Page last updated: 2024-11-05

exp561

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth

Description

EXP561: inhibitor of 5-HT uptake; RN given refers to parent cpd [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID27697
CHEMBL ID288524
SCHEMBL ID11046911
MeSH IDM0061061

Synonyms (22)

Synonym
exp 561
exp561
CHEMBL288524 ,
bdbm50022781
(exp-561)4-phenyl-bicyclo[2.2.2]oct-1-ylamine
4-phenyl-bicyclo[2.2.2]oct-1-ylamine
10206-89-0
1p958g9t1v ,
1-amino-4-phenylbicyclo(2.2.2)octane
4-phenylbicyclo(2.2.2)octan-1-amine
unii-1p958g9t1v
bicyclo(2.2.2)octan-1-amine, 4-phenyl-
SCHEMBL11046911
(4-phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride
bicyclo[2.2.2]octan-1-amine, 4-phenyl-
4-phenylbicyclo[2.2.2]oct-1-ylamine #
4-phenylbicyclo[2.2.2]octan-1-amine
JXMVQBDHMBOHDH-UHFFFAOYSA-N
exp-561 free base
DTXSID20144571
1-amino-4-phenylbicyclo[2,2,2]octane
Q5324704
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (3)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Phenylethanolamine N-methyltransferaseBos taurus (cattle)Ki27.00000.00312.329310.0000AID155306
Phenylethanolamine N-methyltransferaseHomo sapiens (human)Ki51.00000.00161.35296.9000AID155320
Sodium-dependent dopamine transporterRattus norvegicus (Norway rat)Ki0.08320.00030.37088.1600AID65638
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (3)

Processvia Protein(s)Taxonomy
methylationPhenylethanolamine N-methyltransferaseBos taurus (cattle)
epinephrine biosynthetic processPhenylethanolamine N-methyltransferaseBos taurus (cattle)
methylationPhenylethanolamine N-methyltransferaseHomo sapiens (human)
epinephrine biosynthetic processPhenylethanolamine N-methyltransferaseHomo sapiens (human)
catecholamine biosynthetic processPhenylethanolamine N-methyltransferaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
phenylethanolamine N-methyltransferase activityPhenylethanolamine N-methyltransferaseBos taurus (cattle)
phenylethanolamine N-methyltransferase activityPhenylethanolamine N-methyltransferaseHomo sapiens (human)
protein bindingPhenylethanolamine N-methyltransferaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
cytosolPhenylethanolamine N-methyltransferaseHomo sapiens (human)
cytosolPhenylethanolamine N-methyltransferaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (7)

Assay IDTitleYearJournalArticle
AID155337Ki ratio of human versus bovine phenylethanolamine N-methyl-transferase2001Bioorganic & medicinal chemistry letters, Jun-18, Volume: 11, Issue:12
Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme.
AID65638Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand2000Journal of medicinal chemistry, Nov-02, Volume: 43, Issue:22
2D QSAR modeling and preliminary database searching for dopamine transporter inhibitors using genetic algorithm variable selection of Molconn Z descriptors.
AID229635Selectivity ratio measured as the ratio of IC50 of NE/IC50 of 5-HT1988Journal of medicinal chemistry, Jan, Volume: 31, Issue:1
Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor.
AID179747In vitro inhibition of serotonin (5-HT) uptake in crude rat brain synaptosomes1988Journal of medicinal chemistry, Jan, Volume: 31, Issue:1
Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor.
AID179744In vitro inhibition of norepinephrine (NE) uptake in crude rat brain synaptosomes1988Journal of medicinal chemistry, Jan, Volume: 31, Issue:1
Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor.
AID155306Inhibitory constant against bovine phenylethanolamine N-methyl-transferase2001Bioorganic & medicinal chemistry letters, Jun-18, Volume: 11, Issue:12
Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme.
AID155320Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli2001Bioorganic & medicinal chemistry letters, Jun-18, Volume: 11, Issue:12
Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (9)

TimeframeStudies, This Drug (%)All Drugs %
pre-19907 (77.78)18.7374
1990's0 (0.00)18.2507
2000's2 (22.22)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other9 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]