naxagolide profile

naxagolide: structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

naxagolide : An organic heterotricyclic compound that is (4aR,10bR)-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine substituted by propyl and hydroxy groups at positions 4 and 9, respectively. It is a potent dopamine D2-receptor agonist and its hydrochloride salt was under clinical development by Merck & Co as a potential antiparkinsonian agent (now discontinued). [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]

ID Source	ID
PubMed CID	57533
CHEMBL ID	69271
CHEBI ID	177372
SCHEMBL ID	221758
MeSH ID	M0125785

Synonym
naxagolidum
CHEBI:177372
(4ar-trans)-3,4,4a,5,6,10b-hexahydro-4-propyl-2h-naphth[1,2-b]-1,4-oxazin-9-ol
(+)-4-propyl-9-hydroxynaphthoxazine
(+)-phno
88058-88-2
nazagolide
naxagolida
(4ar,10br)-4-propyl-3,4,4a,5,6,10b-hexahydro-2h-naphtho[1,2-b][1,4]oxazin-9-ol
phno
dopazinol
naxagolide [inn]
naxagolide
naxagolida [inn-spanish]
naxagolidum [inn-latin]
2h-naphth(1,2-b)-1,4-oxazin-9-ol, 3,4,4a,5,6,10b-hexahydro-4-propyl-, (4ar-trans)-
CHEMBL69271 ,
(r,r)-phno
(4ar,10br)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol
AKOS005146337
bdbm50020217
phno,(+)
[11c]-(+)-(4ar,10br)-4-propyl-3,4,4a,5,6,10b-hexahydro-2h-naphtho[1,2-b][1,4]oxazin-9-ol
bdbm50331552
unii-22z7e0x6of
22z7e0x6of ,
BCP9000980
(+)-(4ar,10br)-3,4,4a,5,6,10b-hexahydro-4-propyl-2h-naphth(1,2-b)-1,4-oxazin-9-ol
(4ar,10br)-3,4,4a,5,6,10b-hexahydro-4-propyl-2h-naphth(1,2-b)-1,4-oxazin-9-ol
SCHEMBL221758
J-501357
DTXSID60236782
JCSREICEMHWFAY-HUUCEWRRSA-N
BCP02364
Q27253689
MS-23506
(4ar,10br)-4-propyl-2h,3h,4h,4ah,5h,6h,10bh-naphtho[1,2-b][1,4]oxazin-9-ol
HY-108237
CS-0027625

Role	Description
antiparkinson drug	A drug used in the treatment of Parkinson's disease.
dopamine agonist	A drug that binds to and activates dopamine receptors.
anticonvulsant	A drug used to prevent seizures or reduce their severity.
[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]

Class	Description
tertiary amino compound	A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups.
organic heterotricyclic compound	An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms.
phenols	Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
D(2) dopamine receptor	Homo sapiens (human)	Ki	0.0063	0.0000	0.6518	10.0000	AID447396; AID64477
D(3) dopamine receptor	Homo sapiens (human)	Ki	0.0002	0.0000	0.6020	10.0000	AID447397; AID63356
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
phospholipase C-activating dopamine receptor signaling pathway	D(2) dopamine receptor	Homo sapiens (human)
temperature homeostasis	D(2) dopamine receptor	Homo sapiens (human)
response to hypoxia	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of protein phosphorylation	D(2) dopamine receptor	Homo sapiens (human)
response to amphetamine	D(2) dopamine receptor	Homo sapiens (human)
nervous system process involved in regulation of systemic arterial blood pressure	D(2) dopamine receptor	Homo sapiens (human)
regulation of heart rate	D(2) dopamine receptor	Homo sapiens (human)
regulation of sodium ion transport	D(2) dopamine receptor	Homo sapiens (human)
G protein-coupled receptor internalization	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of neuroblast proliferation	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of receptor internalization	D(2) dopamine receptor	Homo sapiens (human)
autophagy	D(2) dopamine receptor	Homo sapiens (human)
adenylate cyclase-inhibiting dopamine receptor signaling pathway	D(2) dopamine receptor	Homo sapiens (human)
neuron-neuron synaptic transmission	D(2) dopamine receptor	Homo sapiens (human)
neuroblast proliferation	D(2) dopamine receptor	Homo sapiens (human)
axonogenesis	D(2) dopamine receptor	Homo sapiens (human)
synapse assembly	D(2) dopamine receptor	Homo sapiens (human)
sensory perception of smell	D(2) dopamine receptor	Homo sapiens (human)
long-term memory	D(2) dopamine receptor	Homo sapiens (human)
grooming behavior	D(2) dopamine receptor	Homo sapiens (human)
locomotory behavior	D(2) dopamine receptor	Homo sapiens (human)
adult walking behavior	D(2) dopamine receptor	Homo sapiens (human)
protein localization	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of cell population proliferation	D(2) dopamine receptor	Homo sapiens (human)
associative learning	D(2) dopamine receptor	Homo sapiens (human)
visual learning	D(2) dopamine receptor	Homo sapiens (human)
response to xenobiotic stimulus	D(2) dopamine receptor	Homo sapiens (human)
response to light stimulus	D(2) dopamine receptor	Homo sapiens (human)
response to toxic substance	D(2) dopamine receptor	Homo sapiens (human)
response to iron ion	D(2) dopamine receptor	Homo sapiens (human)
response to inactivity	D(2) dopamine receptor	Homo sapiens (human)
Wnt signaling pathway	D(2) dopamine receptor	Homo sapiens (human)
striatum development	D(2) dopamine receptor	Homo sapiens (human)
orbitofrontal cortex development	D(2) dopamine receptor	Homo sapiens (human)
cerebral cortex GABAergic interneuron migration	D(2) dopamine receptor	Homo sapiens (human)
adenohypophysis development	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of cell migration	D(2) dopamine receptor	Homo sapiens (human)
peristalsis	D(2) dopamine receptor	Homo sapiens (human)
auditory behavior	D(2) dopamine receptor	Homo sapiens (human)
regulation of synaptic transmission, GABAergic	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of cytokinesis	D(2) dopamine receptor	Homo sapiens (human)
circadian regulation of gene expression	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of dopamine secretion	D(2) dopamine receptor	Homo sapiens (human)
response to histamine	D(2) dopamine receptor	Homo sapiens (human)
response to nicotine	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of urine volume	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of renal sodium excretion	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of multicellular organism growth	D(2) dopamine receptor	Homo sapiens (human)
response to cocaine	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of circadian sleep/wake cycle, sleep	D(2) dopamine receptor	Homo sapiens (human)
dopamine metabolic process	D(2) dopamine receptor	Homo sapiens (human)
drinking behavior	D(2) dopamine receptor	Homo sapiens (human)
regulation of potassium ion transport	D(2) dopamine receptor	Homo sapiens (human)
response to morphine	D(2) dopamine receptor	Homo sapiens (human)
pigmentation	D(2) dopamine receptor	Homo sapiens (human)
phosphatidylinositol 3-kinase/protein kinase B signal transduction	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of G protein-coupled receptor signaling pathway	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of blood pressure	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of innate immune response	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of insulin secretion	D(2) dopamine receptor	Homo sapiens (human)
acid secretion	D(2) dopamine receptor	Homo sapiens (human)
behavioral response to cocaine	D(2) dopamine receptor	Homo sapiens (human)
behavioral response to ethanol	D(2) dopamine receptor	Homo sapiens (human)
regulation of long-term neuronal synaptic plasticity	D(2) dopamine receptor	Homo sapiens (human)
response to axon injury	D(2) dopamine receptor	Homo sapiens (human)
branching morphogenesis of a nerve	D(2) dopamine receptor	Homo sapiens (human)
arachidonic acid secretion	D(2) dopamine receptor	Homo sapiens (human)
epithelial cell proliferation	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of epithelial cell proliferation	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of protein secretion	D(2) dopamine receptor	Homo sapiens (human)
release of sequestered calcium ion into cytosol	D(2) dopamine receptor	Homo sapiens (human)
dopamine uptake involved in synaptic transmission	D(2) dopamine receptor	Homo sapiens (human)
regulation of dopamine uptake involved in synaptic transmission	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of dopamine uptake involved in synaptic transmission	D(2) dopamine receptor	Homo sapiens (human)
regulation of synapse structural plasticity	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of synaptic transmission, glutamatergic	D(2) dopamine receptor	Homo sapiens (human)
excitatory postsynaptic potential	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of growth hormone secretion	D(2) dopamine receptor	Homo sapiens (human)
prepulse inhibition	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of dopamine receptor signaling pathway	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	D(2) dopamine receptor	Homo sapiens (human)
regulation of locomotion involved in locomotory behavior	D(2) dopamine receptor	Homo sapiens (human)
postsynaptic modulation of chemical synaptic transmission	D(2) dopamine receptor	Homo sapiens (human)
presynaptic modulation of chemical synaptic transmission	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of cellular response to hypoxia	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of glial cell-derived neurotrophic factor production	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of long-term synaptic potentiation	D(2) dopamine receptor	Homo sapiens (human)
hyaloid vascular plexus regression	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of neuron migration	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of cytosolic calcium ion concentration	D(2) dopamine receptor	Homo sapiens (human)
regulation of dopamine secretion	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of adenylate cyclase activity	D(2) dopamine receptor	Homo sapiens (human)
phospholipase C-activating dopamine receptor signaling pathway	D(2) dopamine receptor	Homo sapiens (human)
negative regulation of voltage-gated calcium channel activity	D(2) dopamine receptor	Homo sapiens (human)
positive regulation of MAPK cascade	D(2) dopamine receptor	Homo sapiens (human)
adenylate cyclase-activating adrenergic receptor signaling pathway	D(2) dopamine receptor	Homo sapiens (human)
response to ethanol	D(3) dopamine receptor	Homo sapiens (human)
synaptic transmission, dopaminergic	D(3) dopamine receptor	Homo sapiens (human)
G protein-coupled receptor internalization	D(3) dopamine receptor	Homo sapiens (human)
intracellular calcium ion homeostasis	D(3) dopamine receptor	Homo sapiens (human)
G protein-coupled receptor signaling pathway	D(3) dopamine receptor	Homo sapiens (human)
adenylate cyclase-activating dopamine receptor signaling pathway	D(3) dopamine receptor	Homo sapiens (human)
adenylate cyclase-inhibiting dopamine receptor signaling pathway	D(3) dopamine receptor	Homo sapiens (human)
learning or memory	D(3) dopamine receptor	Homo sapiens (human)
learning	D(3) dopamine receptor	Homo sapiens (human)
locomotory behavior	D(3) dopamine receptor	Homo sapiens (human)
visual learning	D(3) dopamine receptor	Homo sapiens (human)
response to xenobiotic stimulus	D(3) dopamine receptor	Homo sapiens (human)
regulation of dopamine secretion	D(3) dopamine receptor	Homo sapiens (human)
positive regulation of cytokinesis	D(3) dopamine receptor	Homo sapiens (human)
circadian regulation of gene expression	D(3) dopamine receptor	Homo sapiens (human)
response to histamine	D(3) dopamine receptor	Homo sapiens (human)
social behavior	D(3) dopamine receptor	Homo sapiens (human)
response to cocaine	D(3) dopamine receptor	Homo sapiens (human)
dopamine metabolic process	D(3) dopamine receptor	Homo sapiens (human)
response to morphine	D(3) dopamine receptor	Homo sapiens (human)
negative regulation of blood pressure	D(3) dopamine receptor	Homo sapiens (human)
positive regulation of mitotic nuclear division	D(3) dopamine receptor	Homo sapiens (human)
acid secretion	D(3) dopamine receptor	Homo sapiens (human)
behavioral response to cocaine	D(3) dopamine receptor	Homo sapiens (human)
negative regulation of oligodendrocyte differentiation	D(3) dopamine receptor	Homo sapiens (human)
arachidonic acid secretion	D(3) dopamine receptor	Homo sapiens (human)
negative regulation of protein secretion	D(3) dopamine receptor	Homo sapiens (human)
musculoskeletal movement, spinal reflex action	D(3) dopamine receptor	Homo sapiens (human)
regulation of dopamine uptake involved in synaptic transmission	D(3) dopamine receptor	Homo sapiens (human)
negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction	D(3) dopamine receptor	Homo sapiens (human)
prepulse inhibition	D(3) dopamine receptor	Homo sapiens (human)
positive regulation of dopamine receptor signaling pathway	D(3) dopamine receptor	Homo sapiens (human)
negative regulation of adenylate cyclase activity	D(3) dopamine receptor	Homo sapiens (human)
adenylate cyclase-activating adrenergic receptor signaling pathway	D(3) dopamine receptor	Homo sapiens (human)
negative regulation of voltage-gated calcium channel activity	D(3) dopamine receptor	Homo sapiens (human)
regulation of potassium ion transport	D(3) dopamine receptor	Homo sapiens (human)
phospholipase C-activating dopamine receptor signaling pathway	D(3) dopamine receptor	Homo sapiens (human)
positive regulation of MAPK cascade	D(3) dopamine receptor	Homo sapiens (human)
negative regulation of cytosolic calcium ion concentration	D(3) dopamine receptor	Homo sapiens (human)
negative regulation of synaptic transmission, glutamatergic	D(3) dopamine receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
dopamine neurotransmitter receptor activity, coupled via Gi/Go	D(2) dopamine receptor	Homo sapiens (human)
G-protein alpha-subunit binding	D(2) dopamine receptor	Homo sapiens (human)
protein binding	D(2) dopamine receptor	Homo sapiens (human)
heterotrimeric G-protein binding	D(2) dopamine receptor	Homo sapiens (human)
dopamine binding	D(2) dopamine receptor	Homo sapiens (human)
ionotropic glutamate receptor binding	D(2) dopamine receptor	Homo sapiens (human)
identical protein binding	D(2) dopamine receptor	Homo sapiens (human)
heterocyclic compound binding	D(2) dopamine receptor	Homo sapiens (human)
G protein-coupled receptor activity	D(2) dopamine receptor	Homo sapiens (human)
dopamine neurotransmitter receptor activity, coupled via Gi/Go	D(3) dopamine receptor	Homo sapiens (human)
protein binding	D(3) dopamine receptor	Homo sapiens (human)
G protein-coupled receptor activity	D(3) dopamine receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
Golgi membrane	D(2) dopamine receptor	Homo sapiens (human)
acrosomal vesicle	D(2) dopamine receptor	Homo sapiens (human)
plasma membrane	D(2) dopamine receptor	Homo sapiens (human)
cilium	D(2) dopamine receptor	Homo sapiens (human)
lateral plasma membrane	D(2) dopamine receptor	Homo sapiens (human)
endocytic vesicle	D(2) dopamine receptor	Homo sapiens (human)
axon	D(2) dopamine receptor	Homo sapiens (human)
dendrite	D(2) dopamine receptor	Homo sapiens (human)
synaptic vesicle membrane	D(2) dopamine receptor	Homo sapiens (human)
sperm flagellum	D(2) dopamine receptor	Homo sapiens (human)
dendritic spine	D(2) dopamine receptor	Homo sapiens (human)
perikaryon	D(2) dopamine receptor	Homo sapiens (human)
axon terminus	D(2) dopamine receptor	Homo sapiens (human)
postsynaptic membrane	D(2) dopamine receptor	Homo sapiens (human)
ciliary membrane	D(2) dopamine receptor	Homo sapiens (human)
non-motile cilium	D(2) dopamine receptor	Homo sapiens (human)
dopaminergic synapse	D(2) dopamine receptor	Homo sapiens (human)
GABA-ergic synapse	D(2) dopamine receptor	Homo sapiens (human)
G protein-coupled receptor complex	D(2) dopamine receptor	Homo sapiens (human)
glutamatergic synapse	D(2) dopamine receptor	Homo sapiens (human)
presynaptic membrane	D(2) dopamine receptor	Homo sapiens (human)
plasma membrane	D(2) dopamine receptor	Homo sapiens (human)
plasma membrane	D(3) dopamine receptor	Homo sapiens (human)
synapse	D(3) dopamine receptor	Homo sapiens (human)
plasma membrane	D(3) dopamine receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (59)

Assay ID	Title	Year	Journal	Article
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1079931	Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID63356	Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells	2000	Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15	Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907).
AID1079941	Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID243201	Percent change in rat brain dopamine transporter binding after 10 mg/kg RTI-32 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID173497	In Vivo effect on concentration of DOPAC in rat striatum at dose of 0.4 umol/kg administered intraperitoneally	1988	Journal of medicinal chemistry, Nov, Volume: 31, Issue:11	Synthesis and pharmacology of trans-4-n-propyl-3,4,4a,10b-tetrahydro-2H,5H-1-benzopyrano[4,3-b ]-1,4-oxazin-7- and -9-ols: the significance of nitrogen pKa values for central dopamine receptor activation.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID243197	Effect on compound specific binding to tyrosine hydroxylase in rat brain upon pre-treatment with 250 mg/kg AMPT	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID1079938	Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID173495	In Vivo effect of agonist on the induction of stereotypy (continuous sniffing behavior in rat) at 0.4 umol/kg	1988	Journal of medicinal chemistry, Nov, Volume: 31, Issue:11	Synthesis and pharmacology of trans-4-n-propyl-3,4,4a,10b-tetrahydro-2H,5H-1-benzopyrano[4,3-b ]-1,4-oxazin-7- and -9-ols: the significance of nitrogen pKa values for central dopamine receptor activation.
AID243207	Percent change in rat brain adrenergic receptor alpha 2A binding to in rat brain after 2 mg/kg MK-912 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243205	Effect on compound specific binding to dopamine release in rat brain upon pre-treatment with 0.25 mg/kg amphetamine	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243199	Effect on compound specific binding to dopamine release in rat brain upon pre-treatment with 2 mg/kg amphetamine	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243212	Percent change in rat brain dopamine D2/D3 receptor binding after 0.01 mg/kg raclopride treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID243200	Effect on compound specific binding to dopamine release in rat brain upon pre-treatment with 4 mg/kg amphetamine	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID26837	Ionization constant in presence of hydroxyl	1988	Journal of medicinal chemistry, Nov, Volume: 31, Issue:11	Synthesis and pharmacology of trans-4-n-propyl-3,4,4a,10b-tetrahydro-2H,5H-1-benzopyrano[4,3-b ]-1,4-oxazin-7- and -9-ols: the significance of nitrogen pKa values for central dopamine receptor activation.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID243193	Effect on compound specific binding to rat brain upon pre-treatment with 2 mg/kg reserpine and 250 mg/kg AMPT	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243194	Percent change in rat brain dopamine transporter binding after 1 mg/kg RTI-32 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243204	Effect on compound specific binding to dopamine release in rat brain upon pre-treatment with 0.5 mg/kg amphetamine	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243215	Percent change in rat brain dopamine D2/sigma receptor binding after in rat brain after 1 mg/kg haloperidol treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243192	Percent change in rat brain dopamine D1 receptor binding after 1 mg/kg SCH 23390 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243202	Percent change in rat brain dopamine transporter binding after 0.5 mg/kg RTI-32 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243191	Effect on compound specific binding to rat brain upon pre-treatment with 2 mg/kg reserpine	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID243208	Percent change in rat brain dopamine D2/D3 receptor binding after 1 mg/kg raclopride treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243211	Percent change in rat brain dopamine D2/D3 receptor binding after 0.2 mg/kg raclopride treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID64476	Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]-NPA as radioligand; Not determined	2000	Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15	Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907).
AID1079936	Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1079935	Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID64477	Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]spip as radioligand	2000	Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15	Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907).
AID243209	Percent change in rat brain adrenergic receptor alpha 2 binding after treatment with 1 mg/kg clonidine	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID54451	Potency to displace the specific in vitro binding of [3H]N-0437 to calf striatal membrane	1988	Journal of medicinal chemistry, Nov, Volume: 31, Issue:11	Synthesis and pharmacology of trans-4-n-propyl-3,4,4a,10b-tetrahydro-2H,5H-1-benzopyrano[4,3-b ]-1,4-oxazin-7- and -9-ols: the significance of nitrogen pKa values for central dopamine receptor activation.
AID194876	In Vivo effect on concentration of HVA in rat striatum at dose of 0.4 umol/kg administered intraperitoneally	1988	Journal of medicinal chemistry, Nov, Volume: 31, Issue:11	Synthesis and pharmacology of trans-4-n-propyl-3,4,4a,10b-tetrahydro-2H,5H-1-benzopyrano[4,3-b ]-1,4-oxazin-7- and -9-ols: the significance of nitrogen pKa values for central dopamine receptor activation.
AID243214	Percent change in rat brain 5-hydroxytryptamine 1A receptor binding after 1 mg/kg WAY 100635 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID168912	Potency to displace the specific in vitro binding of [3H]DP-5,6-ADTN to rat striatal membrane	1988	Journal of medicinal chemistry, Nov, Volume: 31, Issue:11	Synthesis and pharmacology of trans-4-n-propyl-3,4,4a,10b-tetrahydro-2H,5H-1-benzopyrano[4,3-b ]-1,4-oxazin-7- and -9-ols: the significance of nitrogen pKa values for central dopamine receptor activation.
AID19222	Partition coefficient in octanol-buffer at a pH 7.4	1988	Journal of medicinal chemistry, Nov, Volume: 31, Issue:11	Synthesis and pharmacology of trans-4-n-propyl-3,4,4a,10b-tetrahydro-2H,5H-1-benzopyrano[4,3-b ]-1,4-oxazin-7- and -9-ols: the significance of nitrogen pKa values for central dopamine receptor activation.
AID243198	Effect on compound specific binding to dopamine release in rat brain upon pre-treatment with 1 mg/kg amphetamine	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243206	Percent change in rat brain receptor sigma 1 binding after 1 mg/kg BD 1047 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID447396	Agonistic activity at DRD2 receptor	2009	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 19, Issue:17	Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part 3: Radiosynthesis and in vivo studies.
AID243213	Percent change in rat brain dopamine D2/D3 receptor binding after 0.04 mg/kg raclopride treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID26626	Ionization constant in presence of nitrogen	1988	Journal of medicinal chemistry, Nov, Volume: 31, Issue:11	Synthesis and pharmacology of trans-4-n-propyl-3,4,4a,10b-tetrahydro-2H,5H-1-benzopyrano[4,3-b ]-1,4-oxazin-7- and -9-ols: the significance of nitrogen pKa values for central dopamine receptor activation.
AID447397	Agonistic activity at DRD3 receptor	2009	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 19, Issue:17	Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part 3: Radiosynthesis and in vivo studies.
AID243216	Percent change in rat brain dopamine D2/sigma receptor binding after in rat brain after 0.2 mg/kg haloperidol treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243210	Percent change in rat brain adrenergic receptor alpha 2A binding to in rat brain after 0.1 mg/kg MK-912 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243196	Percent change in rat brain dopamine transporter binding after 5 mg/kg RTI-32 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID243195	Percent change in rat brain dopamine transporter binding after 2 mg/kg RTI-32 treatment	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
AID63675	Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells; ND means Not Determined	2000	Journal of medicinal chemistry, Jul-27, Volume: 43, Issue:15	Synthesis and pharmacological evaluation of thiopyran analogues of the dopamine D3 receptor-selective agonist (4aR,10bR)-(+)-trans-3,4,4a,10b-tetrahydro-4-n-propyl-2H,5H [1]b enzopyrano[4,3-b]-1,4-oxazin-9-ol (PD 128907).
AID1079933	Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID243203	Effect on compound specific binding to dopamine release in rat brain upon pre-treatment with 0.1 mg/kg amphetamine	2005	Journal of medicinal chemistry, Jun-16, Volume: 48, Issue:12	Radiosynthesis and evaluation of [11C]-(+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a potential radiotracer for in vivo imaging of the dopamine D2 high-affinity state with positron emission tomography.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	32 (20.65)	18.7374
1990's	39 (25.16)	18.2507
2000's	28 (18.06)	29.6817
2010's	53 (34.19)	24.3611
2020's	3 (1.94)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	8 (5.03%)	5.53%
Reviews	4 (2.52%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	147 (92.45%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Trial	Phase	Enrollment	Study Type	Start Date	Status
A Phase 1, Open-Label, Positron Emission Tomography Study in Healthy Subjects to Determine the Effect of TAK-041 on Amphetamine-Induced Dopamine Release in the CNS After Single-Dose Oral Administration[NCT02959892]	Phase 1	12 participants (Actual)	Interventional	2016-12-05	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Intervention	percentage of reduction (Mean)
	Pu	Vst
TAK-041 20 mg	17	14
TAK-041 40 mg	36	23

Intervention	percentage of reduction (Mean)
	Pu	VSt
TAK-041 20 mg	17	14
TAK-041 40 mg	36	23

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
7-hydroxy-2-n,n-dipropylaminotetralin	[no description available]	medium	3	0	tetralins
apomorphine	[no description available]	medium	15	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
5-hydroxy-2-n,n-dipropylaminotetralin	[no description available]	medium	1	0
pd 128907	[no description available]	medium	2	0	1-benzopyran
quinpirole	[no description available]	medium	6	0	pyrazoloquinoline	dopamine agonist
pd 128907	[no description available]	medium	1	0
sb 277011	[no description available]	medium	3	0
raclopride	[no description available]	medium	22	1	salicylamides
cotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
nicotine	[no description available]	medium	2	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
blonanserin	[no description available]	medium	1	0	organic molecular entity
piperidines	[no description available]	medium	2	0
dihydroxyphenylalanine	[no description available]	medium	1	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
fluorodopa f 18	[no description available]	medium	1	0	(18)F radiopharmaceutical; 6-fluoro-L-dopa
amphetamine	[no description available]	medium	9	0	primary amine
tryptophan	[no description available]	medium	1	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
oxazoles	[no description available]	medium	2	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
gsk598809	[no description available]	medium	2	0
buspirone	[no description available]	medium	2	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
benzofurans	[no description available]	medium	1	0
nnc 112	[no description available]	medium	1	0	benzazepine
methoxyhydroxyphenylglycol	[no description available]	medium	1	0	methoxybenzenes; phenols
homovanillic acid	[no description available]	medium	4	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
racemetirosine	[no description available]	medium	2	0
pramipexole	[no description available]	medium	3	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
pramipexole	[no description available]	medium	3	1	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
cariprazine	[no description available]	medium	1	0
prazosin	[no description available]	medium	2	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
vitamin k 1	[no description available]	medium	1	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
domperidone	[no description available]	medium	4	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
2-phytyl-1,4-naphthoquinone	[no description available]	medium	1	0	phylloquinones
guanosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	1	0	nucleoside triphosphate analogue
risperidone	[no description available]	medium	2	1	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
clozapine	[no description available]	medium	2	1	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
olanzapine	[no description available]	medium	1	1	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
n-n-propylnorapomorphine	[no description available]	medium	1	0
gsk690693	[no description available]	medium	1	0	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
oxadiazoles	[no description available]	medium	1	0
isoflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
2-naphthol	[no description available]	medium	1	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
thiazoles	[no description available]	medium	1	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
remoxipride	[no description available]	medium	2	0	dimethoxybenzene
thiophenes	[no description available]	medium	5	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
fauc 365	[no description available]	medium	1	0
bp 897	[no description available]	medium	1	0	naphthalenecarboxamide
dextroamphetamine	[no description available]	medium	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
haloperidol	[no description available]	medium	5	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
sertindole	[no description available]	medium	1	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
4-butyrolactone	[no description available]	medium	1	0	butan-4-olide	metabolite; neurotoxin
clonidine	[no description available]	medium	2	0	clonidine; imidazoline
mianserin	[no description available]	medium	1	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
ergoline	[no description available]	medium	9	0	diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound
spiperone	[no description available]	medium	2	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
oxidopamine	[no description available]	medium	4	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
neurokinin a	[no description available]	medium	1	0
cp 99994	[no description available]	medium	1	0
substance p	[no description available]	medium	1	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
substance p, sar(9)-met(o2)(11)-	[no description available]	medium	1	0
n-methylaspartate	[no description available]	medium	1	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
sk&f-38393	[no description available]	medium	9	0	benzazepine; catechols; secondary amino compound
cocaine	[no description available]	medium	3	0	benzoate 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
vanoxerine	[no description available]	medium	1	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
sk&f 77434	[no description available]	high	2	0	benzazepine; catechols; tertiary amino compound	dopamine agonist
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid
ibotenic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	neurotoxin
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	12	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline	[no description available]	medium	1	0	naphthalenes; sulfonic acid derivative
cy 208-243	[no description available]	medium	6	0	phenanthridines
quinoxalines	[no description available]	medium	1	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin	[no description available]	medium	1	0	tetralins
ecopipam	[no description available]	medium	3	0	benzazepine
n-n-propyl-n-phenylethyl-4(3-hydroxyphenyl)ethylamine hydrochloride	[no description available]	medium	1	0
lisuride	[no description available]	medium	6	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
n 0437, (-)-isomer	[no description available]	medium	4	0	tetralins
bromocriptine	[no description available]	medium	4	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
sulpiride	[no description available]	medium	4	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
guanylyl imidodiphosphate	[no description available]	medium	1	0	nucleoside triphosphate analogue
1-methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine	[no description available]	medium	1	0
eticlopride	[no description available]	medium	2	0	salicylamides
flupenthixol	[no description available]	medium	1	0	thioxanthenes
quinelorane	[no description available]	medium	3	0	quinazolines
methamphetamine	[no description available]	medium	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
n-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide	[no description available]	medium	1	0
dihydrexidine	[no description available]	medium	2	0	phenanthridines
sk&f 81297	[no description available]	medium	3	0	benzazepine
2-iodomelatonin	[no description available]	medium	2	0	acetamides
melatonin	[no description available]	medium	2	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
3,4,4a,10b-tetrahydro-4-propyl-2h,5h-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol	[no description available]	medium	1	0
mk 458	[no description available]	medium	1	0	hydrochloride	anticonvulsant; antiparkinson drug; dopamine agonist
pergolide	[no description available]	medium	6	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
lactose	[no description available]	medium	2	0	lactose
methylcellulose	[no description available]	medium	2	0
levodopa	[no description available]	medium	17	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
levodopa	[no description available]	medium	17	1	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
l-3-(3-hydroxy-4-pivaloyloxyphenyl)alanine	[no description available]	medium	1	0
carbidopa	[no description available]	medium	7	1
(3h)2-carbomethoxy-3-(4-fluorophenyl)tropane	[no description available]	medium	1	0
l 365260	[no description available]	medium	1	0	benzodiazepine
devazepide	[no description available]	medium	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
cholecystokinin	[no description available]	medium	1	0
5,7-dihydroxytryptamine	[no description available]	medium	1	0
carbidopa, levodopa drug combination	[no description available]	medium	2	0
3-methylcholanthrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
phenobarbital	[no description available]	medium	1	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
colforsin	[no description available]	medium	2	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
desipramine	[no description available]	medium	1	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
kainic acid	[no description available]	medium	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
nomifensine	[no description available]	medium	1	0	isoquinolines	dopamine uptake inhibitor
angiotensin ii	[no description available]	medium	1	0	amino acid zwitterion; angiotensin II	human metabolite
corticosterone	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
3,4-dihydroxyphenylacetic acid	[no description available]	medium	1	0	catechols; dihydroxyphenylacetic acid	human metabolite
deoxyglucose	[no description available]	medium	1	0
reserpine	[no description available]	medium	1	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
aspartic acid	[no description available]	medium	1	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
bicuculline	[no description available]	medium	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
amantadine	[no description available]	low	0	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
benserazide	[no description available]	low	0	0	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
biperiden	[no description available]	medium	0	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
carbinoxamine	[no description available]	medium	0	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
cycrimine	[no description available]	medium	0	0	piperidines; tertiary alcohol; tertiary amino compound	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
diphenhydramine	[no description available]	medium	0	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
profenamine	[no description available]	medium	0	0	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist
memantine	[no description available]	low	0	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
methixene	[no description available]	low	0	0	piperidines; thioxanthenes	antiparkinson drug; histamine antagonist; muscarinic antagonist
minaprine	[no description available]	low	0	0	morpholines; pyridazines; secondary amine	antidepressant; antiparkinson drug; cholinergic drug; dopamine uptake inhibitor; serotonin uptake inhibitor
orphenadrine	[no description available]	medium	0	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
pridinol	[no description available]	low	0	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant
procyclidine	[no description available]	low	0	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
ropinirole	[no description available]	low	0	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
diphenhydramine hydrochloride	[no description available]	low	0	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
orphenadrine hydrochloride	[no description available]	low	0	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
selegiline hydrochloride, (r)-isomer	[no description available]	low	0	0	hydrochloride; terminal acetylenic compound	antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor
benserazide hydrochloride	[no description available]	low	0	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
2-bromoergocryptine mesylate	[no description available]	low	0	0	methanesulfonate salt	antiparkinson drug
carbidopa	[no description available]	low	0	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
carbidopa	[no description available]	low	0	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pergolide mesylate	[no description available]	low	0	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
cabergoline	[no description available]	low	0	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
mesulergine	[no description available]	low	0	0	ergot alkaloid; sulfamides	antiparkinson drug; dopamine agonist; serotonergic antagonist
biperiden hydrochloride	[no description available]	low	0	0	hydrochloride; piperidines; tertiary alcohol	antiparkinson drug; muscarinic antagonist; parasympatholytic
profenamine hydrochloride	[no description available]	low	0	0	hydrochloride	adrenergic antagonist; antiparkinson drug; histamine antagonist; muscarinic antagonist
memantine hydrochloride	[no description available]	low	0	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
tolcapone	[no description available]	low	0	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
entacapone	[no description available]	low	0	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
carbinoxamine maleate	[no description available]	low	0	0	maleate salt	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
a 77636	[no description available]	low	0	0	adamantanes; catechols; isochromenes; primary amino compound	antiparkinson drug; dopamine agonist
a 77636	[no description available]	low	0	0	hydrochloride	antiparkinson drug; dopamine agonist
(S)-carbinoxamine maleate	[no description available]	low	0	0	carbinoxamine maleate	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
fenoldopam	[no description available]	low	0	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
lysergic acid diethylamide	[no description available]	low	0	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
dihydroergotamine	[no description available]	low	0	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
metergoline	[no description available]	low	0	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
carmoxirole	[no description available]	medium	0	0	indolecarboxylic acid; tertiary amino compound; tetrahydropyridine	antihypertensive agent; dopamine agonist; platelet aggregation inhibitor
amantadine hydrochloride	[no description available]	low	0	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
sk&f 83959	[no description available]	medium	0	0	benzazepine; catechols; organochlorine compound; tertiary amino compound	dopamine agonist
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin	[no description available]	medium	0	0	organoiodine compound; phenols; tertiary amino compound; tetralins	dopamine agonist
ly 404039	[no description available]	low	0	0	bridged compound; dicarboxylic acid; non-proteinogenic amino acid derivative; organic heterobicyclic compound; sulfone	antipsychotic agent; anxiolytic drug; dopamine agonist; metabotropic glutamate receptor agonist
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide	[no description available]	low	0	0	hydrobromide	dopamine agonist; prodrug
sk&f 77434	[no description available]	low	0	0	hydrobromide	dopamine agonist; prodrug
aminooxyacetic acid	[no description available]	low	0	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
vanillin	[no description available]	medium	0	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
tramiprosate	[no description available]	low	0	0	amino sulfonic acid; zwitterion	algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent
phenytoin	[no description available]	low	0	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
acetazolamide	[no description available]	low	0	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
alprazolam	[no description available]	low	0	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
aminoglutethimide	[no description available]	low	0	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
carbamazepine	[no description available]	low	0	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
clobazam	[no description available]	low	0	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clonazepam	[no description available]	low	0	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
chlorazepate	[no description available]	low	0	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
nordazepam	[no description available]	low	0	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
diazepam	[no description available]	low	0	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
valproic acid	[no description available]	low	0	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
estazolam	[no description available]	low	0	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethosuximide	[no description available]	low	0	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
ethotoin	[no description available]	low	0	0	imidazolidine-2,4-dione	anticonvulsant
felbamate	[no description available]	low	0	0	carbamate ester	anticonvulsant; neuroprotective agent
flurazepam	[no description available]	medium	0	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
gabapentin	[no description available]	low	0	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
lamotrigine	[no description available]	low	0	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
meclofenamic acid	[no description available]	low	0	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
mephenytoin	[no description available]	low	0	0	imidazolidine-2,4-dione	anticonvulsant
midazolam	[no description available]	low	0	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
nimetazepam	[no description available]	low	0	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; GABA modulator; sedative
nitrazepam	[no description available]	low	0	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
palmidrol	[no description available]	low	0	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
prilocaine	[no description available]	low	0	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
primidone	[no description available]	low	0	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
propofol	[no description available]	medium	0	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
trimethadione	[no description available]	low	0	0	oxazolidinone	anticonvulsant; geroprotector
troglitazone	[no description available]	low	0	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
vigabatrin	[no description available]	low	0	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
zaleplon	[no description available]	low	0	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zonisamide	[no description available]	low	0	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
androsterone	[no description available]	low	0	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
lysine	[no description available]	low	0	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
mephobarbital	[no description available]	low	0	0	barbiturates	anticonvulsant
paramethadione	[no description available]	low	0	0	oxazolidinone	anticonvulsant
6-methoxybenzoxazolinone	[no description available]	low	0	0	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite
tricaprylin	[no description available]	low	0	0	octanoate ester; triglyceride	anticonvulsant; plant metabolite
decan-4-olide	[no description available]	low	0	0	gamma-lactone; tetrahydrofuranone	anticonvulsant; flavouring agent; food additive
magnesium sulfate	[no description available]	low	0	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
sodium selenate	[no description available]	low	0	0	inorganic sodium salt	anticonvulsant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; fertilizer
didesethylflurazepam	[no description available]	low	0	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; primary amino compound	anticonvulsant; anxiolytic drug; drug metabolite; GABAA receptor agonist; sedative
oxcarbazepine	[no description available]	low	0	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
adinazolam	[no description available]	low	0	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
midazolam hydrochloride	[no description available]	low	0	0	hydrochloride; imidazobenzodiazepine	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
tiagabine	[no description available]	medium	0	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
pyrrolidine dithiocarbamate	[no description available]	low	0	0	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
glutaurine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid	anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite
tiagabine hydrochloride	[no description available]	low	0	0	hydrochloride	anticonvulsant; GABA reuptake inhibitor
zofenopril	[no description available]	low	0	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester	anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent
palmitone	[no description available]	low	0	0	dialkyl ketone	anticonvulsant; metabolite
paxilline	[no description available]	low	0	0	diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol	anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker
10-hydroxycarbamazepine	[no description available]	low	0	0	carboxamide; dibenzoazepine; ureas	anticonvulsant; drug allergen; sodium channel blocker
ezogabine	[no description available]	low	0	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
clorazepate dipotassium	[no description available]	low	0	0	potassium salt	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
eslicarbazepine acetate	[no description available]	low	0	0	acetate ester; carboxamide; dibenzoazepine; ureas	anticonvulsant; drug allergen
dizocilpine	[no description available]	low	0	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
carnosine	[no description available]	low	0	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
solasodine	[no description available]	low	0	0	alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid	anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent
L-cycloserine	[no description available]	low	0	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
alpha-asarone	[no description available]	low	0	0	asarone	anticonvulsant; GABA modulator
thiopental	[no description available]	low	0	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
zofenoprilate	[no description available]	low	0	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol	anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
acacetin	[no description available]	low	0	0	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite
hispidulin	[no description available]	low	0	0	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
levetiracetam	[no description available]	low	0	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
topiramate	[no description available]	low	0	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
pregabalin	[no description available]	low	0	0	gamma-amino acid	anticonvulsant; calcium channel blocker
dizocilpine maleate	[no description available]	low	0	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
sdz eaa 494	[no description available]	medium	0	0	monocarboxylic acid; olefinic compound; phosphonic acids; piperazinecarboxylic acid; tertiary amino compound	anticonvulsant; neuroprotective agent; NMDA receptor antagonist
ro 25-6981	[no description available]	medium	0	0	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist
3,3-diethyl-2-pyrrolidinone	[no description available]	low	0	0	pyrrolidin-2-ones	anticonvulsant; geroprotector
ucb 34714	[no description available]	low	0	0	gamma-lactam; non-proteinogenic amino acid derivative	anticonvulsant
perampanel	[no description available]	low	0	0	bipyridines; nitrile; pyridone	AMPA receptor antagonist; anticonvulsant
arachidonoylserotonin	[no description available]	medium	0	0	N-acylserotonin; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule
meclofenamate sodium anhydrous	[no description available]	low	0	0	hydrate	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
quinacrine	[no description available]	low	0	0	acridines; 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]	low	0	0	phenols; tertiary amino compound; tetralins	serotonergic antagonist
pd 173074	[no description available]	low	0	0	aromatic 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]	low	0	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
methylbufotenin	[no description available]	low	0	0	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite
ro 48-8071	[no description available]	low	0	0	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor
amiodarone	[no description available]	low	0	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amodiaquine	[no description available]	low	0	0	aminoquinoline; 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]	low	0	0	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
azelastine	[no description available]	low	0	0	monochlorobenzenes; 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]	low	0	0	C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound	agrochemical; herbicide
bromhexine	[no description available]	low	0	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
bromodiphenhydramine	[no description available]	low	0	0	organobromine compound; tertiary amino compound	antimicrobial agent; H1-receptor antagonist; muscarinic antagonist
bupivacaine	[no description available]	low	0	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
verapamil	[no description available]	low	0	0	aromatic ether; nitrile; polyether; tertiary amino compound
chlorambucil	[no description available]	low	0	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chloroquine	[no description available]	low	0	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorpheniramine	[no description available]	low	0	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
citalopram	[no description available]	low	0	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clofedanol	[no description available]	low	0	0	diarylmethane; tertiary amino compound	antitussive
cyclopentolate	[no description available]	low	0	0	carboxylic ester; tertiary alcohol; tertiary amino compound	diagnostic agent; muscarinic antagonist; mydriatic agent; parasympatholytic
dibucaine	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dilacor xr	[no description available]	low	0	0	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound
dipyridamole	[no description available]	low	0	0	piperidines; 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]	low	0	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol	[no description available]	low	0	0	benzyl alcohols; fatty amide; morpholines; secondary alcohol; tertiary amino compound
doxepin	[no description available]	low	0	0	dibenzooxepine; tertiary amino compound	antidepressant
flavoxate	[no description available]	low	0	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
gbr 12935	[no description available]	low	0	0	ether; N-alkylpiperazine; tertiary amino compound	dopamine uptake inhibitor
hydroxychloroquine	[no description available]	low	0	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
lidocaine	[no description available]	low	0	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
isothipendyl	[no description available]	low	0	0	aromatic amine; tertiary amino compound
ketotifen	[no description available]	low	0	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
lofepramine	[no description available]	low	0	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	[no description available]	low	0	0	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
meperidine	[no description available]	low	0	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mesoridazine	[no description available]	low	0	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methadone	[no description available]	low	0	0	benzenes; diarylmethane; ketone; tertiary amino compound
methiothepin	[no description available]	low	0	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
metoclopramide	[no description available]	low	0	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
minoxidil	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
monodansylcadaverine	[no description available]	low	0	0	aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent
mosapramine	[no description available]	low	0	0	azaspiro compound; dibenzoazepine; organochlorine compound; tertiary amino compound
clorgyline	[no description available]	low	0	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
nefopam	[no description available]	low	0	0	benzoxazocine; tertiary amino compound
nicardipine	[no description available]	low	0	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nizatidine	[no description available]	low	0	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
benoxinate	[no description available]	low	0	0	amino acid ester; benzoate ester; substituted aniline; tertiary amino compound	drug allergen; local anaesthetic; topical anaesthetic
oxybutynin	[no description available]	low	0	0	acetylenic 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]	low	0	0	pyridines; tertiary amino compound
pipamperone	[no description available]	low	0	0	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
piromidic acid	[no description available]	low	0	0	monocarboxylic acid; pyridopyrimidine; pyrrolidines; quinolone antibiotic; tertiary amino compound	antibacterial drug; DNA synthesis inhibitor
pj-34	[no description available]	low	0	0	phenanthridines; 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]	low	0	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
propiomazine	[no description available]	low	0	0	aromatic ketone; phenothiazines; tertiary amino compound	dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist
psilocin	[no description available]	low	0	0	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist
7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol	[no description available]	low	0	0	benzazepine; organochlorine compound; tertiary amino compound	dopaminergic antagonist
setiptiline	[no description available]	low	0	0	tertiary amino compound; tetracyclic antidepressant	alpha-adrenergic antagonist; serotonergic antagonist
sibutramine	[no description available]	low	0	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
tetracaine	[no description available]	low	0	0	benzoate ester; tertiary amino compound	local anaesthetic
tilorone	[no description available]	low	0	0	aromatic 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]	low	0	0	1,8-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]	low	0	0	N-substituted diamine; pyridines; tertiary amino compound	apoptosis inducer; chelator; copper chelator
ultram	[no description available]	low	0	0	aromatic ether; tertiary alcohol; tertiary amino compound
trimethobenzamide	[no description available]	low	0	0	benzamides; tertiary amino compound	antiemetic
trimipramine	[no description available]	low	0	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
venlafaxine	[no description available]	low	0	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
zotepine	[no description available]	low	0	0	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug
phentolamine	[no description available]	low	0	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
vincristine	[no description available]	low	0	0	acetate 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]	low	0	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
tetrabenazine	[no description available]	low	0	0	benzoquinolizine; cyclic ketone; tertiary amino compound
acepromazine	[no description available]	low	0	0	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug
egtazic acid	[no description available]	low	0	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
gramine	[no description available]	low	0	0	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
thenyldiamine	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
4-(dimethylamino)benzaldehyde	[no description available]	low	0	0	benzaldehydes; substituted aniline; tertiary amino compound	chromogenic compound
2-diethylaminoethanol	[no description available]	low	0	0	ethanolamines; primary alcohol; tertiary amino compound
triethanolamine	[no description available]	low	0	0	amino alcohol; tertiary amino compound; triol	buffer; surfactant
4-nitrosodimethylaniline	[no description available]	low	0	0	dimethylaniline; nitroso compound; tertiary amino compound
triethylenediamine	[no description available]	low	0	0	bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound	antioxidant; catalyst; reagent
galantamine	[no description available]	low	0	0	benzazepine 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]	low	0	0	delta-lactone; indole alkaloid; organic heterotetracyclic compound; tertiary amino compound	muscle relaxant; plant metabolite
psilocybin	[no description available]	low	0	0	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist
neutral red base	[no description available]	low	0	0	aromatic amine; phenazines; primary amino compound; tertiary amino compound	acid-base indicator; dye; two-colour indicator
benzydamine	[no description available]	low	0	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
4-dimethylaminopyridine	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
prothipendyl	[no description available]	low	0	0	aromatic amine; tertiary amino compound
dymanthine	[no description available]	low	0	0	tertiary amino compound
azaperone	[no description available]	low	0	0	aminopyridine; aromatic ketone; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist
glaucine	[no description available]	low	0	0	aporphine 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]	low	0	0	glycine derivative; phosphonic acids; tertiary amino compound	plant growth retardant
c.i. solvent yellow 56	[no description available]	low	0	0	azobenzenes; substituted aniline; tertiary amino compound	dye; mutagen
4-dimethylaminophenol	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
ethyl 4-dimethylaminobenzoate	[no description available]	low	0	0	benzoate ester; ethyl ester; tertiary amino compound
mopidamol	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
thenalidine	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
oryzalin	[no description available]	low	0	0	aromatic amine; C-nitro compound; sulfonamide; tertiary amino compound	agrochemical; antimitotic; herbicide
pirimicarb	[no description available]	low	0	0	aminopyrimidine; 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]	low	0	0	delta-lactone; organic heterotetracyclic compound; tertiary amino compound	nicotinic antagonist
propamocarb	[no description available]	low	0	0	carbamate ester; carbamate fungicide; tertiary amino compound	antifungal agrochemical; environmental contaminant; xenobiotic
tridemorph	[no description available]	low	0	0	morpholines; tertiary amino compound	antifungal agrochemical
amitraz	[no description available]	low	0	0	formamidines; tertiary amino compound	acaricide; environmental contaminant; insecticide; xenobiotic
butaclamol	[no description available]	low	0	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolinol; tertiary amino compound	human metabolite; neurotoxin; rat metabolite
vx	[no description available]	low	0	0	organic thiophosphate; tertiary amino compound	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin
vindesine	[no description available]	low	0	0	methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent
miglustat	[no description available]	low	0	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
loceryl	[no description available]	low	0	0	morpholine 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]	low	0	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
temafloxacin	[no description available]	low	0	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
eliprodil	[no description available]	low	0	0	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
irinotecan	[no description available]	low	0	0	carbamate 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]	low	0	0	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic; tranquilizing drug
acridine orange	[no description available]	low	0	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
tenocyclidine	[no description available]	low	0	0	piperidines; tertiary amino compound; thiophenes	central nervous system stimulant; hallucinogen; neuroprotective agent; NMDA receptor antagonist
nelfinavir	[no description available]	low	0	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
plerixafor	[no description available]	low	0	0	azacycloalkane; 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]	low	0	0	aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound	fluorochrome; histological dye
cephalotaxine	[no description available]	low	0	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound
d 888	[no description available]	low	0	0	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent
4-(diethylamino)benzaldehyde	[no description available]	low	0	0	aromatic amine; benzaldehydes; tertiary amino compound	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
spiramide	[no description available]	low	0	0	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist
propildazine	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
uk 68798	[no description available]	low	0	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
hp 873	[no description available]	low	0	0	1,2-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]	low	0	0	beta-carbolines; isoquinoline alkaloid; isoquinolines; phenols; secondary amino compound; tertiary amino compound
voacamine	[no description available]	low	0	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite
dauricine	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite
rivastigmine	[no description available]	low	0	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
dimethylformamide-dimethylacetal	[no description available]	low	0	0	acetal; tertiary amino compound	chromatographic reagent
n-(3-(dimethylamino)propyl)methacrylamide	[no description available]	low	0	0	tertiary amino compound
n,n-diisopropylethylamine	[no description available]	low	0	0	tertiary amino compound
spiroxamine	[no description available]	low	0	0	dioxolane; spiroketal; tertiary amino compound	antifungal agrochemical; environmental contaminant; sterol biosynthesis inhibitor; xenobiotic
mor-14	[no description available]	low	0	0	hydroxypiperidine; 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]	low	0	0	1,3,5-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]	low	0	0	aromatic ether; cyclic acetal; cyclic ketone; dibenzazecine alkaloid; organic heterotetracyclic compound; tertiary amino compound
sporidesmin	[no description available]	low	0	0	aromatic 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]	low	0	0	methyl 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]	low	0	0	acetate 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]	low	0	0	aporphine alkaloid; isoquinoline alkaloid fundamental parent; tertiary amino compound
efonidipine	[no description available]	low	0	0	C-nitro compound; carboxylic ester; dihydropyridine; tertiary amino compound
mosapride	[no description available]	low	0	0	aromatic 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]	low	0	0	benzenes; coumarins; maleimides; tertiary amino compound	fluorescent dye
gefitinib	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
lofentanil	[no description available]	low	0	0	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine	[no description available]	low	0	0	1-benzothiophenes; piperidines; tertiary amino compound	dopamine uptake inhibitor
desvenlafaxine	[no description available]	low	0	0	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite
xaliproden	[no description available]	low	0	0	(trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine	serotonergic agonist
ulipristal acetate	[no description available]	low	0	0	20-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]	low	0	0	dialkylarylamine; tertiary amino compound
ivabradine	[no description available]	low	0	0	aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound	cardiotonic drug
2,8-dinitroimipramine	[no description available]	low	0	0	C-nitro compound; dibenzoazepine; tertiary amino compound
corytuberine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	plant metabolite
5,6-didehydrosparteine	[no description available]	low	0	0	organic heterotetracyclic compound; quinolizidine alkaloid; tertiary amino compound	human xenobiotic metabolite
stephenanthrine	[no description available]	low	0	0	cyclic acetal; organic heterotetracyclic compound; tertiary amino compound
hydromethylthionine	[no description available]	low	0	0	aromatic amine; phenothiazines; tertiary amino compound	bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite
nbi 27914	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
top 53	[no description available]	low	0	0	furonaphthodioxole; 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]	low	0	0	pyrrolopyrimidine; tertiary amino compound	corticotropin-releasing factor receptor antagonist
alpha-putrescinylthymine	[no description available]	low	0	0	N-substituted putrescine; pyrimidine nucleobase; pyrimidone; secondary amino compound; tertiary amino compound
dronedarone	[no description available]	low	0	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic
2-(4-morpholinoanilino)-6-cyclohexylaminopurine	[no description available]	low	0	0	morpholines; 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]	low	0	0	imidazoles; 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]	low	0	0	acetate 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]	low	0	0	aromatic 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]	low	0	0	alanine derivative; leucine derivative; non-proteinogenic alpha-amino acid; tertiary amino compound
nsc 23766	[no description available]	low	0	0	aminopyrimidine; 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]	low	0	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
conessine	[no description available]	low	0	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
rocuronium	[no description available]	low	0	0	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent
deltaline	[no description available]	low	0	0	acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound
oxyacanthine	[no description available]	low	0	0	bisbenzylisoquinoline alkaloid; isoquinolines; macrocycle; phenols; tertiary amino compound
ergonovine	[no description available]	low	0	0	ergot 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]	low	0	0	acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound	adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent
afimoxifene	[no description available]	low	0	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
efinaconazole	[no description available]	low	0	0	conazole 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]	low	0	0	hydroxypiperidine; 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]	low	0	0	dialkylarylamine; tertiary amino compound
n-methylproline	[no description available]	low	0	0	L-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]	low	0	0	dialkylarylamine; tertiary amino compound
N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine	[no description available]	low	0	0	aromatic amine; tertiary amino compound
tiamulin	[no description available]	low	0	0	carbotricyclic 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]	low	0	0	aromatic amine; tertiary amino compound
N-[4-(diethylamino)phenyl]-N'-phenylurea	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine	[no description available]	low	0	0	piperidines; quinazolines; tertiary amino compound; toluenes
4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine	[no description available]	low	0	0	aromatic amine; tertiary amino compound
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol	[no description available]	low	0	0	aromatic amine; tertiary amino compound
4-[[4-bromo-5-(4-morpholinyl)-2-furanyl]methylideneamino]phenol	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine	[no description available]	low	0	0	pyridines; quinazolines; tertiary amino compound
2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
2-[[4-(4-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide	[no description available]	low	0	0	morpholines; pyrimidone; secondary carboxamide; tertiary amino compound
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide	[no description available]	low	0	0	aromatic amine; tertiary amino compound
tamoxifen	[no description available]	low	0	0	stilbenoid; 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]	low	0	0	dialkylarylamine; tertiary amino compound
wiskostatin	[no description available]	low	0	0	carbazoles; 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]	low	0	0	dialkylarylamine; tertiary amino compound
3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine	[no description available]	low	0	0	aromatic amine; tertiary amino compound
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylaniline	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
ranitidine	[no description available]	low	0	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
stenusin	[no description available]	low	0	0	piperidine alkaloid; tertiary amino compound
tandutinib	[no description available]	low	0	0	aromatic 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]	low	0	0	1,3-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]	low	0	0	monoterpenoid 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]	low	0	0	dialkylarylamine; tertiary amino compound
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone	[no description available]	low	0	0	aromatic amine; tertiary amino compound
N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
5-(1-azepanyl)-1,3,4-thiadiazol-2-amine	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
nafadotride	[no description available]	low	0	0	aromatic 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]	low	0	0	aromatic amine; tertiary amino compound
clopidogrel carboxylic acid	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes; tertiary amino compound; thienopyridine	drug metabolite; marine xenobiotic metabolite
LY-310762	[no description available]	low	0	0	aromatic ketone; monofluorobenzenes; oxindoles; piperidines; tertiary amino compound	receptor modulator; serotonergic antagonist
ly 367265	[no description available]	low	0	0	dihydropyridine; 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]	low	0	0	aromatic 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]	low	0	0	dialkylarylamine; tertiary amino compound
mycophenolate mofetil	[no description available]	low	0	0	carboxylic 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]	low	0	0	enoate 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]	low	0	0	acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound	antibacterial drug; metabolite
acetylspiramycin	[no description available]	low	0	0	acetate ester; aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
n,n-dimethylsphingenine	[no description available]	low	0	0	aminodiol; sphingoid; tertiary amino compound	EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite
alvocidib	[no description available]	low	0	0	dihydroxyflavone; 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]	low	0	0	1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound	Hsp90 inhibitor
morphine	[no description available]	low	0	0	morphinane 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]	low	0	0	monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound	EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector
bosutinib	[no description available]	low	0	0	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
su 11652	[no description available]	low	0	0	olefinic 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]	low	0	0	aminopyridine; 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]	low	0	0	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor
catharanthine	[no description available]	low	0	0	alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound
oripavine	[no description available]	low	0	0	ether; morphinane alkaloid; organic heteropentacyclic compound; organic hydroxy compound; tertiary amino compound	bacterial xenobiotic metabolite; opioid analgesic
cinanserin	[no description available]	low	0	0	aryl 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]	low	0	0	benzenes; morpholines; secondary carboxamide; tertiary amino compound; thiazolidinone	ferroptosis inducer
demycarosylturimycin h	[no description available]	low	0	0	aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
yunaconitine	[no description available]	low	0	0	acetate 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]	low	0	0	dialkylarylamine; tertiary amino compound
prasugrel	[no description available]	low	0	0	acetate ester; cyclopropanes; ketone; monofluorobenzenes; tertiary amino compound; thienopyridine
bay 58-2667	[no description available]	low	0	0	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
muromonab-cd3	[no description available]	low	0	0	alkaloid; 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]	low	0	0	acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
pi103	[no description available]	low	0	0	aromatic 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]	low	0	0	aromatic 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]	low	0	0	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor
tofacitinib	[no description available]	low	0	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
mre 269	[no description available]	low	0	0	aromatic 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]	low	0	0	aromatic ether; hydrochloride; methoxybenzenes; tertiary amino compound	antipsychotic agent; receptor modulator
NNC 55-0396 (free base)	[no description available]	low	0	0	benzimidazoles; 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]	low	0	0	1,3-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]	low	0	0	aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas	5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist
bibw 2992	[no description available]	low	0	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
edoxaban	[no description available]	low	0	0	chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor
akuammicine	[no description available]	low	0	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite
crenolanib	[no description available]	low	0	0	aminopiperidine; 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]	low	0	0	aromatic 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]	low	0	0	aromatic 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]	low	0	0	aromatic 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]	low	0	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
pf 00299804	[no description available]	low	0	0	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
finafloxacin	[no description available]	low	0	0	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent
sarpagine	[no description available]	low	0	0	indole 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]	low	0	0	alkaloid; 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]	low	0	0	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor
ku 0063794	[no description available]	low	0	0	benzyl 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]	low	0	0	aromatic ether; coumarins; pyrrolidines; tertiary amino compound
flupyradifurone	[no description available]	low	0	0	butenolide; enamine; monochloropyridine; organofluorine insecticide; tertiary amino compound	insecticide; nicotinic acetylcholine receptor agonist
alcaftadine	[no description available]	low	0	0	aldehyde; imidazobenzazepine; piperidines; tertiary amino compound	anti-allergic agent; H1-receptor antagonist
benzoylaconine	[no description available]	low	0	0	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	phytotoxin; plant metabolite
deoxyaconitine	[no description available]	low	0	0	acetate 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]	low	0	0	dialkylarylamine; tertiary amino compound
2-[[4-(2-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol	[no description available]	low	0	0	dialkylarylamine; tertiary amino compound
vindolinine	[no description available]	low	0	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite
tenovin-6	[no description available]	low	0	0	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor
lde225	[no description available]	low	0	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
benzoylmesaconine	[no description available]	low	0	0	benzoate 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]	low	0	0	biaryl; 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]	low	0	0	aryl 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]	low	0	0	aminopyrimidine; 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]	low	0	0	benzyl 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]	low	0	0	dialkylarylamine; 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]	low	0	0	dialkylarylamine; 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]	low	0	0	dialkylarylamine; 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]	low	0	0	dialkylarylamine; 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]	low	0	0	dialkylarylamine; 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]	low	0	0	dialkylarylamine; tertiary amino compound
cblc137	[no description available]	low	0	0	aromatic 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]	low	0	0	dialkylarylamine; tertiary amino compound
lrrk2-in1	[no description available]	low	0	0	aromatic 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]	low	0	0	hydroxamic acid; pyridoindole; tertiary amino compound	EC 3.5.1.98 (histone deacetylase) inhibitor
pracinostat	[no description available]	low	0	0	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
delgocitinib	[no description available]	low	0	0	azaspiro 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]	low	0	0	N-acylpiperidine; N-acylpyrrolidine; pyrrolopyrimidine; tertiary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
AZD3463	[no description available]	low	0	0	aminopiperidine; 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]	low	0	0	benzenes; 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]	low	0	0	acrylamides; 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]	low	0	0	organofluorine 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]	low	0	0	aromatic ether; cyclopropanes; indazoles; morpholines; pyrimidines; tertiary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ap20187	[no description available]	low	0	0	aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound	ligand
BDA-366	[no description available]	low	0	0	anthraquinone; 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]	low	0	0	dialkylarylamine; tertiary amino compound
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	[no description available]	low	0	0	hydroxyindoles; 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]	low	0	0	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound
sotorasib	[no description available]	low	0	0	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent
5-methoxypsoralen	[no description available]	low	0	0	5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens	hepatoprotective agent; plant metabolite
beta-naphthoflavone	[no description available]	low	0	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
etodolac	[no description available]	low	0	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluorescite	[no description available]	low	0	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
khellin	[no description available]	low	0	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
oxolinic acid	[no description available]	low	0	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
ro 15-4513	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound
skimmianine	[no description available]	low	0	0	alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
benzo(b)naphtho(2,1-d)thiophene	[no description available]	low	0	0	organic heterotricyclic compound; organosulfur heterocyclic compound
kokusaginine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cytisine	[no description available]	low	0	0	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
alpha-naphthoflavone	[no description available]	low	0	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
naftalofos	[no description available]	low	0	0	organic heterotricyclic compound	anthelminthic drug
helenalin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite
ancitabine	[no description available]	low	0	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine	[no description available]	low	0	0	N-alkylpiperazine; organic heterotricyclic compound
nedocromil	[no description available]	low	0	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
depsidone	[no description available]	low	0	0	depsidones; organic heterotricyclic compound
droxicam	[no description available]	low	0	0	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug
dictamnine	[no description available]	low	0	0	alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
flindersiamine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
flindersine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
maculine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
zaluzanin C	[no description available]	low	0	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
alpha-lapachone	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
dehydrocostus lactone	[no description available]	low	0	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug
Evoxine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
galaxolide	[no description available]	low	0	0	isochromenes; organic heterotricyclic compound	fragrance
aurofusarin	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
geographutoxin i	[no description available]	low	0	0	organic heterotricyclic compound	marine metabolite
gamma-fagarine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
1,9-dideoxyforskolin	[no description available]	low	0	0	acetate ester; labdane diterpenoid; organic heterotricyclic compound	plant metabolite
paspaline	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
salvinorin a	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
sch 45752	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
pannarin	[no description available]	low	0	0	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite
mirestrol	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
confertin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite
inuviscolide	[no description available]	low	0	0	gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone; tertiary alcohol	anti-inflammatory agent; plant metabolite
ergolide	[no description available]	low	0	0	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite
fk 1052	[no description available]	low	0	0	imidazoles; organic heterotricyclic compound	antiemetic; serotonergic antagonist
aromaticin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite
rocaglamide	[no description available]	low	0	0	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite
aglafoline	[no description available]	low	0	0	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor
cimifugin	[no description available]	low	0	0	organic heterotricyclic compound; oxacycle
khelloside	[no description available]	low	0	0	organic heterotricyclic compound; oxacycle
columbin	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
decursinol	[no description available]	low	0	0	cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol	analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
cleomiscosin a	[no description available]	low	0	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite
Dubinidine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
thapsigargin	[no description available]	low	0	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
reynosin	[no description available]	low	0	0	organic heterotricyclic compound; sesquiterpene lactone	metabolite
5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione	[no description available]	low	0	0	organic heterotricyclic compound; spiro compound
vedelianin	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite
haplamine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
(2R)-1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-methylbutane-2,3-diol	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester	[no description available]	low	0	0	organic heterotricyclic compound
2-oxo-3-benzo[h][1]benzopyrancarboxylic acid ethyl ester	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
huperzine a	[no description available]	low	0	0	organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite
CHIC-35	[no description available]	low	0	0	aromatic compound; organic heterotricyclic compound; organochlorine compound; primary carboxamide	EC 3.5.1.98 (histone deacetylase) inhibitor
3-imino-2-benzo[f][1]benzopyrancarbothioamide	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
2-benzamido-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organosulfur heterocyclic compound
3-(3-oxo-2-benzo[f][1]benzopyranyl)-1-phenyl-4-pyrazolecarboxaldehyde	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
2-benzo[b][1]benzoxepinamine	[no description available]	low	0	0	organic heterotricyclic compound
LSM-33589	[no description available]	low	0	0	organic heterotricyclic compound; organosulfur heterocyclic compound
2-(difluoromethyl)-4-benzo[h][1]benzopyranone	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
bigelovin	[no description available]	low	0	0	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite
momilactone b	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
quinagolide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline	[no description available]	low	0	0	organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound
uccf-029	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
4-[oxo-(4-oxo-5H-thieno[3,2-c]quinolin-2-yl)methyl]-1-piperazinecarboxylic acid ethyl ester	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanone	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
1-[(6-methoxy-2-furo[2,3-b]quinolinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
N-[2-(dipropylamino)ethyl]-4-methyl-2-furo[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
6-methoxy-N-(thiophen-2-ylmethyl)-2-furo[2,3-b]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
LSM-1924	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-22738	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
7-methoxy-N-(3-pyridinylmethyl)-2-furo[2,3-b]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
LSM-26445	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1925	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
acetic acid [1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-hydroxy-3-methylbutan-2-yl] ester	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
LSM-25964	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
N-(3-oxo-2-benzo[f][1]benzopyranyl)acetamide	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
chanoclavine	[no description available]	low	0	0	benzoindole; ergot alkaloid; organic heterotricyclic compound; primary alcohol; secondary amino compound
riddelliine	[no description available]	low	0	0	macrodiolide; olefinic compound; organic heterotricyclic compound; pyrrolizine alkaloid	carcinogenic agent; genotoxin; mutagen
irilone	[no description available]	low	0	0	hydroxyisoflavone; organic heterotricyclic compound; oxacycle	antineoplastic agent; immunomodulator; metabolite
heliparvifoline	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
sirolimus	[no description available]	low	0	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
5-ethyl-4-oxo-N-(thiophen-2-ylmethyl)-2-thieno[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
8-methyl-1-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-4-[1]benzopyrano[4,3-c]pyrazolone	[no description available]	low	0	0	organic heterotricyclic compound
cytochalasin b	[no description available]	low	0	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone	[no description available]	low	0	0	morpholines; naphthyl ketone; organic heterotricyclic compound; synthetic cannabinoid	analgesic; apoptosis inhibitor; neuroprotective agent
methyl brevifolincarboxylate	[no description available]	low	0	0	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent
palonosetron	[no description available]	low	0	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
himbacine	[no description available]	low	0	0	gamma-lactone; organic heterotricyclic compound; piperidine alkaloid	muscarinic antagonist
riddelliine n-oxide	[no description available]	low	0	0	diol; 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
chaetoviridin a	[no description available]	low	0	0	azaphilone; beta-hydroxy ketone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound; secondary alcohol	antifungal agent; Chaetomium metabolite
tremortin a	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
4-methyl-N-[(4-methylphenyl)methyl]-2-furo[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
beraprost	[no description available]	low	0	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
jwh-133	[no description available]	low	0	0	benzochromene; dibenzopyran; organic heterotricyclic compound	analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent
nu 7026	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
terpendole e	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
epicocconone	[no description available]	low	0	0	organic heterotricyclic compound	fluorochrome
pentalenolactone f	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; organic heterotricyclic compound; sesquiterpene lactone; spiro-epoxide	bacterial metabolite
jnj16259685	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
episilvestrol	[no description available]	low	0	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
silvestrol	[no description available]	low	0	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
4-chloro-N-(3,4-dimethoxyphenyl)-2-thieno[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
monascin	[no description available]	low	0	0	alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide	antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist
batzelladine a	[no description available]	low	0	0	alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene	anti-HIV-1 agent; metabolite
prim-o-glucosylcimifugin	[no description available]	low	0	0	organic heterotricyclic compound; oxacycle
4-chloro-N-[3-(3-methyl-1-piperidinyl)propyl]-2-thieno[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
schweinfurthin g	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite
8-methyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5H-thieno[3,2-c]quinoline-2-carboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N,8-dimethyl-N-(3-methylphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N-[2-(dipropylamino)ethyl]-5-ethyl-4-oxo-2-thieno[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
schweinfurthin f	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	metabolite
thallusin	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
aflatrem	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
dihydroagarofuran	[no description available]	low	0	0	bridged compound; cyclic ether; eudesmane sesquiterpenoid; organic heterotricyclic compound	metabolite
4'-epichaetoviridin A	[no description available]	low	0	0	azaphilone; beta-hydroxy ketone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound; secondary alcohol	Chaetomium metabolite
arenaemycin e	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; organic heterotricyclic compound; sesquiterpene lactone; spiro-epoxide	antimicrobial agent; bacterial metabolite; EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor
mk 2206	[no description available]	low	0	0	organic heterotricyclic compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
chaetoviridin E	[no description available]	low	0	0	azaphilone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound	Chaetomium metabolite
LSM-1873	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1834	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1287	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1675	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1312	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1315	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
debromoaplysiatoxin	[no description available]	low	0	0	aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist
aplysiatoxin	[no description available]	low	0	0	aplysiatoxins; bromophenol; cyclic hemiketal; ether; organic heterotricyclic compound; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist
gonyautoxin v	[no description available]	low	0	0	organic heterotricyclic compound; paralytic shellfish toxin	marine metabolite
4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
gsk1265744	[no description available]	low	0	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
dolutegravir	[no description available]	low	0	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
pelabresib	[no description available]	low	0	0	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor
gonyautoxin ii	[no description available]	low	0	0	organic heterotricyclic compound; paralytic shellfish toxin	marine metabolite
8-epidiosbulbin e acetate	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
conocurvone	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
scytonemin	[no description available]	low	0	0	enone; organic heterotricyclic compound; organonitrogen heterocyclic compound; polyphenol; ring assembly	bacterial metabolite; biological pigment; ultraviolet filter
liproxstatin-1	[no description available]	low	0	0	azaspiro compound; monochlorobenzenes; organic heterotricyclic compound; secondary amino compound	antioxidant; cardioprotective agent; ferroptosis inhibitor; radical scavenger
3-hydroxybenzyl alcohol	[no description available]	low	0	0	hydroxybenzyl alcohol; phenols	metabolite
4-hydroxybenzyl alcohol	[no description available]	low	0	0	benzyl alcohols; phenols	plant metabolite
4-hydroxyphenylacetic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
4-hydroxymandelic acid	[no description available]	low	0	0	2-hydroxy carboxylic acid; phenols	metabolite
4-vinylguaiacol	[no description available]	low	0	0	phenols	flavouring agent; pheromone; plant metabolite
4-hydroxyphenylglyoxylic acid	[no description available]	low	0	0	phenols
melilotic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite
n-acetylserotonin	[no description available]	low	0	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
4-hydroxyphenylpyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; phenols	human metabolite
phenol	[no description available]	low	0	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
vanilmandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
3-hydroxybenzylhydrazine	[no description available]	low	0	0	phenols
3-methoxytyramine	[no description available]	low	0	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	biomarker; human blood serum metabolite; human urinary metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	low	0	0	carbohydrazide; phenols
3-hydroxy-4-methoxyphenethylamine	[no description available]	low	0	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	human metabolite; rat metabolite
4-nonylphenol	[no description available]	low	0	0	phenols	environmental contaminant
acetaminophen	[no description available]	low	0	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
albuterol	[no description available]	low	0	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
capsaicin	[no description available]	low	0	0	methoxybenzenes; phenols
chloroxylenol	[no description available]	low	0	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
nonivamide	[no description available]	low	0	0	capsaicinoid; phenols	lachrymator
dienestrol	[no description available]	low	0	0	olefinic compound; phenols	xenoestrogen
edrophonium	[no description available]	low	0	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
etilefrine	[no description available]	low	0	0	phenols
formoterol fumarate	[no description available]	low	0	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
labetalol	[no description available]	low	0	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
ly 171883	[no description available]	low	0	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
mesalamine	[no description available]	low	0	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
norfenefrine	[no description available]	low	0	0	phenols
ns 1619	[no description available]	low	0	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
oxymetazoline	[no description available]	low	0	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
oxyphenbutazone	[no description available]	low	0	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	low	0	0	aminobenzoic acid; phenols	antitubercular agent
phenolphthalein	[no description available]	low	0	0	phenols
phenolsulfonphthalein	[no description available]	low	0	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
Phenyliodoundecynoate	[no description available]	low	0	0	benzoate ester; phenols
raloxifene	[no description available]	low	0	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
resorcinol monoacetate	[no description available]	low	0	0	phenols; phenyl acetates	antibacterial agent; dermatologic drug
salicylamide	[no description available]	low	0	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
salmeterol xinafoate	[no description available]	low	0	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
salicylsalicylic acid	[no description available]	low	0	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
sb 202190	[no description available]	low	0	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sulfobromophthalein	[no description available]	low	0	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
triclosan	[no description available]	low	0	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
estrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
17-desoxyestradiol	[no description available]	low	0	0	3-hydroxy steroid; phenolic steroid; phenols	estrogen
n-methyl-4-aminophenol	[no description available]	low	0	0	phenols	allergen
phenylephrine	[no description available]	low	0	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
isoamyl salicylate	[no description available]	low	0	0	benzoate ester; phenols
glycol salicylate	[no description available]	low	0	0	phenols; primary alcohol; salicylates
2-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	aromatic ether; phenols
2-isopropylphenol	[no description available]	low	0	0	phenols
2-sec-butylphenol	[no description available]	low	0	0	phenols
thymol	[no description available]	low	0	0	monoterpenoid; phenols	volatile oil component
2-ethylphenol	[no description available]	low	0	0	phenols
pyrogallol 1,3-dimethyl ether	[no description available]	low	0	0	dimethoxybenzene; phenols	plant metabolite
acetyleugenol	[no description available]	low	0	0	benzoate ester; phenols
creosol	[no description available]	low	0	0	methoxybenzenes; phenols
synephrine	[no description available]	low	0	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
propylparaben	[no description available]	low	0	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
3,4-dimethylphenol	[no description available]	low	0	0	phenols
2,5-xylenol	[no description available]	low	0	0	phenols	animal metabolite; volatile oil component
2,4-di-tert-butylphenol	[no description available]	low	0	0	alkylbenzene; phenols	antioxidant; bacterial metabolite; marine metabolite
sulfosalicylic acid	[no description available]	low	0	0	arenesulfonic acid; benzoic acids; phenols	metabolite
butylphen	[no description available]	low	0	0	phenols	allergen
4-isopropylphenol	[no description available]	low	0	0	phenols	flavouring agent
2,4-dimethylphenol	[no description available]	low	0	0	aromatic fungicide; phenols	disinfectant; volatile oil component
3,5-xylenol	[no description available]	low	0	0	phenols	xenobiotic metabolite
oxyphenisatin acetate	[no description available]	low	0	0	benzoate ester; phenols
bromphenol blue	[no description available]	low	0	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; phenols; sultone	acid-base indicator; dye; two-colour indicator
phenyl salicylate	[no description available]	low	0	0	benzoate ester; phenols; salicylates	ultraviolet filter
homosalate	[no description available]	low	0	0	benzoate ester; phenols
benzyl salicylate	[no description available]	low	0	0	benzoate ester; phenols
2-ethylhexyl salicylate	[no description available]	low	0	0	benzoate ester; phenols
2'-hydroxyacetophenone	[no description available]	low	0	0	monohydroxyacetophenone; phenols	flavouring agent
3-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
ethyl vanillin	[no description available]	low	0	0	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent
p-cresyl acetate	[no description available]	low	0	0	benzoate ester; phenols
3-hydroxyanisole	[no description available]	low	0	0	monomethoxybenzene; phenols
mequinol	[no description available]	low	0	0	methoxybenzenes; phenols	metabolite
ethamivan	[no description available]	low	0	0	methoxybenzenes; phenols
4-hydroxyphenyllactic acid	[no description available]	low	0	0	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite
plumbagin	[no description available]	low	0	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
topanol 354	[no description available]	low	0	0	methoxybenzenes; phenols
carvacrol	[no description available]	low	0	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
phloroglucinol dimethyl ether	[no description available]	low	0	0	methoxybenzenes; phenols
4-hydroxyphenylethanol	[no description available]	low	0	0	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent
syringic acid	[no description available]	low	0	0	benzoic acids; dimethoxybenzene; phenols	plant metabolite
paeonol	[no description available]	low	0	0	methoxybenzenes; phenols	metabolite
2-hydroxyphenylacetic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite
2-hydroxyacetanilide	[no description available]	low	0	0	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite
3-ethylphenol	[no description available]	low	0	0	phenols
3-hydroxybenzeneacetic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	human xenobiotic metabolite
3-hydroxyacetanilide	[no description available]	low	0	0	acetamides; phenols	non-narcotic analgesic
isovanillin	[no description available]	low	0	0	benzaldehydes; monomethoxybenzene; phenols	animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite
4-Ethoxyphenol	[no description available]	low	0	0	aromatic ether; phenols
bulbocapnine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; oxacycle; phenols	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite
2-propylphenol	[no description available]	low	0	0	phenols	flavouring agent; plant metabolite
4-cyanophenol	[no description available]	low	0	0	phenols	EC 1.4.3.4 (monoamine oxidase) inhibitor
2-(2'-hydroxyphenyl)benzoxazole	[no description available]	low	0	0	1,3-benzoxazoles; phenols	geroprotector
ethyl n-alpha-acetyl-tyrosinate	[no description available]	low	0	0	acetamides; ethyl ester; L-tyrosine derivative; phenols
fenadiazole	[no description available]	low	0	0	1,3,4-oxadiazoles; biaryl; phenols	sedative
amylmetacresol	[no description available]	low	0	0	phenols	antiseptic drug
4-chloro-2-cresol	[no description available]	low	0	0	monochlorobenzenes; phenols
antimycin a	[no description available]	low	0	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
isobarbaloin	[no description available]	low	0	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
dinoterb	[no description available]	low	0	0	C-nitro compound; phenols
4-n-Butylphenol	[no description available]	low	0	0	phenols
bromoxynil	[no description available]	low	0	0	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic
2-allylphenol	[no description available]	low	0	0	phenols	antifungal agrochemical
4-octylphenol	[no description available]	low	0	0	phenols	metabolite; surfactant; xenoestrogen
3-methoxy-4-hydroxyphenylethanol	[no description available]	low	0	0	methoxybenzenes; phenols
acetosyringone	[no description available]	low	0	0	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
bis(4-oxyphenyl)sulfide	[no description available]	low	0	0	phenols
hydroxyphenytoin	[no description available]	low	0	0	imidazolidine-2,4-dione; phenols	metabolite
2-(2-hydroxyphenyl)benzothiazole	[no description available]	low	0	0	benzothiazoles; phenols	geroprotector
cue-lure	[no description available]	low	0	0	benzoate ester; phenols
methyl vanillate	[no description available]	low	0	0	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite
2-isopropoxyphenol	[no description available]	low	0	0	aromatic ether; phenols
raspberry ketone	[no description available]	low	0	0	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite
laurolitsine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite
4-n-Pentylphenol	[no description available]	low	0	0	phenols
zingerone	[no description available]	low	0	0	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent
4-ethylphenol	[no description available]	low	0	0	phenols	fungal xenobiotic metabolite
butylated hydroxytoluene	[no description available]	low	0	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
2,6-di-tert-butylphenol	[no description available]	low	0	0	alkylbenzene; phenols	antioxidant
dimethophrine	[no description available]	low	0	0	methoxybenzenes; phenols
4-vinyl-2,6-dimethoxyphenol	[no description available]	low	0	0	methoxybenzenes; phenols
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	low	0	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
closantel	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols
fomesafen	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
4-vinylphenol	[no description available]	low	0	0	phenols	human urinary metabolite; human xenobiotic metabolite
4-ethylguaiacol	[no description available]	low	0	0	methoxybenzenes; phenols
salicylhydroxamic acid	[no description available]	low	0	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
guaethol	[no description available]	low	0	0	aromatic ether; phenols; volatile organic compound	flavouring agent
cresatin	[no description available]	low	0	0	benzoate ester; phenols
4-trifluoromethylphenol	[no description available]	low	0	0	(trifluoromethyl)benzenes; phenols	drug metabolite; marine xenobiotic metabolite
3-pentadecylphenol	[no description available]	low	0	0	phenols
chavicol	[no description available]	low	0	0	phenols; phenylpropanoid
ibopamine	[no description available]	low	0	0	benzoate ester; phenols
4-methoxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite
2-hydroxy-4-methoxybenzaldehyde	[no description available]	low	0	0	methoxybenzenes; phenols
methyl syringate	[no description available]	low	0	0	benzoate ester; dimethoxybenzene; phenols	plant metabolite
vanitiolide	[no description available]	low	0	0	methoxybenzenes; phenols
rubrofusarin	[no description available]	low	0	0	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite
2,5-di-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	methoxybenzenes; phenols
methyl gentisate	[no description available]	low	0	0	benzoate ester; phenols
4-hydroxyindole	[no description available]	low	0	0	hydroxyindoles; phenols
benzoyltyrosine ethyl ester	[no description available]	low	0	0	benzamides; ethyl ester; L-tyrosine derivative; phenols	chromogenic compound
methyl 3-(4-hydroxyphenyl)propionate	[no description available]	low	0	0	methyl ester; phenols	nitrification inhibitor; plant growth regulator
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene	[no description available]	low	0	0	phenols
acetaminophen mercapturate	[no description available]	low	0	0	acetamides; organic sulfide; phenols; S-substituted N-acetyl-L-cysteine	drug metabolite; human urinary metabolite; rat metabolite
adriamycinol	[no description available]	low	0	0	aminoglycoside; anthracycline antibiotic; aromatic ether; deoxy hexoside; p-quinones; phenols; polyol; tetracenequinones	cardiotoxic agent; drug metabolite
3-hydroxymandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; phenols	human metabolite
n-acetyltyrosine, (dl)-isomer	[no description available]	low	0	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
2-tyrosine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid; phenols; phenylalanine derivative
2-amino-5-chlorophenol	[no description available]	low	0	0	monochlorobenzenes; phenols; primary amino compound
beta-peltatin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite
alpha-peltatin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite
laudanine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; phenols; racemate
tyrphostin 8	[no description available]	low	0	0	phenols
4-hydroxymexiletine	[no description available]	low	0	0	aromatic ether; phenols
sugiol	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger
gamma-glutamyltyrosine	[no description available]	low	0	0	dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide	human metabolite
6-paradol	[no description available]	low	0	0	ketone; monomethoxybenzene; phenols
2-hydroxy-5-methoxybenzaldehyde	[no description available]	low	0	0	benzaldehydes; monomethoxybenzene; phenols
4-(4-hydroxyphenyl)-2-butanol	[no description available]	low	0	0	phenols
tetrangulol	[no description available]	low	0	0	p-quinones; phenols; tetraphenes	bacterial metabolite
terphenyllin	[no description available]	low	0	0	dimethoxybenzene; para-terphenyl; phenols	Aspergillus metabolite; mycotoxin
2,3-bis(4-hydroxyphenyl)-propionitrile	[no description available]	low	0	0	nitrile; phenols	estrogen receptor agonist
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	[no description available]	low	0	0	dihydroxy monocarboxylic acid; phenols	human urinary metabolite
sn 38	[no description available]	low	0	0	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor
ly 117018	[no description available]	low	0	0	1-benzothiophenes; aromatic ketone; N-alkylpyrrolidine; phenols	bone density conservation agent; estrogen receptor antagonist; estrogen receptor modulator
5-hydroxypropafenone	[no description available]	low	0	0	phenols
4'-hydroxydiclofenac	[no description available]	low	0	0	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite
3-chloro-4-hydroxyphenylacetic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; monochlorobenzenes; phenols	mammalian metabolite
eseroline	[no description available]	low	0	0	phenols; pyrroloindole	human xenobiotic metabolite; opioid analgesic
hydrangenol	[no description available]	low	0	0	dihydroisocoumarins; phenols	anti-allergic agent; plant metabolite
maculosin	[no description available]	low	0	0	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite
2-o-methylpyrogallol	[no description available]	low	0	0	methoxybenzenes; phenols
dopamine 3-o-sulfate	[no description available]	low	0	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
estriol-16 alpha-glucuronide	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; beta-D-glucosiduronic acid; phenols; steroid glucosiduronic acid	human urinary metabolite
emodin anthrone	[no description available]	low	0	0	anthracenone; phenols	fungal metabolite
4'-demethylpodophyllotoxin	[no description available]	low	0	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite
4'-demethylepipodophyllotoxin	[no description available]	low	0	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent
dopamine 4-o-sulfate	[no description available]	low	0	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
rubimaillin	[no description available]	low	0	0	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite
ay 25545	[no description available]	low	0	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite
tilivalline	[no description available]	low	0	0	indole alkaloid; indoles; phenols; pyrrolobenzodiazepine	bacterial metabolite; microtubule-stabilising agent; toxin
4-acetamidophenyl-2-thiophenecarboxylate	[no description available]	low	0	0	benzoate ester; phenols
yakuchinone-a	[no description available]	low	0	0	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
cd 437	[no description available]	low	0	0	adamantanes; monocarboxylic acid; naphthoic acid; phenols	apoptosis inducer; retinoic acid receptor gamma agonist
aclacinomycin	[no description available]	low	0	0	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite
n-methylserotonin	[no description available]	low	0	0	phenols; tryptamines	human metabolite; plant metabolite
endocrocin	[no description available]	low	0	0	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite
actinodaphine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor
sulochrin	[no description available]	low	0	0	benzophenones; carboxylic ester; phenols	metabolite
isohomovanillic acid	[no description available]	low	0	0	aromatic ether; phenols; phenylacetic acids	metabolite
3,5-diiodothyropropionic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organoiodine compound; phenols
4-hydroxybenzyl isothiocyanate	[no description available]	low	0	0	phenols
4'-demethyldesoxypodophyllotoxin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite
myricanone	[no description available]	low	0	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite
gingerdione	[no description available]	low	0	0	beta-diketone; monomethoxybenzene; phenols
etilefrine hydrochloride	[no description available]	low	0	0	phenols
8-gingerol	[no description available]	low	0	0	beta-hydroxy ketone; monomethoxybenzene; phenols
10-gingerol	[no description available]	low	0	0	beta-hydroxy ketone; monomethoxybenzene; phenols
pluviatolide	[no description available]	low	0	0	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite
nordihydrocapsaicin	[no description available]	low	0	0	methoxybenzenes; phenols
erysodine	[no description available]	low	0	0	aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols	antiparasitic agent; nicotinic antagonist; phytogenic insecticide
isomhpg	[no description available]	low	0	0	methoxybenzenes; phenols
rubrofusarin B	[no description available]	low	0	0	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite
2,5-dihydroxybenzyl alcohol	[no description available]	low	0	0	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide	[no description available]	low	0	0	anilide fungicide; aromatic amide; dichlorobenzene; monocarboxylic acid amide; phenols	antifungal agrochemical; EC 1.14.13.72 (methylsterol monooxygenase) inhibitor; sterol biosynthesis inhibitor
deferasirox	[no description available]	low	0	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
succinobucol	[no description available]	low	0	0	benzoate ester; phenols
fonsecin	[no description available]	low	0	0	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite
4-allyl-2,6-dimethoxyphenol	[no description available]	low	0	0	dimethoxybenzene; phenols; phenylpropanoid
lariciresinol	[no description available]	low	0	0	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite
4-(2-Amino-1,3-thiazol-4-yl)phenol	[no description available]	low	0	0	phenols
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene	[no description available]	low	0	0	benzoate ester; phenols
maackiain	[no description available]	low	0	0	phenols; pterocarpans
2-methoxyestrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
metoprolol tartrate	[no description available]	low	0	0	alcohol; phenols
ferruginol	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent
abyssinone i	[no description available]	low	0	0	monohydroxyflavanone; phenols	apoptosis inhibitor; plant metabolite
abyssinone v	[no description available]	low	0	0	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite
agnuside	[no description available]	low	0	0	benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside	anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent
pyochelin	[no description available]	low	0	0	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore
yersiniabactin	[no description available]	low	0	0	monocarboxylic acid; phenols; secondary alcohol; thiazolidines	bacterial metabolite; siderophore
sr 12813	[no description available]	low	0	0	organic phosphonate; phenols	pregnane X receptor agonist
mycophenolic acid	[no description available]	low	0	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
stigmatellin	[no description available]	low	0	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor
3-hydroxyhippuric acid	[no description available]	low	0	0	N-acylglycine; phenols	metabolite
aclarubicin	[no description available]	low	0	0	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
teniposide	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
chavibetol	[no description available]	low	0	0	methoxybenzenes; phenols
piperlactam s	[no description available]	low	0	0	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite
2-hydroxycinnamic acid	[no description available]	low	0	0	2-coumaric acid; phenols	antioxidant; metabolite
2'-hydroxychalcone	[no description available]	low	0	0	chalcones; phenols	anti-inflammatory agent
6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile	[no description available]	low	0	0	phenols
5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one	[no description available]	low	0	0	methoxybenzenes; phenols
2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol	[no description available]	low	0	0	methoxybenzenes; phenols
2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol	[no description available]	low	0	0	methoxybenzenes; phenols
acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester	[no description available]	low	0	0	benzoate ester; phenols
acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester	[no description available]	low	0	0	benzoate ester; phenols
zucapsaicin	[no description available]	low	0	0	methoxybenzenes; phenols
2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester	[no description available]	low	0	0	benzoate ester; phenols
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester	[no description available]	low	0	0	benzoate ester; phenols
acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester	[no description available]	low	0	0	benzoate ester; phenols
2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester	[no description available]	low	0	0	benzoate ester; phenols
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester	[no description available]	low	0	0	benzoate ester; phenols
3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester	[no description available]	low	0	0	benzoate ester; phenols
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester	[no description available]	low	0	0	methoxybenzenes; phenols
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester	[no description available]	low	0	0	methoxybenzenes; phenols
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile	[no description available]	low	0	0	methoxybenzenes; phenols
2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester	[no description available]	low	0	0	benzoate ester; phenols
monastrol	[no description available]	low	0	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
dezocine	[no description available]	low	0	0	phenols; primary amino compound	opioid analgesic
3-methoxy-4-hydroxyphenylglycol sulfate	[no description available]	low	0	0	alcohol; phenols
5-hydroxydiclofenac	[no description available]	low	0	0	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite
4-hydroxyphenethylene glycol	[no description available]	low	0	0	phenols
5-hydroxybenzimidazole	[no description available]	low	0	0	benzimidazoles; phenols	bacterial metabolite; human metabolite; rat metabolite
5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester	[no description available]	low	0	0	benzoate ester; phenols
n,o-didesmethylvenlafaxine	[no description available]	low	0	0	cyclohexanols; phenols; secondary amino compound	drug metabolite; marine xenobiotic metabolite
2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester	[no description available]	low	0	0	benzoate ester; phenols
sb 415286	[no description available]	low	0	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester	[no description available]	low	0	0	benzoate ester; phenols
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester	[no description available]	low	0	0	benzoate ester; phenols
3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester	[no description available]	low	0	0	benzoate ester; phenols
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	low	0	0	phenols; pyrazoles	estrogen receptor agonist
6-iodonordihydrocapsaicin	[no description available]	low	0	0	methoxybenzenes; phenols
3-(4-hydroxyphenyl)-1-propane	[no description available]	low	0	0	4-hydroxycinnamyl alcohol; phenols; phenylpropanoid	monolignol
sinapaldehyde	[no description available]	low	0	0	cinnamaldehydes; dimethoxybenzene; phenols	antifungal agent; plant metabolite
isobutrin	[no description available]	low	0	0	beta-D-glucoside; chalcones; monosaccharide derivative; phenols	anti-inflammatory agent; hepatoprotective agent; plant metabolite
euxanthone	[no description available]	low	0	0	phenols; xanthones	metabolite; plant metabolite
mangostin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
swerchirin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite
shogaol	[no description available]	low	0	0	enone; monomethoxybenzene; phenols
4-hydroxychalcone	[no description available]	low	0	0	chalcones; phenols	antihypertensive agent; plant metabolite
4'-hydroxychalcone	[no description available]	low	0	0	chalcones; phenols	anti-inflammatory agent; antineoplastic agent
olvanil	[no description available]	low	0	0	methoxybenzenes; phenols
n-cinnamoyltyramine	[no description available]	low	0	0	cinnamamides; phenols; secondary carboxamide	allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor
3-deoxysappanchalcone	[no description available]	low	0	0	chalcones; monomethoxybenzene; phenols	metabolite
rhamnazin	[no description available]	low	0	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite
alpha-cyano-4-hydroxycinnamic acid	[no description available]	low	0	0	monohydroxycinnamic acid; nitrile; phenols	MALDI matrix material
macluraxanthone b	[no description available]	low	0	0	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite
flavokawain b	[no description available]	low	0	0	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite
lichexanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
alternariol	[no description available]	low	0	0	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin
sorbicillin	[no description available]	low	0	0	phenols
decussatin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
gamma-mangostin	[no description available]	low	0	0	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor
1,7-dihydroxy-4-methoxyxanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite
resiniferatoxin	[no description available]	low	0	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
flavasperone	[no description available]	low	0	0	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite
su 1498	[no description available]	low	0	0	enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide	vascular endothelial growth factor receptor antagonist
n-feruloylserotonin	[no description available]	low	0	0	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite
tyrphostin ag825	[no description available]	low	0	0	aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide	epidermal growth factor receptor antagonist
eupomatenoid 6	[no description available]	low	0	0	benzofurans; phenols	anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite
monorden	[no description available]	low	0	0	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
cefatrizine	[no description available]	low	0	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
sibiromycin	[no description available]	low	0	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
(8)-shogaol	[no description available]	low	0	0	enone; monomethoxybenzene; phenols
(10)-shogaol	[no description available]	low	0	0	enone; monomethoxybenzene; phenols
arvanil	[no description available]	low	0	0	methoxybenzenes; phenols
3-tyrosine	[no description available]	low	0	0	hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols	plant metabolite
camostat	[no description available]	low	0	0	aromatic ether; phenols
jasplakinolide	[no description available]	low	0	0	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent
capsiate	[no description available]	low	0	0	carboxylic ester; monomethoxybenzene; phenols	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite
fr 148083	[no description available]	low	0	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor
tmc-95a	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor
topopyrone c	[no description available]	low	0	0	naphthochromene; p-quinones; phenols	antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite
estin	[no description available]	low	0	0	1-benzofurans; ether; methyl ester; organochlorine compound; oxaspiro compound; phenols	Aspergillus metabolite; Penicillium metabolite
mdl 105725	[no description available]	low	0	0	methoxybenzenes; phenols
ustiloxin b	[no description available]	low	0	0	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin
nidulalin a	[no description available]	low	0	0	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite
hypothemycin	[no description available]	low	0	0	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite
vernakalant	[no description available]	low	0	0	alcohol; phenols
elloramycin	[no description available]	low	0	0	alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin	antimicrobial agent; bacterial metabolite
avenanthramide b	[no description available]	low	0	0	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin
vilanterol	[no description available]	low	0	0	benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
lactonamycin	[no description available]	low	0	0	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite
nigerloxin	[no description available]	low	0	0	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one	[no description available]	low	0	0	diarylheptanoid; enone; phenols	plant metabolite
tmc-95b	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one	[no description available]	low	0	0	diarylheptanoid; enone; phenols	plant metabolite
cardanol	[no description available]	low	0	0	phenols
glyceryl ferulate	[no description available]	low	0	0	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter
laurinterol	[no description available]	low	0	0	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
10-isobutyryloxy-8,9-epoxythymol isobutyrate	[no description available]	low	0	0	benzoate ester; phenols
olodaterol	[no description available]	low	0	0	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
diversonol	[no description available]	low	0	0	phenols; tertiary alcohol	antibacterial agent; metabolite
alloin	[no description available]	low	0	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
1-O-feruloyl-beta-D-glucose	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite
ligstroside	[no description available]	low	0	0	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite
shamixanthone	[no description available]	low	0	0	cyclic ketone; phenols; pyranoxanthene	metabolite
siphonazole	[no description available]	low	0	0	methoxybenzenes; phenols
vx-770	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug
4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol	[no description available]	low	0	0	phenols
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone	[no description available]	low	0	0	methoxybenzenes; phenols
respirantin	[no description available]	low	0	0	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite
3,4-dihydroxyphenylethanol-elenolic acid dialdehyde	[no description available]	low	0	0	alcohol; phenols
avilamycin a	[no description available]	low	0	0	benzoate ester; cyclic acetal; dichlorobenzene; oligosaccharide derivative; ortho ester; oxaspiro compound; phenols; tertiary alpha-hydroxy ketone	antimicrobial agent; bacterial metabolite
cathestatin b	[no description available]	low	0	0	dicarboxylic acid monoamide; epoxide; monocarboxylic acid; phenols; primary amino compound	antimicrobial agent; cysteine protease inhibitor; Penicillium metabolite
bromophycolide a	[no description available]	low	0	0	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite
diorcinol	[no description available]	low	0	0	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite
n-trans-feruloyloctopamine	[no description available]	low	0	0	methoxybenzenes; phenols
marinopyrrole a	[no description available]	low	0	0	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite
chondramide c	[no description available]	low	0	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde	[no description available]	low	0	0	1-benzofurans; aldehyde; phenols	Aspergillus metabolite; Chaetomium metabolite; radical scavenger
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one	[no description available]	low	0	0	diarylheptanoid; ketone; phenols	plant metabolite
hordatine a	[no description available]	low	0	0	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite
chondramide a	[no description available]	low	0	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
quinolobactin	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; phenols; quinolinemonocarboxylic acid	bacterial metabolite; siderophore
novobiocin	[no description available]	low	0	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
ilicicolin h	[no description available]	low	0	0	aromatic ketone; carbobicyclic compound; ilicicolin; monohydroxypyridine; octahydronaphthalenes; phenols; pyridone	antimicrobial agent; mitochondrial respiratory-chain inhibitor
naloxegol	[no description available]	low	0	0	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist
fertaric acid	[no description available]	low	0	0	aromatic ether; cinnamate ester; dicarboxylic acid; phenols; tetraric acid derivative
callipeltin a	[no description available]	low	0	0	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite
opt 80	[no description available]	low	0	0	carboxylic ester; glycoside; macrolide antibiotic; organochlorine compound; phenols	antibacterial drug; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor
brasilicardin a	[no description available]	low	0	0	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent
ML355	[no description available]	low	0	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
acarbose	[no description available]	low	0	0	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite
pf-06687252	[no description available]	low	0	0	azabicycloalkane; enone; phenols; pyridines
chondramide d	[no description available]	low	0	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
biliatresone	[no description available]	low	0	0	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin
can 508	[no description available]	low	0	0	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
nu 1025	[no description available]	low	0	0	phenols; quinazolines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
quininib	[no description available]	low	0	0	phenols; styrylquinoline	angiogenesis inhibitor
pp242	[no description available]	low	0	0	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor
dehydroluciferin	[no description available]	low	0	0	1,3-thiazolemonocarboxylic acid; benzothiazoles; biaryl; phenols	animal metabolite; luciferin
tilimycin	[no description available]	low	0	0	phenols; pyrrolobenzodiazepine	alkylating agent; apoptosis inducer; bacterial metabolite; toxin

Article	Year
What is the role of the D3 receptor in addiction? A mini review of PET studies with [(11)C]-(+)-PHNO. Progress in neuro-psychopharmacology & biological psychiatry, Jul-03, Volume: 52	2014
Dopamine D2(High) receptors moderately elevated by sertindole. Synapse (New York, N.Y.), Volume: 62, Issue: 5	2008
Chronic administration of a selective dopamine D-2 agonist: factors determining behavioral tolerance and sensitization. Psychopharmacology, Volume: 95, Issue: 4	1988
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Spatio-temporal pharmacokinetic model based registration of 4D PET neuroimaging data. NeuroImage, Jan-01, Volume: 84	2014
In vivo characterization of the pharmacokinetics and pharmacological properties of [11C]-(+)-PHNO in rats using an intracerebral beta-sensitive system. Synapse (New York, N.Y.), Volume: 60, Issue: 2	2006
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pharmacologic profile of a novel potent direct-acting dopamine agonist, (+)-4-propyl-9-hydroxynaphthoxazine [(+)-PHNO]. The Journal of pharmacology and experimental therapeutics, Volume: 230, Issue: 3	1984
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Preferential binding to dopamine D3 over D2 receptors by cariprazine in patients with schizophrenia using PET with the D3/D2 receptor ligand [(11)C]-(+)-PHNO. Psychopharmacology, Volume: 233, Issue: 19-20	2016
D(1) dopamine receptor agonists are more effective in alleviating advanced than mild parkinsonism in 1-methyl-4-phenyl-1,2,3, 6-tetrahydropyridine-treated monkeys. The Journal of pharmacology and experimental therapeutics, Volume: 292, Issue: 2	2000
Functional interaction between dopamine D1 and D2 receptors in 'MPTP' monkeys. European journal of pharmacology, Mar-03, Volume: 253, Issue: 3	1994
Effects of N-methyl-D-aspartate antagonists in rats discriminating different doses of cocaine: comparison with direct and indirect dopamine agonists. The Journal of pharmacology and experimental therapeutics, Volume: 274, Issue: 2	1995
Sustained-release (+)-PHNO [MK-458 (HPMC)] in the treatment of Parkinson's disease: evidence for tolerance to a selective D2-receptor agonist administered as a long-acting formulation. Movement disorders : official journal of the Movement Disorder Society, Volume: 5, Issue: 4	1990
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

naxagolide

Description

Cross-References

Synonyms (39)

Roles (3)

Drug Classes (3)

Protein Targets (2)

Inhibition Measurements

Biological Processes (109)

Molecular Functions (9)

Ceullar Components (22)

Bioassays (59)

Research

Studies (155)

Study Types

Clinical Trials (1)

Trial Overview

Trial Outcomes

Change in BP-ND in the TAK-041+AMPH Condition Compared to AMPH Alone as a Function of the Dose of TAK-041 Administered

Change in Non-displaceable Binding Potential (BP-ND) in the TAK-041+AMPH Condition Compared to AMPH Alone

Research Highlights

Long-term Use (3)

Pharmacokinetics (2)

Bioavailability (1)

Dosage (5)

Condition	Relationship Strength	Studies	Trials
Action Tremor	low	1	0
Aging	low	2	0
Alcohol Abuse	low	1	0
Alcohol Addiction	low	1	0
Alcohol Dependence	low	1	0
Alcohol Use Disorder	low	1	0
Alcoholic Intoxication, Chronic	low	1	0
Alcoholism	low	1	0
Amentia	low	1	0
Anesthesia	low	1	0
Anochlesia	low	1	0
Atherosclerotic Parkinsonism	low	17	0
Athetoid Movements	low	1	0
Athetosis	low	1	0
Aura	low	1	0
Autosomal Dominant Juvenile Parkinson Disease	low	1	0
Autosomal Dominant Juvenile Parkinsonism	low	1	0
Autosomal Dominant Parkinsonism	low	1	0
Autosomal Recessive Juvenile Parkinson Disease	low	1	0
Autosomal Recessive Juvenile Parkinsonism	low	1	0
Autosomal Recessive Parkinsonism	low	1	0
Awakening Epilepsy	low	1	0
Cannabis Abuse	low	1	0
Cannabis Dependence	low	1	0
Cannabis-Related Disorder	low	1	0
Catalepsy	low	1	0
Cerea Flexibilitas	low	1	0
Chemical Dependence	low	3	0
Chorea	low	1	0
Chorea Disorders	low	1	0
Chorea Syndromes	low	1	0
Chorea, Benign Hereditary	low	1	0
Chorea, Chronic Progressive	low	1	0
Chorea, Rheumatic	low	1	0
Chorea, Senile	low	1	0
Chorea, Sydenham	low	1	0
Choreatic Disorders	low	1	0
Choreatic Syndromes	low	1	0
Choreic Movement	low	1	0
Choreiform Movement	low	1	0
Chromosome 6-Linked Autosomal Recessive Parkinsonism	low	1	0
Chronic Motor and Vocal Tic Disorder	low	2	0
Coarse Tremor	low	1	0
Cocaine Abuse	low	2	0
Cocaine Addiction	low	2	0
Cocaine Dependence	low	2	0
Cocaine-Related Disorders	low	2	0
Combined Multiple Motor and Vocal Tic Disorder	low	2	0
Combined Vocal and Multiple Motor Tic Disorder	low	2	0
Continuous Tremor	low	1	0
Darkness Tremor	low	1	0
Dementia	low	1	0
Dementia Praecox	medium	6	1
Disease Models, Animal	low	2	0
Disruptive, Impulse Control, and Conduct Disorders	low	1	0
Dizziness	low	1	0
Dizzyness	low	1	0
Drug Abuse	low	3	0
Drug Addiction	low	3	0
Drug Dependence	low	3	0
Drug Habituation	low	3	0
Drug Use Disorders	low	3	0
Drug Withdrawal Symptoms	low	1	0
Dyskinesia Syndromes	low	1	0
Dyskinesia, Drug-Induced	low	3	0
Dyskinesia, Medication-Induced	low	3	0
Dyskinesias, Paroxysmal	low	1	0
Emesis	low	1	0
Epilepsy	low	1	0
Epilepsy, Cryptogenic	low	1	0
Etat Marbre	low	1	0
Ethanol Abuse	low	1	0
Experimental Parkinson Disease	low	1	0
Experimental Parkinsonism	low	1	0
Experimental Parkinsonism, MPTP-Induced	low	1	0
Familial Dementia	low	1	0
Familial Juvenile Parkinsonism	low	1	0
Familial Parkinson Disease, Autosomal Recessive	low	1	0
Fine Tremor	low	1	0
Flexibility, Waxy	low	1	0
Gambling	low	1	0
Gambling, Pathologic	low	1	0
Gambling, Pathological	low	1	0
Gilles de la Tourette Disorder	low	2	0
Gilles de la Tourette Syndrome	low	2	0
Gilles de la Tourette's Disease	low	2	0
Gilles De La Tourette's Syndrome	low	2	0
Hammond Disease	low	1	0
Hammond's Disease	low	1	0
Hashish Abuse	low	1	0
Hereditary Chorea	low	1	0
Hereditary Progressive Chorea Without Dementia	low	1	0
Idiopathic Parkinson Disease	medium	17	2
Idiopathic Parkinson's Disease	medium	17	2
Impulse Control Disorders	low	1	0
Impulse-Control Disorders	low	1	0
Intention Tremor	low	1	0
Intermittent Explosive Disorder	low	1	0
Intermittent Tremor	low	1	0
Involuntary Quiver	low	1	0
Juvenile Parkinson Disease	low	1	0
Juvenile Parkinson Disease, Autosomal Dominant	low	1	0
Juvenile Parkinson Disease, Autosomal Recessive	low	1	0
Juvenile Parkinsonism, Autosomal Dominant	low	1	0
Juvenile Parkinsonism, Autosomal Recessive	low	1	0
Kleptomania	low	1	0
Lewy Body Parkinson Disease	medium	17	2
Lewy Body Parkinson's Disease	medium	17	2
Light-Headedness	low	1	0
Lightheadedness	low	1	0
Marihuana Abuse	low	1	0
Marijuana Abuse	low	1	0
Marijuana Dependence	low	1	0
Massive Tremor	low	1	0
Medication-Induced Dyskinesia	low	3	0
Movement Disorder Syndromes	low	1	0
Movement Disorders	low	1	0
MPTP Neurotoxicity Syndrome	low	7	0
MPTP Poisoning	low	7	0
MPTP-Induced Degeneration of the Striatum	low	7	0
MPTP-Induced Experimental Parkinsonism	low	1	0
MPTP-Induced Parkinsonism	low	7	0
Multiple Motor and Vocal Tic Disorder, Combined	low	2	0
Muscle Contraction	low	1	0
Nausea	low	1	0
Neurotoxicity Syndrome, MPTP	low	7	0
Nicotine Addiction	low	1	0
Nicotine Dependence	low	1	0
Nicotine Use Disorder	low	1	0
Organic Mental Disorders, Substance-Induced	low	3	0
Orthostasis	low	1	0
Paralysis Agitans	medium	17	2
Parkinson Disease	medium	17	2
Parkinson Disease 2	low	1	0
Parkinson Disease 2, Autosomal Recessive Juvenile	low	1	0
Parkinson Disease Autosomal Recessive, Early Onset	low	1	0
Parkinson Disease, Autosomal Dominant. Juvenile	low	1	0
Parkinson Disease, Experimental	low	1	0
Parkinson Disease, Familial, Autosomal Recessive	low	1	0
Parkinson Disease, Idiopathic	medium	17	2
Parkinson Disease, Juvenile	low	1	0
Parkinson Disease, Juvenile, Autosomal Dominant	low	1	0
Parkinson Disease, Juvenile, Autosomal Recessive	low	1	0
Parkinson Disease, Secondary	low	17	0
Parkinson Disease, Secondary Vascular	low	17	0
Parkinson Disease, Symptomatic	low	17	0
Parkinson's Disease	medium	17	2
Parkinson's Disease, Idiopathic	medium	17	2
Parkinson's Disease, Lewy Body	medium	17	2
Parkinsonian Diseases	low	1	0
Parkinsonian Disorders	low	1	0
Parkinsonian Syndrome	low	1	0
Parkinsonian Syndromes	low	1	0
Parkinsonism	low	1	0
Parkinsonism, Early Onset, with Diurnal Fluctuation	low	1	0
Parkinsonism, Early-Onset, With Diurnal Fluctuation	low	1	0
Parkinsonism, Experimental	low	1	0
Parkinsonism, Juvenile	low	1	0
Parkinsonism, Juvenile, Autosomal Dominant	low	1	0
Parkinsonism, Juvenile, Autosomal Recessive	low	1	0
Parkinsonism, Secondary	low	17	0
Parkinsonism, Symptomatic	low	17	0
Paroxysmal Dyskinesias	low	1	0
Passive Tremor	low	1	0
Pathological Gambling	low	1	0
Persistent Tremor	low	1	0
Pill Rolling Tremor	low	1	0
Poisoning, 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine	low	7	0
Prescription Drug Abuse	low	3	0
Primary Parkinsonism	medium	17	2
Ramsay Hunt Paralysis Syndrome	low	1	0
Rest Tremor	low	1	0
Resting Tremor	low	1	0
Rheumatic Chorea	low	1	0
Saturnine Tremor	low	1	0
Schizophrenia	medium	6	1
Schizophrenic Disorders	medium	6	1
Secondary Parkinsonism	low	17	0
Secondary Vascular Parkinson Disease	low	17	0
Seizure Disorder	low	1	0
Senile Chorea	low	1	0
Senile Paranoid Dementia	low	1	0
Senile Tremor	low	1	0
Sensitivity and Specificity	low	3	0
St. Vitus's Dance	low	1	0
Static Tremor	low	1	0
Status Marmoratus	low	1	0
Substance Abuse	low	3	0
Substance Addiction	low	3	0
Substance Dependence	low	3	0
Substance Use	low	3	0
Substance Use Disorders	low	3	0
Substance Withdrawal Syndrome	low	1	0
Substance-Related Disorders	low	3	0
Sydenham Chorea	low	1	0
Sydenham's Chorea	low	1	0
Symptomatic Parkinson Disease	low	17	0
Tic Disorder, Combined Vocal and Multiple Motor	low	2	0
Tobacco Dependence	low	1	0
Tobacco Use Disorder	low	1	0
Tobacco-Use Disorder	low	1	0
Tourette Disease	low	2	0
Tourette Disorder	low	2	0
Tourette Syndrome	low	2	0
Tourette's Disease	low	2	0
Tourette's Disorder	low	2	0
Tourette's Syndrome	low	2	0
Tremor	low	1	0
Tremor, Limb	low	1	0
Tremor, Muscle	low	1	0
Tremor, Neonatal	low	1	0
Tremor, Nerve	low	1	0
Tremor, Perioral	low	1	0
Tremor, Semirhythmic	low	1	0
Vomiting	low	1	0
Withdrawal Symptoms	low	1	0

naxagolide

Description

Cross-References

Synonyms (39)

Roles (3)

Drug Classes (3)

Protein Targets (2)

Inhibition Measurements

Biological Processes (109)

Molecular Functions (9)

Ceullar Components (22)

Bioassays (59)

Research

Studies (155)

Study Types

Clinical Trials (1)

Trial Overview

Trial Outcomes

Change in BP-ND in the TAK-041+AMPH Condition Compared to AMPH Alone as a Function of the Dose of TAK-041 Administered

Change in Non-displaceable Binding Potential (BP-ND) in the TAK-041+AMPH Condition Compared to AMPH Alone

Related Drugs (1,063)

Related Conditions (216)

Research Highlights

Long-term Use (3)

Pharmacokinetics (2)

Bioavailability (1)

Dosage (5)