester;
monoterpenoid		plant metabolite
beta-cyclocitral[no description available]low00monoterpenoidbacterial metabolite
citronellic acid[no description available]low00medium-chain fatty acid;
monoterpenoid;
monounsaturated fatty acid		flavouring agent;
plant metabolite
2-thymotic acid[no description available]low00monoterpenoid
Mecamylamine hydrochloride[no description available]low00monoterpenoid
moxisylyte hydrochloride[no description available]low00monoterpenoid
fencamfamine[no description available]low00monoterpenoid
bornaprine[no description available]low00monoterpenoid
nopinone[no description available]low00monoterpenoid
pinaverium[no description available]low00monoterpenoid
safranal[no description available]low00monoterpenoid
verbenol[no description available]low00monoterpenoid
perillene[no description available]low00furans;
monoterpenoid		fragrance;
metabolite;
semiochemical
clotiazepam[no description available]low00monoterpenoid
carvacryl acetate[no description available]low00monoterpenoid
abnormal cannabidiol[no description available]low00monoterpenoid
isohumulone[no description available]low00monoterpenoid
chrysanthemol[no description available]low00cyclopropanes;
homoallylic alcohol;
monoterpenoid;
primary alcohol
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid[no description available]low00monoterpenoid
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene[no description available]low00monoterpenoid;
organobromine compound;
organochlorine compound		algal metabolite;
antineoplastic agent;
marine metabolite
fusidic acid[no description available]low00monoterpenoid
avasimibe[no description available]low00monoterpenoid
menthofuran[no description available]low001-benzofurans;
monoterpenoid		nematicide;
plant metabolite
chrysanthenone[no description available]low00monoterpenoid
geraniol[no description available]low003,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol		allergen;
fragrance;
plant metabolite;
volatile oil component
citral[no description available]low00enal;
monoterpenoid;
polyprenal		plant metabolite;
volatile oil component
LSM-32392[no description available]low00monoterpenoid
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide[no description available]low00monoterpenoid
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide[no description available]low00monoterpenoid
2-(3-cyano-4,5,6-trimethyl-1H-pyridin-2-ylidene)propanedinitrile[no description available]low00monoterpenoid
4-propan-2-yl-N-(3-pyridinyl)benzamide[no description available]low00monoterpenoid
geranyl acetate[no description available]low00acetate ester;
monoterpenoid		plant metabolite
aurapten[no description available]low00coumarins;
monoterpenoid		antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary
4-propan-2-ylbenzenecarbothioamide[no description available]low00monoterpenoid
2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester[no description available]low00monoterpenoid
N'-[3-bicyclo[2.2.1]heptanyl(oxo)methyl]-3-chloro-1-benzothiophene-2-carbohydrazide[no description available]low00monoterpenoid
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide[no description available]low00monoterpenoid
N-(5-bromo-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide[no description available]low00monoterpenoid
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide[no description available]low00monoterpenoid
N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide[no description available]low00monoterpenoid
1,7,7-trimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)-oxomethyl]-2-bicyclo[2.2.1]heptanone[no description available]low00monoterpenoid
1,7,7-trimethyl-N,N-bis(2-methylpropyl)-2-oxo-4-bicyclo[2.2.1]heptanecarboxamide[no description available]low00monoterpenoid
3-(2-furanyl)-3-(4-methylphenyl)-1-(4-morpholinyl)-1-propanone[no description available]low00monoterpenoid
1-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methoxy]-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propanol[no description available]low00monoterpenoid
N-(2,4,6-trimethylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide[no description available]low00monoterpenoid
2-[2-methoxyethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide[no description available]low00monoterpenoid
LSM-18934[no description available]low00monoterpenoid
LSM-16579[no description available]low00monoterpenoid
1,7,7-trimethyl-N'-(4-nitrophenyl)-2-oxo-4-bicyclo[2.2.1]heptanecarbohydrazide[no description available]low00monoterpenoid
LSM-16386[no description available]low00monoterpenoid
metoxibutropate[no description available]low00monoterpenoid
LSM-1646[no description available]low00monoterpenoid
decaprenoic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monoterpenoid;
polyunsaturated fatty acid		antifungal agent;
EC 1.14.18.1 (tyrosinase) inhibitor;
melanin synthesis inhibitor;
pheromone;
plant metabolite
sm 10902[no description available]low00monoterpenoid
cicaprost[no description available]low00monoterpenoid
s 145[no description available]low00monoterpenoid
decaprenoic acid[no description available]low00monoterpenoid
gsk 4716[no description available]low00monoterpenoid
8-hydroxygeraniol[no description available]low00diol;
monoterpenoid;
prenols
pinocamphone[no description available]low00monoterpenoid
bornyl acetate[no description available]low00acetate ester;
monoterpenoid
reparixin[no description available]low00monoterpenoid
cannabidivarin[no description available]low00monoterpenoid
myrigalone a[no description available]low00monoterpenoid
N-[(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide[no description available]low00monoterpenoid
hericenone c[no description available]low00monoterpenoid
1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea[no description available]low00monoterpenoid
1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)propyl]thiourea[no description available]low00monoterpenoid
[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene[no description available]low00monoterpenoid
(2R)-N2-[2-(4-bicyclo[2.2.1]heptanyl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)pentan-2-yl]hexane-1,2-diamine[no description available]low00monoterpenoid
paeoniflorigenone[no description available]low00alicyclic ketone;
benzoate ester;
bridged compound;
cyclic acetal;
lactol;
monoterpenoid		neuromuscular agent;
plant metabolite
myrtecaine[no description available]low00monoterpenoid
ConditionIndicatedRelationship StrengthStudiesTrials
Adjuvant Arthritis0low10
Anasarca0low10
Arthritis, Adjuvant0low10
Arthritis, Adjuvant-Induced0low10
Arthritis, Collagen-Induced0low10
Arthritis, Experimental0low10
Collagen Arthritis0low10
Dropsy0low10
Edema0low10
Extravascular Hemolysis0low10
Gastric Ulcer0low10
Gastrointestinal Hemorrhage0low10
Haemolysis0low10
Hematochezia0low10
Hemolysis0low10
Hemorrhage, Gastrointestinal0low10
Hydrops0low10
Intravascular Hemolysis0low10
Parasite Infections0low10
Parasitic Diseases0low10
Parasitic Infections0low10
Stomach Ulcer0low10

Research Highlights

Safety/Toxicity (2)

ArticleYear
A study of the relative hepatotoxicity in vitro of the non-steroidal anti-inflammatory drugs ibuprofen, flurbiprofen and butibufen.
Xenobiotica; the fate of foreign compounds in biological systems, Volume: 18, Issue: 6		1988
Phototoxicity of non-steroidal anti-inflammatory drugs: in vitro testing of the photoproducts of Butibufen and Flurbiprofen.
Journal of photochemistry and photobiology. B, Biology, Apr-15, Volume: 13, Issue: 1		1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]