Compounds > 5,6-didehydrosparteine
Page last updated: 2024-09-26

5,6-didehydrosparteine

Description

5-dehydrosparteine: urinary metabolite of sparteine; RN given refers to (7S-(7alpha,14alpha,14abeta))-isomer [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

5,6-didehydrosparteine : A quinolizidine alkaloid obtained by formal dehydrogenation at the 5,6-position of sparteine. It is a metabolite of sparteine found in human urine and plasma. [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 CID160614
CHEBI ID143195
SCHEMBL ID11352489
MeSH IDM0130372

Synonyms (11)

Synonym
5-dehydrosparteine
5,6-didehydrosparteine
CHEBI:143195
2130-67-8
(7s,14s,14as)-1,3,4,7,9,10,11,13,14,14a-decahydro-2h,6h-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine
5,6-ddhsp
7,14-methano-2h,6h-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, 1,3,4,7,9,10,11,13,14,14a-decahydro-, (7s-(7alpha,14alpha,14abeta))-
SCHEMBL11352489
5,6-dehydrospartein
DTXSID20943804
(1s,9s,10s)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene

Roles (1)

RoleDescription
human xenobiotic metaboliteAny human metabolite produced by metabolism of a xenobiotic compound in humans.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (3)

ClassDescription
quinolizidine alkaloid
tertiary amino compoundA compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups.
organic heterotetracyclic compound
[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]

Research

Studies (11)

TimeframeStudies, This Drug (%)All Drugs %
pre-19907 (63.64)18.7374
1990's3 (27.27)18.2507
2000's1 (9.09)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials1 (9.09%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other10 (90.91%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
2-dehydrosparteine[no description available]medium90quinolizidine alkaloid
2-dehydrosparteine[no description available]medium91quinolizidine alkaloid
aprindine[no description available]medium10indanes
debrisoquin[no description available]medium20carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
propafenone[no description available]medium10aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
quinidine[no description available]medium10cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
tropisetron[no description available]medium11indolyl carboxylic acid
antipyrine[no description available]medium10pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
rifampin[no description available]medium10cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
phenobarbital[no description available]medium10barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
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
phenformin[no description available]medium10biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
4-hydroxydebrisoquin[no description available]medium10carboxamidine;
isoquinolines;
secondary alcohol		metabolite
4-hydroxyphenformin[no description available]medium10
2,3-dihydroxybenzoic acid[no description available]low00dihydroxybenzoic acidhuman xenobiotic metabolite;
plant metabolite
2,5-dichlorophenol[no description available]low00dichlorophenolhuman xenobiotic metabolite
protocatechuic acid[no description available]low00catechols;
dihydroxybenzoic acid		antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite
dihydro-3-coumaric acid[no description available]low00monocarboxylic acidEscherichia coli metabolite;
human xenobiotic metabolite
2-(3-pyridine)acetic acid[no description available]low00monocarboxylic acid;
pyridines		human xenobiotic metabolite
adipic acid[no description available]low00alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		food acidity regulator;
human xenobiotic metabolite
benzoic acid[no description available]low00benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
2-cresol[no description available]low00cresolhuman xenobiotic metabolite
3-cresol[no description available]low00cresolhuman xenobiotic metabolite
gallic acid[no description available]low00trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
diethyl phosphate[no description available]low00dialkyl phosphatehuman xenobiotic metabolite;
mouse metabolite
o,o-diethyl phosphorothionate[no description available]low00organic thiophosphatehuman xenobiotic metabolite;
mouse metabolite
hydroquinone[no description available]low00benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
melilotic acid[no description available]low00monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
norepinephrine, (+,-)-isomer[no description available]low00catecholaminehuman xenobiotic metabolite
4-nitrophenol[no description available]low004-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
pentachlorophenol[no description available]low00aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
phenol[no description available]low00phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
phthalic acid[no description available]low00benzenedicarboxylic acidhuman xenobiotic metabolite
propylene glycol[no description available]low00glycol;
propane-1,2-diols		allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent
trimethylamine[no description available]low00methylamines;
tertiary amine		Escherichia coli metabolite;
human xenobiotic metabolite
mandelic acid[no description available]low002-hydroxy monocarboxylic acid;
benzenes		antibacterial agent;
human xenobiotic metabolite
dichlorodiphenyl dichloroethylene[no description available]low00chlorophenylethylene;
monochlorobenzenes		human xenobiotic metabolite;
persistent organic pollutant
quinone[no description available]low001,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
1,7-dimethylxanthine[no description available]low00dimethylxanthinecentral nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite
psilocin[no description available]medium00hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid		drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist
estriol[no description available]low0016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
phenylalanine[no description available]low00amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
tert-butyl alcohol[no description available]low00tertiary alcoholhuman xenobiotic metabolite
trifluoroacetic acid[no description available]low00fluoroalkanoic acidhuman xenobiotic metabolite;
NMR chemical shift reference compound;
reagent
2-furoic acid[no description available]low00furoic acidbacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae metabolite
1-naphthol[no description available]low00naphtholgenotoxin;
human xenobiotic metabolite
2-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		human xenobiotic metabolite
benzohydrol[no description available]low00benzyl alcohols;
secondary alcohol		bacterial xenobiotic metabolite;
human urinary metabolite;
human xenobiotic metabolite;
rat metabolite
(3,4-dimethoxyphenyl)acetic acid[no description available]low00dimethoxybenzene;
phenylacetic acids		human urinary metabolite;
human xenobiotic metabolite
styrene oxide[no description available]low00epoxidehuman xenobiotic metabolite
3-toluic acid[no description available]low00methylbenzoic acidhuman xenobiotic metabolite
gamma-terpinene[no description available]low00cyclohexadiene;
monoterpene		antioxidant;
human xenobiotic metabolite;
plant metabolite;
volatile oil component
cyclamic acid[no description available]low00sulfamic acidsenvironmental contaminant;
human xenobiotic metabolite
4-bromophenol[no description available]low00bromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
acrolein[no description available]low00enalherbicide;
human xenobiotic metabolite;
toxin
gamma-valerolactone[no description available]low00butan-4-olideflavouring agent;
human xenobiotic metabolite
cyclohexanone[no description available]low00cyclohexanoneshuman xenobiotic metabolite
2,5-hexanedione[no description available]low00diketone;
methyl ketone		human xenobiotic metabolite;
neurotoxin
diethanolamine[no description available]low00ethanolamineshuman xenobiotic metabolite
3,4,5-trimethoxybenzoic acid[no description available]low00benzoic acids;
methoxybenzenes		human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
3-tert-butyl-4-hydroxyanisole[no description available]low00aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite
1-naphthylamine[no description available]low00naphthylaminehuman xenobiotic metabolite
2-naphthol[no description available]low00naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
salicylurate[no description available]low00N-acylglycine;
secondary carboxamide		human xenobiotic metabolite;
uremic toxin
indole-3-carbaldehyde[no description available]low00heteroarenecarbaldehyde;
indole alkaloid;
indoles		bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite
hydratropic acid[no description available]low002-arylpropionic acidhuman xenobiotic metabolite
tropic acid[no description available]low003-hydroxy monocarboxylic acidhuman xenobiotic metabolite
2-hydroxyisobutyric acid[no description available]low002-hydroxy monocarboxylic acidhuman xenobiotic metabolite
mandelic acid, (r)-isomer[no description available]low00mandelic acidhuman xenobiotic metabolite
phenylglyoxylic acid[no description available]low002-oxo monocarboxylic acidbiomarker;
human xenobiotic metabolite
2-phenyl-2-propanol[no description available]low00benzyl alcohols;
tertiary alcohol		human xenobiotic metabolite;
Mycoplasma genitalium metabolite
3-hydroxybenzeneacetic acid[no description available]low00monocarboxylic acid;
phenols		human xenobiotic metabolite
methoxyacetic acid[no description available]low00ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
dihydroferulic acid[no description available]low00guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
1,6-diaminohexane[no description available]low00alkane-alpha,omega-diaminehuman xenobiotic metabolite
phenoxyacetic acid[no description available]low00aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant
3-phenoxybenzoic acid[no description available]low00phenoxybenzoic acidhuman xenobiotic metabolite;
marine xenobiotic metabolite
3,5,6-trichloro-2-pyridinol[no description available]low00chloropyridine;
hydroxypyridine;
pyridone		human urinary metabolite;
human xenobiotic metabolite;
marine xenobiotic metabolite
dimethyldiselenide[no description available]low00organoselenium compoundbacterial metabolite;
human xenobiotic metabolite;
mammalian metabolite;
plant metabolite
estetrol[no description available]low0015alpha-hydroxy steroid;
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid;
steroid hormone		estrogen receptor agonist;
estrogen;
human metabolite;
human xenobiotic metabolite;
oral contraceptive
4-heptanone[no description available]low00dialkyl ketonebiomarker;
human urinary metabolite;
human xenobiotic metabolite;
rat metabolite
1-methyl-4-phenylpyridinium[no description available]low00pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
4-vinylphenol[no description available]low00phenolshuman urinary metabolite;
human xenobiotic metabolite
7-hydroxydehydroepiandrosterone[no description available]low0017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid;
androstanoid		anti-inflammatory agent;
antioxidant;
estrogen;
human xenobiotic metabolite;
rat metabolite
7-methylxanthine[no description available]low00oxopurine;
purine alkaloid		human xenobiotic metabolite;
mouse metabolite;
plant metabolite
1,3,5-trimethoxybenzene[no description available]low00methoxybenzenesbiomarker;
human xenobiotic metabolite
1-methyluric acid[no description available]low00oxopurinehuman xenobiotic metabolite;
mouse metabolite
6-methylthioguanine[no description available]low002-aminopurines;
thiopurine		human xenobiotic metabolite
phenylsulfate[no description available]low00aryl sulfatehuman xenobiotic metabolite
1,3,7,9-tetramethyluric acid[no description available]low00oxopurine;
purine alkaloid		analgesic;
anti-inflammatory agent;
human xenobiotic metabolite;
plant metabolite
mono-n-octyl phthalate[no description available]low00phthalic acid monoesterhuman xenobiotic metabolite
1,3,7-trimethylurate[no description available]low00oxopurinehuman blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite
n-hydroxy-4-aminobiphenyl[no description available]low00aminobiphenyl;
N-substituted amine		carcinogenic agent;
human xenobiotic metabolite
4-methylumbelliferyl sulfate[no description available]low00aryl sulfate;
coumarins		human xenobiotic metabolite
trimethylselenonium[no description available]low00organic cationhuman xenobiotic metabolite
1,7-dimethyluric acid[no description available]low00oxopurinehuman xenobiotic metabolite;
mouse metabolite
aspartyl-phenylalanine[no description available]low00dipeptidehuman blood serum metabolite;
human xenobiotic metabolite
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid[no description available]low00alpha-amino acid;
aromatic amino acid;
beta-carboline alkaloid		human urinary metabolite;
human xenobiotic metabolite;
plant metabolite;
rat metabolite
aflatoxin q1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human xenobiotic metabolite
androsta-1,4,6-triene-3,17-dione[no description available]low0017-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
androstanoid		EC 1.14.14.14 (aromatase) inhibitor;
human xenobiotic metabolite
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine[no description available]low00hydroxylamine;
imidazopyridine		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite
11-hydroxytestosterone[no description available]low0011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid		bacterial xenobiotic metabolite;
human xenobiotic metabolite;
marine metabolite
mono(2-ethyl-5-oxohexyl)phthalate[no description available]low00methyl ketone;
phthalic acid monoester		human urinary metabolite;
human xenobiotic metabolite
eseroline[no description available]low00phenols;
pyrroloindole		human xenobiotic metabolite;
opioid analgesic
2-(s-glutathionyl)hydroquinone[no description available]low00aryl sulfide;
glutathione conjugate;
hydroquinones		human xenobiotic metabolite;
nephrotoxic agent
tyramine o-sulfate[no description available]low00aryl sulfate;
primary amino compound;
zwitterion		human urinary metabolite;
human xenobiotic metabolite
methanearsonous acid[no description available]low00arsonous acids;
one-carbon compound		carcinogenic agent;
human xenobiotic metabolite;
poison
methylselenic acid[no description available]low00one-carbon compound;
organoselenium compound		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
human xenobiotic metabolite
glycyrrhetyl 3-monoglucuronide[no description available]low00beta-D-glucosiduronic acid;
enone;
monosaccharide derivative;
oxo dicarboxylic acid;
pentacyclic triterpenoid;
triterpenoid saponin		anti-allergic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human xenobiotic metabolite;
plant metabolite;
sweetening agent
13,14-dihydro-15-ketoprostaglandin e1[no description available]low00prostaglandins Ehuman xenobiotic metabolite
mono(2-ethyl-5-hydroxyhexyl) phthalate[no description available]low00phthalic acid monoesterhuman urinary metabolite;
human xenobiotic metabolite
n(4)-hydroxycytidine[no description available]low00ketoxime;
nucleoside analogue		anticoronaviral agent;
antiviral agent;
drug metabolite;
human xenobiotic metabolite
(-)-gallocatechin gallate[no description available]low00catechin;
gallate ester;
polyphenol		antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite
hydroxydione[no description available]low0020-oxo steroid;
21-hydroxy steroid;
3-oxo-5beta-steroid;
primary alpha-hydroxy ketone		human xenobiotic metabolite
3,4-dihydroxyphenylpropionic acid[no description available]low00(dihydroxyphenyl)propanoic acidantioxidant;
human xenobiotic metabolite
indole-3-acetonitrile[no description available]low00indoles;
nitrile		auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite
3,4-didehydroretinoic acid[no description available]low00retinoid;
vitamin A		human xenobiotic metabolite
benzoylecgonine[no description available]low00benzoate ester;
tropane alkaloid		epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite
sodium benzoate[no description available]low00organic sodium saltalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
11-hydroxy-delta(9)-tetrahydrocannabinol[no description available]low00phytocannabinoidhuman xenobiotic metabolite
cotinine[no description available]low00N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
n-methylthiourea[no description available]low00thioureasdrug metabolite;
hepatotoxic agent;
human xenobiotic metabolite
4-nitrocatechol[no description available]low00C-nitro compound;
catechols		human xenobiotic metabolite;
lipoxygenase inhibitor
hydroxypioglitazone[no description available]low00aromatic ether;
pyridines;
thiazolidinediones		human xenobiotic metabolite
retinol palmitate[no description available]low00all-trans-retinyl ester;
retinyl palmitate		antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite
kaempferol[no description available]low007-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
leukotriene b5[no description available]low00dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		anti-inflammatory agent;
human xenobiotic metabolite;
rat metabolite
5,15-dihydroxy-6,8,11,13-eicosatetraenoic acid[no description available]low00dihydroxyicosatetraenoic acidhuman xenobiotic metabolite;
rat metabolite
arachidonic acid 5-hydroperoxide[no description available]low00HPETEhuman xenobiotic metabolite
muconic acid[no description available]low00muconic acidbiomarker;
human xenobiotic metabolite
ethyl arachidonate[no description available]low00long-chain fatty acid ethyl esterhuman blood serum metabolite;
human xenobiotic metabolite
trandolaprilat[no description available]low00dicarboxylic acid;
dipeptide;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
human xenobiotic metabolite
25-hydroxyvitamin d 2[no description available]low00hydroxycalciol;
seco-ergostane;
vitamin D		bone density conservation agent;
human xenobiotic metabolite;
nutraceutical
vitamin a2[no description available]low00retinoid;
vitamin A		human xenobiotic metabolite;
marine xenobiotic metabolite;
mouse metabolite
4-oxoretinoic acid[no description available]low00enone;
retinoid		human xenobiotic metabolite
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid[no description available]low00HPETEhuman xenobiotic metabolite
5-oxo-15-hydroxy-6,8,11,13-eicosatetraenoic acid[no description available]low00enone;
hydroxy polyunsaturated fatty acid;
icosanoid;
long-chain fatty acid;
oxo fatty acid;
secondary allylic alcohol		human xenobiotic metabolite
5,12-dihydroxy-6,8,14-eicosatrienoic acid[no description available]low00dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human urinary metabolite;
human xenobiotic metabolite
17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid[no description available]low00hydroxydocosahexaenoic acid;
secondary allylic alcohol		human xenobiotic metabolite
riddelliine n-oxide[no description available]low00diol;
macrocyclic lactone;
olefinic compound;
organic heterotricyclic compound;
primary alcohol;
pyrrolizine alkaloid;
tertiary alcohol;
tertiary amine oxide		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
Jacobaea metabolite;
mutagen;
rat metabolite
meso-zeaxanthin[no description available]low00carotenolanti-inflammatory agent;
antioxidant;
human xenobiotic metabolite;
marine metabolite
13(S)-HODE[no description available]low00HODEantineoplastic agent;
human xenobiotic metabolite;
mouse metabolite
3-hydroxyphenylacetate[no description available]low00hydroxy monocarboxylic acid anionhuman xenobiotic metabolite
1,25-dihydroxyergocalciferol[no description available]low00hydroxycalciol;
seco-ergostane;
vitamin D		bone density conservation agent;
human xenobiotic metabolite;
nutraceutical
demethylmirtazapine[no description available]low00benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
human xenobiotic metabolite;
serotonergic antagonist
5s,12r,18r-trihydroxy-6z,8e,10e,14z,16e-eicosapentaenoic acid[no description available]low00hydroxy polyunsaturated fatty acid;
long-chain fatty acid;
nonclassic icosanoid;
resolvin;
triol		anti-inflammatory agent;
human xenobiotic metabolite
resolvin d2[no description available]low00hydroxy polyunsaturated fatty acid;
resolvin;
secondary allylic alcohol;
triol		anti-inflammatory agent;
anti-obesity agent;
estrogen receptor agonist;
human xenobiotic metabolite;
rat metabolite
aflatoxin m1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite
protectin d1[no description available]low00dihydroxydocosahexaenoic acid;
protectin;
secondary allylic alcohol		anti-inflammatory agent;
apoptosis inhibitor;
hepatoprotective agent;
human xenobiotic metabolite;
neuroprotective agent;
PPARgamma agonist;
specialised pro-resolving mediator
resolvin e2[no description available]low00diol;
hydroxy polyunsaturated fatty acid;
resolvin;
secondary allylic alcohol		anti-inflammatory agent;
human xenobiotic metabolite;
rat metabolite
11,12-epoxy-5,8,14-eicosatrienoic acid[no description available]low0011,12-EEThuman xenobiotic metabolite
resolvin D4[no description available]low00hydroxy polyunsaturated fatty acid;
resolvin;
secondary allylic alcohol;
triol		anti-inflammatory agent;
human xenobiotic metabolite
resolvin d3[no description available]low00hydroxy polyunsaturated fatty acid;
resolvin;
secondary allylic alcohol;
triol		anti-inflammatory agent;
human xenobiotic metabolite
2-hydroxyatrazine[no description available]low00diamino-1,3,5-triazine;
monohydroxy-1,3,5-triazine		human xenobiotic metabolite;
marine xenobiotic metabolite
lupinine[no description available]low00quinolizidine alkaloid
lupanine[no description available]low00delta-lactam;
quinolizidine alkaloid;
tertiary amine
sparteine[no description available]low00quinolizidine alkaloid fundamental parent;
quinolizidine alkaloid
N-(4-chlorophenoxy)sulfonylcarbamic acid [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester[no description available]low00quinolizidine alkaloid
lycopodine[no description available]low00quinolizidine alkaloid
quinacrine[no description available]low00acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
8-hydroxy-2-(di-n-propylamino)tetralin[no description available]low00phenols;
tertiary amino compound;
tetralins		serotonergic antagonist
sk&f 77434[no description available]low00benzazepine;
catechols;
tertiary amino compound		dopamine agonist
pd 173074[no description available]low00aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
ethylisopropylamiloride[no description available]low00aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker
methylbufotenin[no description available]low00aromatic ether;
tertiary amino compound;
tryptamine alkaloid		hallucinogen;
plant metabolite
ro 48-8071[no description available]low00aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound		antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor
amiodarone[no description available]low001-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amodiaquine[no description available]low00aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
antazoline[no description available]low00aromatic amine;
imidazolines;
tertiary amino compound		cholinergic antagonist;
H1-receptor antagonist;
xenobiotic
azelastine[no description available]low00monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
benefin[no description available]low00C-nitro compound;
organofluorine compound;
substituted aniline;
tertiary amino compound		agrochemical;
herbicide
biperiden[no description available]low00piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bromhexine[no description available]low00organobromine compound;
substituted aniline;
tertiary amino compound		mucolytic
bromodiphenhydramine[no description available]low00organobromine compound;
tertiary amino compound		antimicrobial agent;
H1-receptor antagonist;
muscarinic antagonist
bupivacaine[no description available]low00aromatic amide;
piperidinecarboxamide;
tertiary amino compound
verapamil[no description available]low00aromatic ether;
nitrile;
polyether;
tertiary amino compound
carbinoxamine[no description available]low00monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
chlorambucil[no description available]low00aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chloroquine[no description available]low00aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorpheniramine[no description available]low00monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
citalopram[no description available]low002-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clofedanol[no description available]low00diarylmethane;
tertiary amino compound		antitussive
cyclopentolate[no description available]low00carboxylic ester;
tertiary alcohol;
tertiary amino compound		diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic
cycrimine[no description available]low00piperidines;
tertiary alcohol;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
dibucaine[no description available]low00aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic
dilacor xr[no description available]low00acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound
diphenhydramine[no description available]low00ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
dipyridamole[no description available]low00piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disopyramide[no description available]low00monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol[no description available]low00benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound
doxepin[no description available]low00dibenzooxepine;
tertiary amino compound		antidepressant
profenamine[no description available]low00phenothiazines;
tertiary amino compound		adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
flavoxate[no description available]low00carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
flurazepam[no description available]low001,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound		anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative
vanoxerine[no description available]low00ether;
N-alkylpiperazine;
organofluorine compound;
tertiary amino compound		dopamine uptake inhibitor
gbr 12935[no description available]low00ether;
N-alkylpiperazine;
tertiary amino compound		dopamine uptake inhibitor
hydroxychloroquine[no description available]low00aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
lidocaine[no description available]low00benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
isothipendyl[no description available]low00aromatic amine;
tertiary amino compound
ketotifen[no description available]low00cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist
lofepramine[no description available]low00aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide[no description available]low00benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
meperidine[no description available]low00ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mesoridazine[no description available]low00phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
methadone[no description available]low00benzenes;
diarylmethane;
ketone;
tertiary amino compound
methiothepin[no description available]low00aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist
metoclopramide[no description available]low00benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
minoxidil[no description available]low00dialkylarylamine;
tertiary amino compound
monodansylcadaverine[no description available]low00aminonaphthalene;
primary amino compound;
sulfonamide;
tertiary amino compound		EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor;
fluorochrome;
protective agent
mosapramine[no description available]low00azaspiro compound;
dibenzoazepine;
organochlorine compound;
tertiary amino compound
clorgyline[no description available]low00aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound		antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
nefopam[no description available]low00benzoxazocine;
tertiary amino compound
nicardipine[no description available]low00benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nizatidine[no description available]low001,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
orphenadrine[no description available]low00ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
benoxinate[no description available]low00amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound		drug allergen;
local anaesthetic;
topical anaesthetic
oxybutynin[no description available]low00acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
pheniramine[no description available]low00pyridines;
tertiary amino compound
pipamperone[no description available]low00aromatic ketone;
bipiperidines;
monocarboxylic acid amide;
organofluorine compound;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
piromidic acid[no description available]low00monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound		antibacterial drug;
DNA synthesis inhibitor
pj-34[no description available]low00phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent
procaine[no description available]low00benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
propiomazine[no description available]low00aromatic ketone;
phenothiazines;
tertiary amino compound		dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist
7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol[no description available]low00benzazepine;
organochlorine compound;
tertiary amino compound		dopaminergic antagonist
setiptiline[no description available]low00tertiary amino compound;
tetracyclic antidepressant		alpha-adrenergic antagonist;
serotonergic antagonist
sibutramine[no description available]low00organochlorine compound;
tertiary amino compound		anti-obesity agent;
serotonin uptake inhibitor
spiperone[no description available]low00aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
tetracaine[no description available]low00benzoate ester;
tertiary amino compound		local anaesthetic
tilorone[no description available]low00aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound		anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
tosufloxacin[no description available]low001,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine[no description available]low00N-substituted diamine;
pyridines;
tertiary amino compound		apoptosis inducer;
chelator;
copper chelator
ultram[no description available]low00aromatic ether;
tertiary alcohol;
tertiary amino compound
trimethobenzamide[no description available]low00benzamides;
tertiary amino compound		antiemetic
trimipramine[no description available]low00dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
venlafaxine[no description available]low00cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
zotepine[no description available]low00dibenzothiepine;
tertiary amino compound		alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
phentolamine[no description available]low00imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
vincristine[no description available]low00acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
aminopyrine[no description available]low00pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
tetrabenazine[no description available]low00benzoquinolizine;
cyclic ketone;
tertiary amino compound
acepromazine[no description available]low00aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound		phenothiazine antipsychotic drug
egtazic acid[no description available]low00diether;
tertiary amino compound;
tetracarboxylic acid		chelator
gramine[no description available]low00aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
thenyldiamine[no description available]low00dialkylarylamine;
tertiary amino compound
4-(dimethylamino)benzaldehyde[no description available]low00benzaldehydes;
substituted aniline;
tertiary amino compound		chromogenic compound
2-diethylaminoethanol[no description available]low00ethanolamines;
primary alcohol;
tertiary amino compound
triethanolamine[no description available]low00amino alcohol;
tertiary amino compound;
triol		buffer;
surfactant
4-nitrosodimethylaniline[no description available]low00dimethylaniline;
nitroso compound;
tertiary amino compound
triethylenediamine[no description available]low00bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound		antioxidant;
catalyst;
reagent
galantamine[no description available]low00benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
beta-erythroidine[no description available]low00delta-lactone;
indole alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		muscle relaxant;
plant metabolite
psilocybin[no description available]low00organic phosphate;
tertiary amino compound;
tryptamine alkaloid		fungal metabolite;
hallucinogen;
prodrug;
serotonergic agonist
neutral red base[no description available]low00aromatic amine;
phenazines;
primary amino compound;
tertiary amino compound		acid-base indicator;
dye;
two-colour indicator
benzydamine[no description available]low00aromatic ether;
indazoles;
tertiary amino compound		analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug
4-dimethylaminopyridine[no description available]low00dialkylarylamine;
tertiary amino compound
prothipendyl[no description available]low00aromatic amine;
tertiary amino compound
dymanthine[no description available]low00tertiary amino compound
azaperone[no description available]low00aminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist
glaucine[no description available]low00aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound		antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite
glyphosphine[no description available]low00glycine derivative;
phosphonic acids;
tertiary amino compound		plant growth retardant
c.i. solvent yellow 56[no description available]low00azobenzenes;
substituted aniline;
tertiary amino compound		dye;
mutagen
4-dimethylaminophenol[no description available]low00dialkylarylamine;
tertiary amino compound
ethyl 4-dimethylaminobenzoate[no description available]low00benzoate ester;
ethyl ester;
tertiary amino compound
mopidamol[no description available]low00dialkylarylamine;
tertiary amino compound
thenalidine[no description available]low00dialkylarylamine;
tertiary amino compound
oryzalin[no description available]low00aromatic amine;
C-nitro compound;
sulfonamide;
tertiary amino compound		agrochemical;
antimitotic;
herbicide
pirimicarb[no description available]low00aminopyrimidine;
carbamate ester;
tertiary amino compound		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
dihydro-beta-erythroidine[no description available]low00delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound		nicotinic antagonist
propamocarb[no description available]low00carbamate ester;
carbamate fungicide;
tertiary amino compound		antifungal agrochemical;
environmental contaminant;
xenobiotic
tridemorph[no description available]low00morpholines;
tertiary amino compound		antifungal agrochemical
amitraz[no description available]low00formamidines;
tertiary amino compound		acaricide;
environmental contaminant;
insecticide;
xenobiotic
butaclamol[no description available]low00amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline[no description available]low00isoquinolinol;
tertiary amino compound		human metabolite;
neurotoxin;
rat metabolite
vx[no description available]low00organic thiophosphate;
tertiary amino compound		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin
vindesine[no description available]low00methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent
miglustat[no description available]low00piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
loceryl[no description available]low00morpholine antifungal drug;
tertiary amino compound		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
mifepristone[no description available]low003-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
carmoxirole[no description available]low00indolecarboxylic acid;
tertiary amino compound;
tetrahydropyridine		antihypertensive agent;
dopamine agonist;
platelet aggregation inhibitor
naxagolide[no description available]low00organic heterotricyclic compound;
phenols;
tertiary amino compound		anticonvulsant;
antiparkinson drug;
dopamine agonist
temafloxacin[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
tiagabine[no description available]low00beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
eliprodil[no description available]low00monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound
irinotecan[no description available]low00carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
carfentanil[no description available]low00methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide		mu-opioid receptor agonist;
opioid analgesic;
tranquilizing drug
acridine orange[no description available]low00aminoacridines;
aromatic amine;
tertiary amino compound		fluorochrome;
histological dye
tenocyclidine[no description available]low00piperidines;
tertiary amino compound;
thiophenes		central nervous system stimulant;
hallucinogen;
neuroprotective agent;
NMDA receptor antagonist
nelfinavir[no description available]low00aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
plerixafor[no description available]low00azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
nile red[no description available]low00aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound		fluorochrome;
histological dye
cephalotaxine[no description available]low00benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound
d 888[no description available]low00aromatic ether;
nitrile;
tertiary amino compound		anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent
4-(diethylamino)benzaldehyde[no description available]low00aromatic amine;
benzaldehydes;
tertiary amino compound		EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
spiramide[no description available]low00aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
serotonergic antagonist
propildazine[no description available]low00dialkylarylamine;
tertiary amino compound
uk 68798[no description available]low00aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
hp 873[no description available]low001,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
tubulosine[no description available]low00beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound
voacamine[no description available]low00alkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
plant metabolite
dauricine[no description available]low00aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound		plant metabolite
rivastigmine[no description available]low00carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
dimethylformamide-dimethylacetal[no description available]low00acetal;
tertiary amino compound		chromatographic reagent
n-(3-(dimethylamino)propyl)methacrylamide[no description available]low00tertiary amino compound
n,n-diisopropylethylamine[no description available]low00tertiary amino compound
spiroxamine[no description available]low00dioxolane;
spiroketal;
tertiary amino compound		antifungal agrochemical;
environmental contaminant;
sterol biosynthesis inhibitor;
xenobiotic
mor-14[no description available]low00hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound		anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite
triflusulfuron-methyl[no description available]low001,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound		agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide
allocryptopine[no description available]low00aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound
sporidesmin[no description available]low00aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator
ecgonine methyl ester[no description available]low00methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug
ecteinascidin 743[no description available]low00acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
aporphine[no description available]low00aporphine alkaloid;
isoquinoline alkaloid fundamental parent;
tertiary amino compound
efonidipine[no description available]low00C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound
mosapride[no description available]low00aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound
n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide[no description available]low00benzenes;
coumarins;
maleimides;
tertiary amino compound		fluorescent dye
gefitinib[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
lofentanil[no description available]low00methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide		mu-opioid receptor agonist;
opioid analgesic
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine[no description available]low001-benzothiophenes;
piperidines;
tertiary amino compound		dopamine uptake inhibitor
desvenlafaxine[no description available]low00cyclohexanols;
phenols;
tertiary amino compound		antidepressant;
drug metabolite;
marine xenobiotic metabolite
xaliproden[no description available]low00(trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine		serotonergic agonist
ulipristal acetate[no description available]low0020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester;
tertiary amino compound		contraceptive drug;
progesterone receptor modulator;
progestin
sr 57227a[no description available]low00dialkylarylamine;
tertiary amino compound
ivabradine[no description available]low00aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound		cardiotonic drug
2,8-dinitroimipramine[no description available]low00C-nitro compound;
dibenzoazepine;
tertiary amino compound
sk&f 83959[no description available]low00benzazepine;
catechols;
organochlorine compound;
tertiary amino compound		dopamine agonist
corytuberine[no description available]low00aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound		plant metabolite
stephenanthrine[no description available]low00cyclic acetal;
organic heterotetracyclic compound;
tertiary amino compound
hydromethylthionine[no description available]low00aromatic amine;
phenothiazines;
tertiary amino compound		bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite
nbi 27914[no description available]low00dialkylarylamine;
tertiary amino compound
top 53[no description available]low00furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
antalarmin[no description available]low00pyrrolopyrimidine;
tertiary amino compound		corticotropin-releasing factor receptor antagonist
alpha-putrescinylthymine[no description available]low00N-substituted putrescine;
pyrimidine nucleobase;
pyrimidone;
secondary amino compound;
tertiary amino compound
dronedarone[no description available]low001-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
2-(4-morpholinoanilino)-6-cyclohexylaminopurine[no description available]low00morpholines;
purines;
secondary amino compound;
tertiary amino compound		adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
l 778,123[no description available]low00imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound		antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
vincaleukoblastine[no description available]low00acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
noscapine[no description available]low00aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
azaleucine[no description available]low00alanine derivative;
leucine derivative;
non-proteinogenic alpha-amino acid;
tertiary amino compound
nsc 23766[no description available]low00aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound		antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
gant 61[no description available]low00aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor
conessine[no description available]low00steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite
rocuronium[no description available]low003alpha-hydroxy steroid;
acetate ester;
androstane;
morpholines;
quaternary ammonium ion;
tertiary amino compound		drug allergen;
muscle relaxant;
neuromuscular agent
deltaline[no description available]low00acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound
oxyacanthine[no description available]low00bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound
ergonovine[no description available]low00ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		diagnostic agent;
fungal metabolite;
oxytocic;
toxin
colforsin daropate[no description available]low00acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent
cocaine[no description available]low00benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
afimoxifene[no description available]low00phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
efinaconazole[no description available]low00conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
n-nonyl-1-deoxynojirimycin[no description available]low00hydroxypiperidine;
tertiary amino compound		antiviral agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.2.1.45 (glucosylceramidase) inhibitor
3-(4-chlorophenyl)-6-(1-pyrrolidinyl)-1,2,4,5-tetrazine[no description available]low00dialkylarylamine;
tertiary amino compound
n-methylproline[no description available]low00L-alpha-amino acid zwitterion;
L-proline derivative;
tertiary amino compound		human metabolite;
plant metabolite
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine[no description available]low00dialkylarylamine;
tertiary amino compound
N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine[no description available]low00dialkylarylamine;
tertiary amino compound
7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine[no description available]low00aromatic amine;
tertiary amino compound
tiamulin[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid		antibacterial drug
2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile[no description available]low00aromatic amine;
tertiary amino compound
N-[4-(diethylamino)phenyl]-N'-phenylurea[no description available]low00dialkylarylamine;
tertiary amino compound
4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone[no description available]low00dialkylarylamine;
tertiary amino compound
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine[no description available]low00dialkylarylamine;
tertiary amino compound
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine[no description available]low00piperidines;
quinazolines;
tertiary amino compound;
toluenes
4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine[no description available]low00aromatic amine;
tertiary amino compound
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol[no description available]low00aromatic amine;
tertiary amino compound
4-[[4-bromo-5-(4-morpholinyl)-2-furanyl]methylideneamino]phenol[no description available]low00dialkylarylamine;
tertiary amino compound
4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone[no description available]low00dialkylarylamine;
tertiary amino compound
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine[no description available]low00pyridines;
quinazolines;
tertiary amino compound
2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile[no description available]low00dialkylarylamine;
tertiary amino compound
2-[[4-(4-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00dialkylarylamine;
tertiary amino compound
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide[no description available]low00morpholines;
pyrimidone;
secondary carboxamide;
tertiary amino compound
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide[no description available]low00aromatic amine;
tertiary amino compound
tamoxifen[no description available]low00stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide[no description available]low00dialkylarylamine;
tertiary amino compound
wiskostatin[no description available]low00carbazoles;
organobromine compound;
secondary alcohol;
tertiary amino compound
2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid[no description available]low00dialkylarylamine;
tertiary amino compound
3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine[no description available]low00aromatic amine;
tertiary amino compound
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine[no description available]low00dialkylarylamine;
tertiary amino compound
3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylaniline[no description available]low00dialkylarylamine;
tertiary amino compound
ranitidine[no description available]low00C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
stenusin[no description available]low00piperidine alkaloid;
tertiary amino compound
tandutinib[no description available]low00aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
dasatinib[no description available]low001,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
noribogaine[no description available]low00monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
secondary amino compound;
tertiary amino compound		kappa-opioid receptor agonist;
NMDA receptor antagonist;
psychotropic drug;
serotonin uptake inhibitor
2-[[4-(3-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00dialkylarylamine;
tertiary amino compound
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone[no description available]low00aromatic amine;
tertiary amino compound
N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide[no description available]low00dialkylarylamine;
tertiary amino compound
5-(1-azepanyl)-1,3,4-thiadiazol-2-amine[no description available]low00dialkylarylamine;
tertiary amino compound
3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione[no description available]low00dialkylarylamine;
tertiary amino compound
nafadotride[no description available]low00aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound		dopaminergic antagonist
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine[no description available]low00aromatic amine;
tertiary amino compound
clopidogrel carboxylic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine		drug metabolite;
marine xenobiotic metabolite
LY-310762[no description available]low00aromatic ketone;
monofluorobenzenes;
oxindoles;
piperidines;
tertiary amino compound		receptor modulator;
serotonergic antagonist
ly 367265[no description available]low00dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline		antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine[no description available]low00aromatic amine;
piperidines;
pyridines;
quinazolines;
secondary amino compound;
tertiary amino compound
3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide[no description available]low00dialkylarylamine;
tertiary amino compound
mycophenolate mofetil[no description available]low00carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
cassaine[no description available]low00enoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid		antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison
josamycin[no description available]low00acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite
acetylspiramycin[no description available]low00acetate ester;
aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
n,n-dimethylsphingenine[no description available]low00aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite
alvocidib[no description available]low00dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin[no description available]low001,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound		Hsp90 inhibitor
morphine[no description available]low00morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
kn 93[no description available]low00monochlorobenzenes;
monomethoxybenzene;
primary alcohol;
sulfonamide;
tertiary amino compound		EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor;
geroprotector
bosutinib[no description available]low00aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
su 11652[no description available]low00olefinic compound;
organochlorine compound;
oxindoles;
pyrrolecarboxamide;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor
palbociclib[no description available]low00aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
bedaquiline[no description available]low00aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor
catharanthine[no description available]low00alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
oripavine[no description available]low00ether;
morphinane alkaloid;
organic heteropentacyclic compound;
organic hydroxy compound;
tertiary amino compound		bacterial xenobiotic metabolite;
opioid analgesic
cinanserin[no description available]low00aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound		anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
DPI2[no description available]low00benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone		ferroptosis inducer
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin[no description available]low00organoiodine compound;
phenols;
tertiary amino compound;
tetralins		dopamine agonist
sdz eaa 494[no description available]low00monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist
demycarosylturimycin h[no description available]low00aldehyde;
disaccharide derivative;
ether;
macrolide;
tertiary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
ro 25-6981[no description available]low00benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound		anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist
yunaconitine[no description available]low00acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic
eaa-090[no description available]low00dialkylarylamine;
tertiary amino compound
prasugrel[no description available]low00acetate ester;
cyclopropanes;
ketone;
monofluorobenzenes;
tertiary amino compound;
thienopyridine
bay 58-2667[no description available]low00aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound		antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent
muromonab-cd3[no description available]low00alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite
px-866[no description available]low00acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
pi103[no description available]low00aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
selexipag[no description available]low00aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound		orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent
zm 447439[no description available]low00aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
tofacitinib[no description available]low00N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
mre 269[no description available]low00aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound		drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride[no description available]low00aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound		antipsychotic agent;
receptor modulator
NNC 55-0396 (free base)[no description available]low00benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
pateamine a[no description available]low001,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound		antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite
pimavanserin[no description available]low00aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas		5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist
bibw 2992[no description available]low00aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
tyrosine kinase inhibitor
edoxaban[no description available]low00chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor
akuammicine[no description available]low00methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite
crenolanib[no description available]low00aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
PDGF receptor tyrosine kinase inhibitor III[no description available]low00aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
abt-737[no description available]low00aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
azd 8931[no description available]low00aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
azd 1152[no description available]low00anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug
pf 00299804[no description available]low00enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
sarpagine[no description available]low00indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one[no description available]low00alkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound		anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite
azd 1152-hqpa[no description available]low00anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor
ku 0063794[no description available]low00benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
mTOR inhibitor
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one[no description available]low00aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound
flupyradifurone[no description available]low00butenolide;
enamine;
monochloropyridine;
organofluorine insecticide;
tertiary amino compound		insecticide;
nicotinic acetylcholine receptor agonist
alcaftadine[no description available]low00aldehyde;
imidazobenzazepine;
piperidines;
tertiary amino compound		anti-allergic agent;
H1-receptor antagonist
benzoylaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite
deoxyaconitine[no description available]low00acetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound		plant metabolite
2-[[4-(4-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00dialkylarylamine;
tertiary amino compound
2-[[4-(2-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol[no description available]low00dialkylarylamine;
tertiary amino compound
2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol[no description available]low00dialkylarylamine;
tertiary amino compound
vindolinine[no description available]low00methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite
tenovin-6[no description available]low00monocarboxylic acid amide;
tertiary amino compound;
thioureas		antineoplastic agent;
p53 activator;
Sir2 inhibitor
lde225[no description available]low00aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
benzoylmesaconine[no description available]low00benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		analgesic;
antiinfective agent;
plant metabolite
sch772984[no description available]low00biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
navitoclax[no description available]low00aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide[no description available]low00aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol[no description available]low00benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide[no description available]low00dialkylarylamine;
tertiary amino compound
(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one[no description available]low00dialkylarylamine;
tertiary amino compound
N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide[no description available]low00dialkylarylamine;
tertiary amino compound
(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one[no description available]low00dialkylarylamine;
tertiary amino compound
3-cyclohexyl-1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea[no description available]low00dialkylarylamine;
tertiary amino compound
1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea[no description available]low00dialkylarylamine;
tertiary amino compound
cblc137[no description available]low00aromatic ketone;
carbazoles;
methyl ketone;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
NF-kappaB inhibitor;
p53 activator
1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea[no description available]low00dialkylarylamine;
tertiary amino compound
lrrk2-in1[no description available]low00aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
tubastatin a[no description available]low00hydroxamic acid;
pyridoindole;
tertiary amino compound		EC 3.5.1.98 (histone deacetylase) inhibitor
pracinostat[no description available]low00benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
delgocitinib[no description available]low00azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide		anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pf 956980[no description available]low00N-acylpiperidine;
N-acylpyrrolidine;
pyrrolopyrimidine;
tertiary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
AZD3463[no description available]low00aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
gsk2879552[no description available]low00benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
osimertinib[no description available]low00acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
as 1842856[no description available]low00organofluorine compound;
primary amino compound;
quinolinemonocarboxylic acid;
quinolone;
secondary amino compound;
tertiary amino compound		anti-obesity agent;
antineoplastic agent;
apoptosis inducer;
autophagy inhibitor;
forkhead box protein O1 inhibitor;
hypoglycemic agent
MLI-2[no description available]low00aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ap20187[no description available]low00aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound		ligand
BDA-366[no description available]low00anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
apoptosis inducer
5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol[no description available]low00dialkylarylamine;
tertiary amino compound
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile[no description available]low00hydroxyindoles;
morpholines;
nitrile;
pyridines;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
tau aggregation inhibitor
sb-590885[no description available]low00aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound
sotorasib[no description available]low00acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide		antineoplastic agent
aristolochic acid i[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
racemethorphan[no description available]low00aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound
ellipticine[no description available]low00indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
lysergic acid diethylamide[no description available]low00ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound		dopamine agonist;
hallucinogen;
serotonergic agonist
gliotoxin[no description available]low00dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole		antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor
hematoxylin[no description available]low00organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol		histological dye;
plant metabolite
podophyllotoxin[no description available]low00furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
quinacridone[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
palmatine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound		plant metabolite
nicergoline[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
etoposide[no description available]low00beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
pergolide[no description available]low00diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist
calanolide a[no description available]low00cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol		HIV-1 reverse transcriptase inhibitor;
plant metabolite
tetrahydropalmatine[no description available]low00an (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound		adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
columbamine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound
picropodophyllin[no description available]low00furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
brazilin[no description available]low00catechols;
organic heterotetracyclic compound;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite
tryptanthrine[no description available]low00alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
cryptolepine[no description available]low00indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite
9-hydroxyellipticine[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound		antineoplastic agent
beta-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
plant metabolite
alpha-peltatin[no description available]low00furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols		antineoplastic agent;
metabolite
canthin-6-one[no description available]low00enone;
indole alkaloid;
organic heterotetracyclic compound		antimycobacterial drug;
metabolite
berbine[no description available]low00berberine alkaloid;
isoquinoline alkaloid fundamental parent;
organic heterotetracyclic compound
aristolochic acid ii[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
megestrol acetate[no description available]low00bridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol		GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite
4'-demethylpodophyllotoxin[no description available]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		metabolite
4'-demethylepipodophyllotoxin[no description available]low00furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent
psorospermin[no description available]low00epoxide;
organic heterotetracyclic compound;
xanthones		antineoplastic agent;
plant metabolite
asperlicin c[no description available]low00asperlicins;
indoles;
organic heterotetracyclic compound		Aspergillus metabolite;
cholecystokinin antagonist
schizandrin b[no description available]low00aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin		anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite
aristolochic acid D[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin
aristolochic acid c[no description available]low00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
erysodine[no description available]low00aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols		antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide
pronuciferine[no description available]low00aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound		plant metabolite
5-methoxycanthin-6-one[no description available]low00alkaloid;
organic heterotetracyclic compound
pd 146176[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		antiatherogenic agent;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
ferroptosis inhibitor
Amalorin[no description available]low00alkaloid;
organic heterotetracyclic compound
sampangine[no description available]low00alkaloid;
organic heterotetracyclic compound		antifungal agent;
plant metabolite
discretamine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
plant metabolite
tetrahydrocolumbamine[no description available]low00berberine alkaloid;
organic heterotetracyclic compound
costatolide[no description available]low00cyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol		HIV-1 reverse transcriptase inhibitor;
plant metabolite
piperlactam s[no description available]low00alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols		anti-inflammatory agent;
antioxidant;
plant metabolite
6-methyl-12-indolo[1,2-c]quinazolinamine[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
sb-224289[no description available]low001,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound		serotonergic antagonist
alsterpaullone[no description available]low00C-nitro compound;
caprolactams;
organic heterotetracyclic compound		anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor
bryostatin 1[no description available]low00acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist
azadirachtin[no description available]low00acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol		hepatoprotective agent
geissospermine[no description available]low00indole alkaloid;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound		EC 3.1.1.7 (acetylcholinesterase) inhibitor
maytansine[no description available]low00alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator
ellagic acid[no description available]low00catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
t-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
cardiotoxic agent;
DNA synthesis inhibitor;
environmental contaminant;
fungal metabolite;
mycotoxin;
neurotoxin
vinorelbine[no description available]low00acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
rifamycin b[no description available]low00acetate ester;
carboxylic acid;
organic heterotetracyclic compound;
rifamycins
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one[no description available]low00organic heterotetracyclic compound;
organofluorine compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
arglabin[no description available]low00epoxide;
gamma-lactone;
organic heterotetracyclic compound;
sesquiterpene lactone		antineoplastic agent;
metabolite
rifamycin sv[no description available]low00acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins		antimicrobial agent;
antitubercular agent;
bacterial metabolite
muconomycin a[no description available]low00epoxide;
macrolide antibiotic;
macrotriolide;
organic heterotetracyclic compound;
trichothecene
bryostatin 2[no description available]low00bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol		antineoplastic agent;
marine metabolite;
protein kinase C agonist
1-azakenpaullone[no description available]low00lactam;
organic heterotetracyclic compound;
organobromine compound;
organonitrogen heterocyclic compound		EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
ergoline[no description available]low00diamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound
lergotrile[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
xenovulene a[no description available]low00cyclic ether;
enone;
organic heterotetracyclic compound;
sesquiterpenoid		GABA antagonist;
metabolite
9-methoxycanthin-6-one[no description available]low00aromatic ether;
indole alkaloid;
organic heterotetracyclic compound		antineoplastic agent;
antiplasmodial drug;
metabolite
HT-2 toxin[no description available]low00acetate ester;
organic heterotetracyclic compound;
trichothecene		apoptosis inducer;
fungal metabolite
arisugacin[no description available]low00aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite
vinflunine[no description available]low00acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent
ossamycin[no description available]low00cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite
8,5'-cyclo-2'-deoxyadenosine[no description available]low00aromatic amine;
bridged compound;
diol;
N-glycosyl compound;
organic heterotetracyclic compound		Mycoplasma genitalium metabolite
liphagal[no description available]low00aldehyde;
cyclic ether;
meroterpenoid;
organic heterotetracyclic compound;
polyphenol		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
metabolite
drymaritin[no description available]low00enol ether;
enone;
indole alkaloid;
organic heterotetracyclic compound		anti-HIV agent;
metabolite
pyripyropene a[no description available]low00organic heterotetracyclic compound;
sesquiterpenoid		acyl-CoA:cholesterol acyltransferase 2 inhibitor;
metabolite
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea[no description available]low00organic heterotetracyclic compound;
organonitrogen heterocyclic compound
hapalindole u[no description available]low00hapalindole;
isocyanide;
organic heterotetracyclic compound
chaetominine[no description available]low00indole alkaloid;
lactam;
organic heterotetracyclic compound;
quinazolines		metabolite
berkeleydione[no description available]low00beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite
caribenol a[no description available]low00organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite
cx 5461[no description available]low00diazepine;
naphthyridine derivative;
organic heterotetracyclic compound;
pyrazines;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.7.6 (RNA polymerase) inhibitor
lycojapodine a[no description available]low00alkaloid;
bridged compound;
cyclic ketone;
lactone;
organic heterotetracyclic compound		anti-HIV-1 agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
aspirochlorine[no description available]low00organic heterotetracyclic compoundAspergillus metabolite
alectinib[no description available]low00aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
afidopyropen[no description available]low00cyclopropanecarboxylate ester;
organic heterotetracyclic compound;
pyridines;
secondary alcohol		agrochemical;
insecticide;
TRPV channel modulator
stemmadenine[no description available]low00Aspidosperma alkaloid;
methyl ester;
monoterpenoid indole alkaloid;
organic heterotetracyclic compound;
primary alcohol		plant metabolite
mycocyclosin[no description available]low002,5-diketopiperazines;
organic heterotetracyclic compound;
polyphenol		metabolite
mk-8742[no description available]low00carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent
pf-06463922[no description available]low00aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
atogepant[no description available]low00azaspiro compound;
organic heterotetracyclic compound;
piperidones;
secondary carboxamide;
trifluorobenzene		calcitonin gene-related peptide receptor antagonist
bictegravir[no description available]low00monocarboxylic acid amide;
organic heterotetracyclic compound;
secondary carboxamide;
trifluorobenzene		HIV-1 integrase inhibitor
8,5'-cyclo-2'-deoxyguanosine[no description available]low00aromatic amine;
bridged compound;
diol;
N-glycosyl compound;
organic heterotetracyclic compound		Mycoplasma genitalium metabolite
ConditionIndicatedRelationship StrengthStudiesTrials

Research Highlights

Pharmacokinetics (1)

ArticleYear
Pharmacokinetics of therapeutic doses of tropisetron in healthy volunteers.
British journal of clinical pharmacology, Volume: 52, Issue: 6		2001
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (1)

ArticleYear
Pharmacokinetics of therapeutic doses of tropisetron in healthy volunteers.
British journal of clinical pharmacology, Volume: 52, Issue: 6		2001
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (1)

ArticleYear
Dissociation of co-regulatory control of debrisoquin/phenformin and sparteine oxidation in Ghanaians.
Clinical pharmacology and therapeutics, Volume: 37, Issue: 5		1985
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]