Compounds > 4',6-dihydroxy-5,7-dimethoxyflavone
Page last updated: 2024-09-27

4',6-dihydroxy-5,7-dimethoxyflavone

Description

4',6-dihydroxy-5,7-dimethoxyflavone : A dimethoxyflavone that is the 5,7-dimethyl ether derivative of scutellarein. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID244386
CHEMBL ID77928
CHEBI ID79619

Synonyms (25)

Synonym
CHEMBL77928
chebi:79619 ,
NCI60_004356
nsc-55273
mls000737304 ,
nsc55273
33028-99-8
6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4h-chromen-4-one
6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-chromen-4-one
C15100 ,
6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4h-1-benzopyran-4-one
4',6-dihydroxy-5,7-dimethoxyflavone
smr000528256
NCIOPEN2_007567
NCGC00246834-01
unii-47i715gz5q
nsc 55273
47i715gz5q ,
4h-1-benzopyran-4-one, 6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-
flavone, 4',6-dihydroxy-5,7-dimethoxy-
4',6-dihydroxy-5,7-dimethoxyflavon
scutellarein 5,7-dimethyl ether
OPERA_ID_959
DTXSID40186695
Q27148740

Drug Classes (2)

ClassDescription
dihydroxyflavoneAny hydroxyflavone in which two ring hydrogens are replaced by hydroxy substituents.
dimethoxyflavoneAny methoxyflavone with two methoxy substituents.
[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 (17)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency39.81070.003245.467312,589.2998AID2517
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency39.81070.177814.390939.8107AID2147
LuciferasePhotinus pyralis (common eastern firefly)Potency23.93410.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency2.51190.01846.806014.1254AID624417
phosphopantetheinyl transferaseBacillus subtilisPotency44.66840.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency16.35350.004110.890331.5287AID504466; AID504467
TDP1 proteinHomo sapiens (human)Potency16.71590.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency10.00000.180013.557439.8107AID1460
Smad3Homo sapiens (human)Potency10.00000.00527.809829.0929AID588855
67.9K proteinVaccinia virusPotency11.22020.00018.4406100.0000AID720579; AID720580
glucocerebrosidaseHomo sapiens (human)Potency10.00000.01268.156944.6684AID2101
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
importin subunit beta-1 isoform 1Homo sapiens (human)Potency39.81075.804836.130665.1308AID540263
DNA polymerase betaHomo sapiens (human)Potency31.62280.022421.010289.1251AID485314
flap endonuclease 1Homo sapiens (human)Potency28.18380.133725.412989.1251AID588795
snurportin-1Homo sapiens (human)Potency39.81075.804836.130665.1308AID540263
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
rac GTPase-activating protein 1 isoform aHomo sapiens (human)IC50 (µMol)18.20007.390057.8904301.2400AID624330
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (23)

Assay IDTitleYearJournalArticle
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588459High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588461High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588460High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID144650In vitro cytotoxic potency against NCI-60 human tumor cell line1998Journal of medicinal chemistry, Jun-18, Volume: 41, Issue:13
Structure-activity requirements for flavone cytotoxicity and binding to tubulin.
AID1224864HCS microscopy assay (F508del-CFTR)2016PloS one, , Volume: 11, Issue:10
Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's1 (14.29)18.2507
2000's1 (14.29)29.6817
2010's4 (57.14)24.3611
2020's1 (14.29)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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
podophyllotoxin[no description available]medium20furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
tangeretin[no description available]medium10pentamethoxyflavoneantineoplastic agent;
plant metabolite
nobiletin[no description available]medium10methoxyflavoneantineoplastic agent;
plant metabolite
4',5,6,7-tetramethoxyflavone[no description available]medium10tetramethoxyflavoneantimutagen;
plant metabolite
quercetin 5,7,3',4'-tetramethyl ether[no description available]medium10flavonols;
tetramethoxyflavone		plant metabolite
5,4'-dihydroxy-3,6,7,8,3'-pentamethoxyflavone[no description available]medium10
5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone[no description available]medium10ether;
flavonoids
3,3',4',5,6,7,8-heptamethoxyflavone[no description available]medium10ether;
flavonoids
sideritoflavone[no description available]medium10ether;
flavonoids
nevadensin[no description available]medium10dihydroxyflavone;
trimethoxyflavone		plant metabolite
4',5-dihydroxy-3',6,7,8-tetramethoxyflavone[no description available]medium10
2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one[no description available]medium10monohydroxyflavone;
trimethoxyflavone
gardenin a[no description available]medium10
3',4',5'-trimethoxyflavone[no description available]medium10ether;
flavonoids
5-demethylnobiletin[no description available]medium10ether;
flavonoids
5-Hydroxy-7-methoxy-6-methylflavone[no description available]medium10ether;
flavonoids
5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone[no description available]medium10
eupatilin[no description available]medium10dihydroxyflavone;
trimethoxyflavone		anti-inflammatory agent;
anti-ulcer drug;
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
quercetin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
ayanin[no description available]medium10dihydroxyflavone;
trimethoxyflavone		plant metabolite
chrysosplenetin b[no description available]medium10dihydroxyflavone;
tetramethoxyflavone		antiviral agent;
plant metabolite
fisetin[no description available]medium103'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
hispidulin[no description available]medium10monomethoxyflavone;
trihydroxyflavone		anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
myricetin[no description available]medium107-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
rhamnetin[no description available]medium10monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite
centaureidin[no description available]medium10trihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite
eupatin[no description available]medium10flavonols;
trihydroxyflavone;
trimethoxyflavone
ombuine[no description available]medium10dimethoxyflavone;
flavonols;
trihydroxyflavone		anti-inflammatory agent;
plant metabolite
5,7-dihydroxy-4',6-dimethoxyflavone[no description available]medium10dihydroxyflavone;
dimethoxyflavone		plant metabolite
ermanin[no description available]medium10dihydroxyflavone;
dimethoxyflavone		anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite
5-hydroxy-3,3',4',7-tetramethoxyflavone[no description available]medium103'-methoxyflavones;
monohydroxyflavone;
tetramethoxyflavone		plant metabolite
5,7,3'-trihydroxy-3,4'-dimethoxyflavone[no description available]medium10dimethoxyflavone;
trihydroxyflavone		antineoplastic agent;
metabolite
ternatin (flavonoid)[no description available]medium10ether;
flavonoids
gamma-aminobutyric acid[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
9-xylosyladenine[no description available]medium10purine nucleoside
coumarin[no description available]medium10coumarinsfluorescent dye;
human metabolite;
plant metabolite
salicylic acid[no description available]medium10monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
malic acid[no description available]medium102-hydroxydicarboxylic acid;
C4-dicarboxylic acid		food acidity regulator;
fundamental metabolite
phosphonoacetic acid[no description available]medium10monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
histamine[no description available]medium10aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
naringenin[no description available]medium104'-hydroxyflavanones;
trihydroxyflavanone
niacinamide[no description available]medium10pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacin[no description available]medium10pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
pyrazinamide[no description available]medium10monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
pyrazinoic acid[no description available]medium10pyrazinecarboxylic acidantitubercular agent;
drug metabolite
1,10-phenanthroline[no description available]medium10phenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,3-dipropyl-8-cyclopentylxanthine[no description available]medium10oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
2,2'-dipyridyl[no description available]medium10bipyridinechelator;
ferroptosis inhibitor
ro 5-4864[no description available]medium10
4-aminopyridine[no description available]medium10aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker
phenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
5,8,11,14-eicosatetraynoic acid[no description available]medium10long-chain fatty acid
5-fluoroindole-2-carboxylic acid[no description available]medium10indolyl carboxylic acid
etofylline[no description available]medium10oxopurine
7-nitroindazole[no description available]medium10
aa 861[no description available]medium101,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor
acetarsol[no description available]medium10acetamides;
anilide
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
altretamine[no description available]medium10triamino-1,3,5-triazine
theophylline[no description available]medium10dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amoxapine[no description available]medium10dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
aniracetam[no description available]medium10N-acylpyrrolidine;
pyrrolidin-2-ones
anisindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant;
vitamin K antagonist
astemizole[no description available]medium10benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
atenolol[no description available]medium10ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azelaic acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
bay-k-8644[no description available]medium10(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
bendroflumethiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
benzothiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
bay h 4502[no description available]medium10biphenyls;
imidazoles
bisacodyl[no description available]medium10diarylmethane
brimonidine[no description available]medium10imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
bufexamac[no description available]medium10aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bumetanide[no description available]medium10amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
butacaine[no description available]medium10benzoate ester
butamben[no description available]medium10amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic
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
carisoprodol[no description available]medium10carbamate estermuscle relaxant
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
chlorpropamide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
chlorthalidone[no description available]medium10isoindoles;
monochlorobenzenes;
sulfonamide
chlorzoxazone[no description available]medium101,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
cilostazol[no description available]medium10lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
cimetidine[no description available]medium10aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cinoxacin[no description available]medium10cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide[no description available]medium10sulfonamide
dapsone[no description available]medium10substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
deferiprone[no description available]medium104-pyridonesiron chelator;
protective agent
diazoxide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
dibucaine[no description available]medium10aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic
dichlorophen[no description available]medium10bridged diphenyl fungicide;
diarylmethane
diflunisal[no description available]medium10monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dipyridamole[no description available]medium10piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disulfiram[no description available]medium10organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
domperidone[no description available]medium10benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
dipropizine[no description available]medium10piperazines
dyphylline[no description available]medium10oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
ebselen[no description available]medium10benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
ellipticine[no description available]medium10indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
epirizole[no description available]medium10aromatic ether
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
myambutol[no description available]medium10amino alcohol
ethoxzolamide[no description available]medium10aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac[no description available]medium10monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
felbamate[no description available]medium10carbamate esteranticonvulsant;
neuroprotective agent
4-biphenylylacetic acid[no description available]medium10biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug
felodipine[no description available]medium10dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fenbufen[no description available]medium104-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug
fenofibrate[no description available]medium10aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
flucytosine[no description available]medium10aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flufenamic acid[no description available]medium10aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flumazenil[no description available]medium10ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
flumequine[no description available]medium103-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic
fluorouracil[no description available]medium10nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
flurbiprofen[no description available]medium10fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gemfibrozil[no description available]medium10aromatic etherantilipemic drug
glipizide[no description available]medium10aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
glyburide[no description available]medium10monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
fluorometholone[no description available]medium10
1-(5-isoquinolinesulfonyl)-2-methylpiperazine[no description available]medium10isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor
haloperidol[no description available]medium10aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
harmaline[no description available]medium10harmala alkaloidoneirogen
hexachlorophene[no description available]medium10bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
hexamethylene bisacetamide[no description available]medium10acetamides
hycanthone[no description available]medium10thioxanthenesmutagen;
schistosomicide drug
hydrochlorothiazide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroflumethiazide[no description available]medium10benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
ibuprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
lidocaine[no description available]medium10benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
amrinone[no description available]medium10bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium10indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
indomethacin[no description available]medium10aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
indoprofen[no description available]medium10gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ipriflavone[no description available]medium10aromatic ether;
isoflavones		bone density conservation agent
isoniazid[no description available]medium10carbohydrazideantitubercular agent;
drug allergen
itraconazole[no description available]medium10piperazines
ketoprofen[no description available]medium10benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
lamotrigine[no description available]medium101,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lansoprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
leflunomide[no description available]medium10(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
ly 171883[no description available]medium10acetophenones;
aromatic ether;
phenols;
tetrazoles		anti-asthmatic drug;
leukotriene antagonist
edaravone[no description available]medium10pyrazoloneantioxidant;
radical scavenger
meclofenamate sodium anhydrous[no description available]medium10organic sodium salt
mefenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
metronidazole[no description available]medium10C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
minoxidil[no description available]medium10dialkylarylamine;
tertiary amino compound
moclobemide[no description available]medium10benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
acecainide[no description available]medium10acetamides;
benzamides		anti-arrhythmia drug
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nialamide[no description available]medium10organonitrogen compound;
organooxygen compound
nifedipine[no description available]medium10C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
niflumic acid[no description available]medium10aromatic carboxylic acid;
pyridines
nimesulide[no description available]medium10aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nimodipine[no description available]medium102-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nitrendipine[no description available]medium10C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
norfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
cm 7116[no description available]medium10benzodiazepine
ofloxacin[no description available]medium103-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
aminosalicylic acid[no description available]medium10aminobenzoic acid;
phenols		antitubercular agent
pentoxifylline[no description available]medium10oxopurine
perphenazine[no description available]medium10N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant
phenolphthalein[no description available]medium10phenols
4-phenylbutyric acid[no description available]medium10monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
phenylbutazone[no description available]medium10pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
pinacidil[no description available]medium10pyridines
pipemidic acid[no description available]medium10amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
piracetam[no description available]medium10organonitrogen compound;
organooxygen compound
pirenperone[no description available]medium10aromatic ketone
praziquantel[no description available]medium10isoquinolines
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
prochlorperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
proxyphylline[no description available]medium10oxopurine
pyrimethamine[no description available]medium10aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
pf 5901[no description available]medium10quinolines
riluzole[no description available]medium10benzothiazoles
ritanserin[no description available]medium10organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
rolipram[no description available]medium10pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
ronidazole[no description available]medium10C-nitro compound;
carbamate ester;
imidazoles		antiparasitic agent;
antiprotozoal drug
salicylamide[no description available]medium10phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
spiperone[no description available]medium10aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
aldactazide[no description available]medium10steroid lactone
streptonigrin[no description available]medium10pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
sulfabenzamide[no description available]medium10benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug
sulfacetamide[no description available]medium10N-sulfonylcarboxamide;
substituted aniline		antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfadimethoxine[no description available]medium10aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamerazine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
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
sulfamethizole[no description available]medium10sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
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
tegafur[no description available]medium10organohalogen compound;
pyrimidines
terazosin[no description available]medium10furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terfenadine[no description available]medium10diarylmethane
thiabendazole[no description available]medium101,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
tinidazole[no description available]medium10imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
tolazamide[no description available]medium10N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]medium10N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolnaftate[no description available]medium10monothiocarbamic esterantifungal drug
trapidil[no description available]medium10triazolopyrimidines
trichlormethiazide[no description available]medium10benzothiadiazine;
sulfonamide antibiotic		antihypertensive agent;
diuretic
trimethoprim[no description available]medium10aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
tyramine[no description available]medium10monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
vesamicol[no description available]medium10piperidines
xylazine[no description available]medium101,3-thiazine;
methylbenzene;
secondary amino compound		alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative
zopiclone[no description available]medium10monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
hydrocortisone acetate[no description available]medium10cortisol ester;
tertiary alpha-hydroxy ketone
oxyphenonium bromide[no description available]medium10
corticosterone[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
phentolamine[no description available]medium10imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
floxuridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
neostigmine methylsulfate[no description available]medium10arylammonium sulfate saltEC 3.1.1.8 (cholinesterase) inhibitor
prednisolone acetate[no description available]medium10corticosteroid hormone
trichlorfon[no description available]medium10organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
estrone[no description available]medium1017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
androsterone[no description available]medium1017-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone
promazine hydrochloride[no description available]medium10hydrochloride
azauridine[no description available]medium10N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite
pilocarpine hydrochloride[no description available]medium10hydrochloride
dimethylphenylpiperazinium iodide[no description available]medium10N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt		nicotinic acetylcholine receptor agonist
desoxycorticosterone acetate[no description available]medium10corticosteroid hormone
benzyltrimethylammonium chloride[no description available]medium10
ethinyl estradiol[no description available]medium1017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
promethazine hydrochloride[no description available]medium10hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
uridine[no description available]medium10uridinesdrug metabolite;
fundamental metabolite;
human metabolite
tolazoline hydrochloride[no description available]medium10benzenes
acetylcholine chloride[no description available]medium10quaternary ammonium salt
methoxamine hydrochloride[no description available]medium10dimethoxybenzene
papaverine hydrochloride[no description available]medium10
bretylium tosylate[no description available]medium10organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
methacholine chloride[no description available]medium10quaternary ammonium salt
androstenedione[no description available]medium1017-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
desoxycorticosterone[no description available]medium1020-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
fluocinolone acetonide[no description available]medium1011beta-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
norethynodrel[no description available]medium10oxo steroid
17-alpha-hydroxyprogesterone[no description available]medium1017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin
chlorpromazine hydrochloride[no description available]medium10hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug
ampicillin[no description available]medium10beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
cytarabine hydrochloride[no description available]medium10
trifluridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
4-hydroxypropiophenone[no description available]medium10acetophenones
medroxyprogesterone acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
isopropamide iodide[no description available]medium10diarylmethane
mestranol[no description available]medium1017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
lidocaine hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug;
local anaesthetic
triamcinolone acetonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
dehydrocholic acid[no description available]medium1012-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug
methylprednisolone[no description available]medium106-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
9,10-phenanthrenequinone[no description available]medium10phenanthrenes
phenothiazine[no description available]medium10phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
mecoprop[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes
2-methyl-4-chlorophenoxyacetic acid[no description available]medium10chlorophenoxyacetic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
synthetic auxin
arsanilic acid[no description available]medium10organoarsonic acid
3-aminobenzoic acid[no description available]medium10aminobenzoic acid
pyridostigmine bromide[no description available]medium10pyridinium salt
thiodipropionic acid[no description available]medium10dicarboxylic acid
imipramine hydrochloride[no description available]medium10hydrochlorideantidepressant
neostigmine bromide[no description available]medium10bromide salt
edrophonium chloride[no description available]medium10chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
maltol[no description available]medium104-pyranonesmetabolite
cinchophen[no description available]medium10quinolines
methapyrilene hydrochloride[no description available]medium10hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
phenazopyridine hydrochloride[no description available]medium10hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
tetrracaine hydrochloride[no description available]medium10benzoate ester
protocatechualdehyde[no description available]medium10dihydroxybenzaldehyde
20-alpha-dihydroprogesterone[no description available]medium1020-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite
2-chloroadenosine[no description available]medium10purine nucleoside
diphenhydramine hydrochloride[no description available]medium10hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
quinestrol[no description available]medium1017-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
tripelennamine hydrochloride[no description available]medium10
propantheline bromide[no description available]medium10xanthenes
chlormadinone acetate[no description available]medium10corticosteroid hormone
ethamivan[no description available]medium10methoxybenzenes;
phenols
pargyline hydrochloride[no description available]medium10
orphenadrine hydrochloride[no description available]medium10hydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
fluocinonide[no description available]medium10organic molecular entity
fluorometholone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
xanthinol niacinate[no description available]medium10
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
medroxyprogesterone[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive
tetrahydrozoline hydrochloride[no description available]medium10hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
1,2-naphthoquinone[no description available]medium101,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent
amitriptyline hydrochloride[no description available]medium10organic tricyclic compound
naphazoline hydrochloride[no description available]medium10organic molecular entity
4,4'-bipyridyl[no description available]medium10bipyridine
doxylamine succinate[no description available]medium10organic molecular entity
monoacetyldapsone[no description available]medium10acetamides;
anilide;
secondary carboxamide;
sulfone
formestane[no description available]medium1017-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
chlorotrianisene[no description available]medium10chloroalkeneantineoplastic agent;
estrogen receptor modulator;
xenoestrogen
aminacrine[no description available]medium10
isoxsuprine hydrochloride[no description available]medium10alkylbenzene
bethanechol chloride[no description available]medium10carbamate ester;
chloride salt;
quaternary ammonium salt		muscarinic agonist
megestrol acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
2-hydroxyacetanilide[no description available]medium10acetamides;
phenols		anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite
acetylcysteine[no description available]medium10acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
clopamide[no description available]medium10sulfonamide
phosmet[no description available]medium10organic thiophosphate;
organothiophosphate insecticide;
phthalimides		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
levonorgestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
malononitrile dimer[no description available]medium10
diphenyl disulfide[no description available]medium10benzenes
cyproheptadine hydrochloride (anhydrous)[no description available]medium10hydrochloride
estradiol valerate[no description available]medium10steroid ester
tetramethylpyrazine[no description available]medium10alkaloid;
pyrazines		antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
2,2'-dipyridylamine[no description available]medium10
pregnenolone carbonitrile[no description available]medium10aliphatic nitrile
flurandrenolone[no description available]medium1021-hydroxy steroid
diethylcarbamazine citrate[no description available]medium10piperazinecarboxamide
azacyclonol[no description available]medium10diarylmethane
5 alpha-androstane-3 alpha,17 beta-diol[no description available]medium10androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite
guaiacoxyacetic acid[no description available]medium10
methylene diphosphonate[no description available]medium101,1-bis(phosphonic acid)bone density conservation agent;
chelator
amiloride hydrochloride, anhydrous[no description available]medium10hydrochloridediuretic;
sodium channel blocker
pimozide[no description available]medium10benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
flumethasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug
azaribine[no description available]medium10acetate ester;
N-glycosyl-1,2,4-triazine		antipsoriatic;
prodrug
hydrocortisone hemisuccinate[no description available]medium10dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone
antazoline hydrochloride[no description available]medium10
mebeverine hydrochloride[no description available]medium10
stavudine[no description available]medium10dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
clidinium bromide[no description available]medium10
diloxanide furoate[no description available]medium10carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide		antiamoebic agent;
prodrug
nitroxoline[no description available]medium10C-nitro compound;
monohydroxyquinoline		antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent
cladribine[no description available]medium10organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
beclomethasone[no description available]medium1011beta-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
alverine citrate[no description available]medium10citrate salt;
organoammonium salt		antispasmodic drug;
cholinergic antagonist
cyclogyl[no description available]medium10
metoclopramide hydrochloride[no description available]medium10
isoetharine mesylate[no description available]medium10
6-nitroindazole[no description available]medium10
hydrocortisone-17-butyrate[no description available]medium10butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone		dermatologic drug;
drug allergen
benserazide hydrochloride[no description available]medium10hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pentamethylmelamine[no description available]medium10
eedq[no description available]medium10
ornidazole[no description available]medium10C-nitro compound;
imidazoles;
organochlorine compound;
secondary alcohol		antiamoebic agent;
antibacterial drug;
antiinfective agent;
antiprotozoal drug;
antitrichomonal drug;
epitope
tetridamin[no description available]medium10
metergoline[no description available]medium10carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist
capobenic acid[no description available]medium10benzamides
thymolphthalein[no description available]medium10terpene lactone
clobetasol propionate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug
frentizole[no description available]medium10
eterobarb[no description available]medium10barbiturates
oxcarbazepine[no description available]medium10cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
moricizine hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
proroxan hydrochloride[no description available]medium10
etomidate[no description available]medium10imidazoles
buspirone hydrochloride[no description available]medium10hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
propafenone hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug
bezafibrate[no description available]medium10aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
sq-11725[no description available]medium10
picobenzide[no description available]medium10
flecainide acetate[no description available]medium10acetate saltanti-arrhythmia drug
nicardipine hydrochloride[no description available]medium10dihydropyridinegeroprotector
triadimenol[no description available]medium10aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
captopril[no description available]medium10alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous[no description available]medium10
pergolide mesylate[no description available]medium10methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector
cerm-1978[no description available]medium10hydrochloride
dazoxiben hydrochloride[no description available]medium10
lovastatin[no description available]medium10delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
mifepristone[no description available]medium103-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
tobramycin sulfate[no description available]medium10
benzylaminopurine[no description available]medium106-aminopurinescytokinin;
plant metabolite
fluoxetine hydrochloride[no description available]medium10hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
diltiazem hydrochloride[no description available]medium10hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent
trazodone hydrochloride[no description available]medium10hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
verapamil hydrochloride[no description available]medium10
doxazosin mesylate[no description available]medium10methanesulfonate saltgeroprotector
amantadine hydrochloride[no description available]medium10hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist
norharman[no description available]medium10beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
desipramine hydrochloride[no description available]medium10hydrochloridedrug allergen
ticlopidine hydrochloride[no description available]medium10hydrochloride
dopamine hydrochloride[no description available]medium10catecholamine
sulconazole, mononitrate, (+-)-isomer[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
acetylcholine bromide[no description available]medium10bromide salt;
quaternary ammonium salt
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
tryptamide[no description available]medium10
trihexyphenidyl hydrochloride[no description available]medium10aralkylamine
oxyphencyclimine hydrochloride[no description available]medium10pyrimidines
thioridazine hydrochloride[no description available]medium10hydrochloridefirst generation antipsychotic;
geroprotector
diphenylpyraline hydrochloride[no description available]medium10hydrochloridecholinergic antagonist;
H1-receptor antagonist
procainamide hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug
siquil[no description available]medium10hydrochlorideanticoronaviral agent
mepivacaine hydrochloride[no description available]medium10hydrochloride;
piperidinecarboxamide		local anaesthetic
oxymetazoline hydrochloride[no description available]medium10hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
diphenidol hydrochloride[no description available]medium10diarylmethane
alprenolol hydrochloride[no description available]medium10hydrochloride
edoxudin[no description available]medium10pyrimidine 2'-deoxyribonucleoside
2-methoxyestradiol[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
6-ketoestradiol[no description available]medium10
17 beta-estradiol hemisuccinate[no description available]medium10
amizyl[no description available]medium10
salicylhydroxamic acid[no description available]medium10hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
1,7-phenanthroline[no description available]medium10phenanthroline
3-fluoro-4-hydroxyphenylacetic acid[no description available]medium10
dyclonine hydrochloride[no description available]medium10hydrochloridetopical anaesthetic
clomipramine hydrochloride[no description available]medium10hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug
prazosin hydrochloride[no description available]medium10hydrochloride
mianserin hydrochloride[no description available]medium10hydrochloridegeroprotector
miconazole nitrate[no description available]medium10
econazole nitrate[no description available]medium10
2,4-dimethoxybenzaldehyde[no description available]medium10
enrofloxacin[no description available]medium10cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent
clobetasone butyrate[no description available]medium10organic molecular entity
loxapine succinate[no description available]medium10succinate saltgeroprotector
guanfacine hydrochloride[no description available]medium10acetamidesgeroprotector
labetalol hydrochloride[no description available]medium10salicylamides
diflorasone diacetate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug;
antipruritic drug
acecainide hydrochloride[no description available]medium10
loperamide hydrochloride[no description available]medium10hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
maprotiline hydrochloride[no description available]medium10anthracenes
hydroxyzine dihydrochloride[no description available]medium10
betamipron[no description available]medium10organonitrogen compound;
organooxygen compound
secnidazole[no description available]medium10C-nitro compound;
imidazoles;
secondary alcohol		epitope
ergocornine[no description available]medium10ergot alkaloid
pramoxine hydrochloride[no description available]medium10aromatic ether
butyrylcholine chloride[no description available]medium10
1-benzylimidazole[no description available]medium10
chloropyramine hydrochloride[no description available]medium10
6-aminoindazole[no description available]medium10indazoles
5-aminoindazole[no description available]medium10
phentolamine mesylate[no description available]medium10
oxybutynin hydrochloride[no description available]medium10hydrochloride
2-methylhippuric acid[no description available]medium10N-acylglycinemetabolite
prilocaine hydrochloride[no description available]medium10hydrochloridelocal anaesthetic
meclizine hydrochloride[no description available]medium10
11-hydroxyprogesterone, (11alpha)-isomer[no description available]medium1011alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid
malic acid, (r)-isomer[no description available]medium10malic acid
21-deoxycortisol[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone		human blood serum metabolite;
mouse metabolite
estrone 3-methyl ether[no description available]medium10
e-250[no description available]medium10
rac-glycerol 1-monodecanoate[no description available]medium10rac-1-monoacylglycerol
nipecotic acid amide[no description available]medium10piperidinecarboxamide
levcromakalim[no description available]medium101-benzopyran
tachistin[no description available]medium10
cortisol octanoate[no description available]medium10corticosteroid hormone
armepavine[no description available]medium10
n(6)-phenyladenosine[no description available]medium10purine nucleoside
mizoribine[no description available]medium10imidazolesanticoronaviral agent
alphaxalone[no description available]medium10corticosteroid hormone
bicuculline methiodide[no description available]medium10
beta-carboline-3-carboxylic acid ethyl ester[no description available]medium10beta-carbolines
tryptoline[no description available]medium10beta-carbolines
gamma-fagarine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
betaxolol hydrochloride[no description available]medium10hydrochlorideantihypertensive agent;
beta-adrenergic antagonist
Zearalanone[no description available]medium10macrolide;
resorcinols
butethamate citrate[no description available]medium10
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol[no description available]medium10piperidines
gallopamil hydrochloride[no description available]medium10
histamine dihydrochloride[no description available]medium10
1,3-dimethylbenzimidazoline-2-thione[no description available]medium10
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium10leucine derivative
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer[no description available]medium10
dichloro-1,2-diaminocyclohexane platinum complex[no description available]medium10
1,4-di(2'-thienyl)-1,4-butadione[no description available]medium10
idazoxan hydrochloride[no description available]medium10
methyl 5-aminolevulinate hydrochloride[no description available]medium10hydrochlorideantineoplastic agent;
dermatologic drug;
photosensitizing agent;
prodrug
antazoline phosphate[no description available]medium10
pridinol mesylate[no description available]medium10
17 alpha-hydroxyprogesterone caproate[no description available]medium10corticosteroid hormone
atropine[no description available]medium10
5-fluorotryptamine monohydrochloride[no description available]medium10
piribedil mesylate[no description available]medium10
serc[no description available]medium10
procyclidine hydrochloride[no description available]medium10hydrochloride
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one[no description available]medium10macrolide
cortisone[no description available]medium1011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
equilin[no description available]medium1017-oxo steroid;
3-hydroxy steroid
adrenosterone[no description available]medium1011-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite
gossypol acetic acid[no description available]medium10
epinastine[no description available]medium10corticosteroid hormone
benzatropine methanesulfonate[no description available]medium10
2-hydroxyestradiol[no description available]medium1017beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
medrysone[no description available]medium10corticosteroid hormone
artisone acetate[no description available]medium10corticosteroid hormone
chondocurine (1beta)-(+-)-isomer[no description available]medium10aromatic ether
4-methoxyxanthone[no description available]medium10
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide[no description available]medium10amine
ouabain[no description available]medium1011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
mandelic acid, (s)-isomer[no description available]medium10(2S)-2-hydroxy monocarboxylic acid;
mandelic acid
tosylphenylalanyl chloromethyl ketone[no description available]medium10alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor
cortodoxone[no description available]medium10deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
acebutolol hydrochloride[no description available]medium10hydrochlorideanti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
amiodarone hydrochloride[no description available]medium10aromatic ketone
dicyclomine hydrochloride[no description available]medium10hydrochlorideantispasmodic drug;
muscarinic antagonist
nortriptyline hydrochloride[no description available]medium10organic tricyclic compoundgeroprotector
difluprednate[no description available]medium10butyrate ester;
corticosteroid hormone
dironyl[no description available]medium10organic molecular entity
vinpocetine[no description available]medium10alkaloidgeroprotector
amcinonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug
flumethasone pivalate[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
dihydroergocristine monomesylate[no description available]medium10methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent
tretinoin[no description available]medium10retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
resveratrol[no description available]medium10resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
adenosine-5'-(n-ethylcarboxamide)[no description available]medium10adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
histidyl-proline diketopiperazine[no description available]medium10dipeptide;
homodetic cyclic peptide;
imidazoles;
pyrrolopyrazine		anti-inflammatory agent;
dopamine uptake inhibitor;
human blood serum metabolite
afimoxifene[no description available]medium10phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
ketoconazole[no description available]medium10cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
aphidicolin[no description available]medium10tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite
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
maltitol[no description available]medium10alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent
chalcone[no description available]medium10chalconeEC 3.2.1.1 (alpha-amylase) inhibitor
thermospine[no description available]medium10
dibenzylidene acetone[no description available]medium10
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone[no description available]medium10cycloheptafuran
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester[no description available]medium102-methoxyethyl ester;
benzofurans
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid[no description available]medium10indolyl carboxylic acid
haplamine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
octotropine methylbromide[no description available]medium10
diethylstilbestrol dipropionate[no description available]medium10
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium10alkylbenzene
glycerylphosphorylcholine[no description available]medium10phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite
n-methylscopolamine nitrate[no description available]medium10
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
phenytoin sodium[no description available]medium10
nsc 4347[no description available]medium10
ipratropium bromide anhydrous[no description available]medium10
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide[no description available]medium10benzamides
methamilane methiodide[no description available]medium10
physostigmine salicylate[no description available]medium10azaheterocycle salicylate salt;
salicylates
pilocarpine nitrate[no description available]medium10
n(6)-cyclopentyladenosine[no description available]medium10
methylatropine nitrate[no description available]medium10
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid[no description available]medium10coumarins
prothionamide[no description available]medium10pyridines
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one[no description available]medium10benzoxazine
dienestrol[no description available]medium10
methylthiouracil[no description available]medium10pyrimidone
4-methoxy-N-(3-pyridinylmethyl)benzamide[no description available]medium10benzamides
caffeic acid[no description available]medium10caffeic acidgeroprotector;
mouse metabolite
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester[no description available]medium10coumarins
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide[no description available]medium10phthalimides
urocanic acid[no description available]medium10urocanic acidhuman metabolite
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone[no description available]medium10stilbenoid
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole[no description available]medium10oxadiazole;
ring assembly
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid[no description available]medium10psoralens
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione[no description available]medium10pyrimidotriazine
thiothixene[no description available]medium10N-methylpiperazineanticoronaviral agent
curcumin[no description available]medium10aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one[no description available]medium10pyridochromene
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester[no description available]medium10chromones
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid[no description available]medium10coumarins
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one[no description available]medium10coumarins
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone[no description available]medium10quinolines
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one[no description available]medium10coumarins
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide[no description available]medium10aromatic amide;
furans
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide[no description available]medium10quinolines
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide[no description available]medium10quinolines
cinnarizine[no description available]medium10diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone[no description available]medium10stilbenoid
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea[no description available]medium10benzothiazoles
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine[no description available]medium10dimethoxybenzene
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester[no description available]medium10flavones;
tert-butyl ester
ethylenethiourea[no description available]medium10imidazolidines
tacrine hydrochloride[no description available]medium10
p-aminosalicylic acid monosodium salt[no description available]medium10organic molecular entity
digoxin[no description available]medium10cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
mecysteine hydrochloride[no description available]medium10alpha-amino acid ester
ethionamide[no description available]medium10pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
2-(2-furanyl)-4-thiazolidinecarboxylic acid[no description available]medium10organonitrogen compound;
organooxygen compound
dihydrosamidine[no description available]medium10
N-(2-methoxycyclohexyl)-3,4-dimethylaniline[no description available]medium10methylbenzene
eskazine[no description available]medium10
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione[no description available]medium10methylbenzene
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester[no description available]medium10isopropyl ester;
piperazines
zeranol[no description available]medium10macrolide
monooctanoin[no description available]medium101-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol
trimethoprim[no description available]medium10
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid[no description available]medium10peptide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide[no description available]medium10dimethoxybenzene
3-acetyl-6-methyl-1H-quinolin-4-one[no description available]medium10quinolines
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone[no description available]medium10aryl sulfide
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide[no description available]medium10imidazolidines
Anthraniloyllycoctonine[no description available]medium10diterpene alkaloid
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide[no description available]medium10aromatic amide
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid[no description available]medium10harmala alkaloid
diclofenac sodium[no description available]medium10organic sodium salt
biochanin a[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
prostaglandin b1[no description available]medium10prostaglandins Bhuman metabolite
prostaglandin f1[no description available]medium10prostaglandins Falphahuman metabolite
pulmicort[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen
timolol maleate[no description available]medium10maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
brompheniramine maleate[no description available]medium10maleate saltanti-allergic agent
zearalenone[no description available]medium10macrolide;
resorcinols		fungal metabolite;
mycoestrogen
estriol 17-glucuronide[no description available]medium10steroid saponin
tranilast[no description available]medium10amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
4-hydroxyestradiol[no description available]medium104-hydroxy steroidmetabolite
menatetrenone[no description available]medium10menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent
xylometazoline hydrochloride[no description available]medium10
ketotifen fumarate[no description available]medium10organoammonium saltanti-asthmatic drug;
H1-receptor antagonist
dinoprost tromethamine[no description available]medium10organic molecular entity
hydrocortisone valerate[no description available]medium10cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester
prostaglandin f2 methyl ester[no description available]medium10prostanoid
2-bromoergocryptine mesylate[no description available]medium10
perhexiline maleate[no description available]medium10
phenoxybenzamine hydrochloride[no description available]medium10organic molecular entity
phenylephrine hydrochloride[no description available]medium10hydrochloride
mepyramine maleate[no description available]medium10
ethisterone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		drug metabolite;
progestin
nalmefene[no description available]medium10morphinane alkaloid
6alpha-hydroxy-17beta-estradiol[no description available]medium106alpha-hydroxy steroid
desoximetasone[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
cytochalasin b[no description available]medium10cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
u-44619[no description available]medium10
furazolidone[no description available]medium10
tyrphostin ag 555[no description available]medium10
nifuroxazide[no description available]medium10benzoic acids
molsidomine[no description available]medium10ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
rg 13022[no description available]medium10
styrylquinoline[no description available]medium102-styrylquinoline
kavain[no description available]medium10racemateglycine receptor antagonist
enalapril maleate[no description available]medium10maleate saltantihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
trimebutine maleate salt[no description available]medium10trihydroxybenzoic acid
vinblastine sulfate[no description available]medium10
vincristine sulfate[no description available]medium10
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one[no description available]medium10isoflavones
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid[no description available]medium10peptide
n-methylscopolamine bromide[no description available]medium10
naltrexone hydrochloride[no description available]medium10hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
guanabenz acetate[no description available]medium10dichlorobenzenegeroprotector
nylidrin hydrochloride[no description available]medium10alkylbenzene
triprolidine hydrochloride anhydrous[no description available]medium10hydrochlorideH1-receptor antagonist
phentolamine[no description available]medium10
fendiline hydrochloride[no description available]medium10
tiapridex[no description available]medium10benzamides
nab-365[no description available]medium10hydrochloridebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
dithiazanine iodide[no description available]medium10benzothiazoles;
organic iodide salt		anthelminthic drug;
fluorochrome
sinequan[no description available]medium10dibenzooxazepine
buflomedil hydrochloride[no description available]medium10aromatic ketone
moxisylyte hydrochloride[no description available]medium10monoterpenoid
dirithromycin[no description available]medium10macrolide antibioticprodrug
fluphenazine[no description available]medium10
homochlorocyclizine monohydrochloride[no description available]medium10
butoxamine hydrochloride[no description available]medium10
scopolamine hydrobromide[no description available]medium10
protriptyline hydrochloride[no description available]medium10hydrochlorideantidepressant
emetine hydrochloride[no description available]medium10
epinephrine bitartrate[no description available]medium10
bicuculline methobromide[no description available]medium10
6 beta-hydroxycortisol[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mammalian metabolite;
probe
butylscopolammonium bromide[no description available]medium10
androst-16-en-3-one[no description available]medium103-oxo steroid;
androstanoid		mammalian metabolite;
pheromone
butaclamol hydrochloride[no description available]medium10
dihydroouabain[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
radiosensitizing agent
LSM-6455[no description available]medium10peptide ergot alkaloid
estradiol 17-acetate[no description available]medium10steroid ester
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione[no description available]medium10pyrrolidines
3-morpholino-sydnonimine monohydrochloride[no description available]medium10
cefotaxime sodium[no description available]medium10organic sodium salt
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine[no description available]medium10pyrazoles;
ring assembly
bucladesine[no description available]medium103',5'-cyclic purine nucleotide
ampicillin sodium[no description available]medium10organic sodium salt
penicillin g potassium[no description available]medium10organic potassium salt
piperacillin sodium[no description available]medium10organic sodium salt
cefoxitin sodium[no description available]medium10organic molecular entity
nafcillin sodium[no description available]medium10organic sodium salt
cefamandole nafate[no description available]medium10organic sodium saltantibacterial drug
sodium diatrizoate[no description available]medium10organic sodium salt;
organoiodine compound		radioopaque medium
estrone sulfate, potassium salt[no description available]medium10
cefazolin sodium[no description available]medium10organic sodium salt
naproxen sodium[no description available]medium10organic sodium saltantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
oxytetracycline, anhydrous[no description available]medium10
piroxicam[no description available]medium10benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
acenocoumarol[no description available]medium10C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
mobiflex[no description available]medium10heteroaryl 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 hydrochloride[no description available]medium10
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
inosine[no description available]medium10inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
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
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
kf38789[no description available]medium10
allopurinol[no description available]medium10nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
pralidoxime iodide[no description available]medium10organic iodide salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator
pralidoxime chloride[no description available]medium10organic chloride salt;
pyridinium salt		cholinergic drug;
cholinesterase reactivator
7,8-dihydroxyflavone[no description available]low00dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
baicalin[no description available]low00dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
xanthomicrol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite
eupatorin[no description available]low00dihydroxyflavone;
polyphenol;
trimethoxyflavone		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
Brassica napus metabolite;
calcium channel blocker;
P450 inhibitor;
vasodilator agent
swertisin[no description available]low00dihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone;
monosaccharide derivative;
polyphenol		adenosine A1 receptor antagonist;
anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite
skullcapflavone ii[no description available]low00dihydroxyflavone;
tetramethoxyflavone		anti-asthmatic drug;
plant metabolite
spinosin[no description available]low00dihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone		anxiolytic drug;
plant metabolite
cirsilineol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antineoplastic agent;
plant metabolite
4',6-dihydroxyflavone[no description available]low00dihydroxyflavone
cirsimaritin[no description available]low00dihydroxyflavone;
dimethoxyflavone
saponarin[no description available]low00C-glycosyl compound;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		metabolite
6-prenylchrysin[no description available]low007-hydroxyflavonol;
dihydroxyflavone
sideroxylin[no description available]low00dihydroxyflavone;
monomethoxyflavone		plant metabolite
ladanein[no description available]low00dihydroxyflavone;
dimethoxyflavone		antiviral agent;
plant metabolite;
radical scavenger
acacetin[no description available]low00dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite
apigetrin[no description available]low00beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative		antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
apiin[no description available]low00beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone		EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite
chrysin[no description available]low007-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
genkwanin[no description available]low00dihydroxyflavone;
monomethoxyflavone		metabolite
pachypodol[no description available]low00dihydroxyflavone;
trimethoxyflavone		antiemetic;
plant metabolite
robinin[no description available]low00dihydroxyflavone;
glycosyloxyflavone		plant metabolite
santin[no description available]low00dihydroxyflavone;
trimethoxyflavone		plant metabolite
wogonin[no description available]low00dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
4',7-dihydroxyflavone[no description available]low00dihydroxyflavonemetabolite
rhoifolin[no description available]low00dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite
alvocidib[no description available]low00dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
casticin[no description available]low00dihydroxyflavone;
tetramethoxyflavone		apoptosis inducer;
plant metabolite
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one[no description available]low00dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor
3',4',5'-O-trimethyltricetin[no description available]low003',5'-dimethoxyflavone;
dihydroxyflavone;
trimethoxyflavone
5,4'-dihydroxy-7,3'-dimethoxyflavone[no description available]low00dihydroxyflavone;
dimethoxyflavone		anti-allergic agent;
anti-inflammatory agent;
antibacterial agent;
antioxidant;
melanin synthesis inhibitor;
plant metabolite
lespenefril[no description available]low00alpha-L-rhamnoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative;
polyphenol		anti-inflammatory agent;
antidepressant;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
hypoglycemic agent;
immunomodulator;
plant metabolite
5,7-dimethoxyflavone[no description available]low00dimethoxyflavoneplant metabolite
cirsiliol[no description available]low00dimethoxyflavone;
trihydroxyflavone		plant metabolite
pectolinarin[no description available]low00dimethoxyflavone;
disaccharide derivative;
glycosyloxyflavone;
monohydroxyflavanone;
rutinoside		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite
3,7-dimethoxy-5,3',4'-trihydroxyflavone[no description available]low00dimethoxyflavone;
trihydroxyflavone		EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
apigenin dimethylether[no description available]low00dimethoxyflavone;
monohydroxyflavone		plant metabolite
axillarin[no description available]low00dimethoxyflavone;
tetrahydroxyflavone		plant metabolite
tricin[no description available]low003'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite
syringetin[no description available]low003',5'-dimethoxyflavone;
3'-methoxyflavones;
7-hydroxyflavonol;
dimethoxyflavone;
tetrahydroxyflavone		metabolite;
platelet aggregation inhibitor
3,3'-di-o-methylquercetin[no description available]low003'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
rhamnazin[no description available]low00aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone		antineoplastic agent;
plant metabolite
jaceosidin[no description available]low00dimethoxyflavone;
trihydroxyflavone		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Cystic Fibrosis0low10
Cystic Fibrosis of Pancreas0low10
Fibrocystic Disease of Pancreas0low10
Inflammation0low10
Innate Inflammatory Response0low10
Mucoviscidosis0low10
Pancreatic Cystic Fibrosis0low10
Pulmonary Cystic Fibrosis0low10

Research Highlights

Safety/Toxicity (1)

ArticleYear
Structure-activity requirements for flavone cytotoxicity and binding to tubulin.
Journal of medicinal chemistry, Jun-18, Volume: 41, Issue: 13		1998
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]