Compounds > lu ae58054
Page last updated: 2024-08-03 07:46:24

lu ae58054

Description

Cross-References

ID SourceID
PubMed CID21071390
CHEMBL ID3286580
SCHEMBL ID762762
MeSH IDM0569093

Synonyms (43)

Synonym
bdbm50019754
lu-ae58054
idalopirdine
HY-14338
CS-1347
ly-483518
467459-31-0
lu ae58054
lu ae 58054
59wcj0ynwm ,
unii-59wcj0ynwm
ly483518
idalopirdine [usan:inn]
idalopirdine [who-dd]
idalopirdine [inn]
1h-indole-3-ethanamine, 6-fluoro-n-((3-(2,2,3,3-tetrafluoropropoxy)phenyl)methyl)-
sgs518
lu ae-58054
idalopirdine [usan]
lu-ae-58054
n-(2-(6-fluoro-1h-indol-3-yl)ethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzylamine
CHEMBL3286580
1h-indole-3-ethanamine, 6-fluoro-n-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]-
SCHEMBL762762
D10710
idalopirdine (usan/inn)
2-(6-fluoro-1h-indol-3-yl)-n-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
gtpl8689
AC-30941
AKOS028114439
lu ae58054;idalopirdine
EX-A844
NCGC00378842-04
idalopirdine(lu-ae-58054)
DB11957
FT-0700312
BCP08339
mfcd18633269
2-(6-fluoro-1h-indol-3-yl)-n-(3-(2,2,3,3-tetrafluoropropoxy)benzyl)ethan-1-amine
1h-indole-3-ethanamine,6-fluoro-n-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]-
Q855545
SB16535
DTXSID201026015

Protein Targets (14)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency13.4504AID1645841
GVesicular stomatitis virusPotency9.5221AID1645842
cytochrome P450 2D6Homo sapiens (human)Potency0.0477AID1645840
Interferon betaHomo sapiens (human)Potency9.5221AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency9.5221AID1645842
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency9.5221AID1645842
cytochrome P450 2C9, partialHomo sapiens (human)Potency9.5221AID1645842

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
5-hydroxytryptamine receptor 1AHomo sapiens (human)Ki3.9360AID1520008
D(2) dopamine receptorHomo sapiens (human)Ki1.2150AID1520010
5-hydroxytryptamine receptor 2AHomo sapiens (human)Ki0.7910AID1520007
5-hydroxytryptamine receptor 2CHomo sapiens (human)Ki0.2506AID1154616
5-hydroxytryptamine receptor 6Rattus norvegicus (Norway rat)Ki0.0008AID1626455
5-hydroxytryptamine receptor 7Homo sapiens (human)Ki8.6350AID1520009
5-hydroxytryptamine receptor 6Homo sapiens (human)IC500.5130AID1729635; AID1863242
5-hydroxytryptamine receptor 6Homo sapiens (human)Ki0.0017AID1154619; AID1178357; AID1351506; AID1441516; AID1520006; AID1729629; AID1854627; AID1863240; AID1916468

Other Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
5-hydroxytryptamine receptor 6Homo sapiens (human)Kb0.0041AID1863242

Bioassays (35)

Assay IDTitleYearJournalArticle
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560		Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1154616Displacement of [3H]5-HT from 5-HT2C receptor (unknown origin) expressed in hamster AV12 cells2014Journal of medicinal chemistry, Jul-10, Volume: 57, Issue:13
ISSN: 1520-4804		Novel aza-analogous ergoline derived scaffolds as potent serotonin 5-HT₆ and dopamine D₂ receptor ligands.
AID1178357Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells2014Journal of medicinal chemistry, Sep-11, Volume: 57, Issue:17
ISSN: 1520-4804		Serotonin 5-HT6 receptor antagonists for the treatment of cognitive deficiency in Alzheimer's disease.
AID1863242Antagonist activity at recombinant human 5HT6R expressed in CHO cells assessed as inhibition of 5HT-stimulated cAMP accumulation incubated for 4 hrs by luminescence counter analysis2022Bioorganic & medicinal chemistry, 09-15, Volume: 70ISSN: 1464-3391Novel difluoromethyl-containing 1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole scaffold as potent 5-HT
AID1729629Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membrane measured after 60 mins2021European journal of medicinal chemistry, Jan-15, Volume: 210ISSN: 1768-3254Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT
AID1520010Displacement of [3H]-raclopride from human D2R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID1729622Inhibition of human erythrocyte AChE at 10^-6 M using acetylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagent based Ellman's method relative to control2021European journal of medicinal chemistry, Jan-15, Volume: 210ISSN: 1768-3254Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT
AID1729635Antagonist activity at human 5HT6 receptor expressed in COS-7 cells assessed as inhibition of 5HT-induced cAMP accumulation preincubated for 7 mins followed by 5-HT addition and measured after 10 mins by HTRF assay2021European journal of medicinal chemistry, Jan-15, Volume: 210ISSN: 1768-3254Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT
AID1154619Displacement of [3H]LSD from human 5-HT6 receptor expressed in hamster BHK cells after 60 mins by scintillation counting analysis2014Journal of medicinal chemistry, Jul-10, Volume: 57, Issue:13
ISSN: 1520-4804		Novel aza-analogous ergoline derived scaffolds as potent serotonin 5-HT₆ and dopamine D₂ receptor ligands.
AID1556435Metabolic stability in rat liver microsomes assessed as half life incubated for 20 to 60 mins in presence of metabolic phase 1 cofactors by HPLC-LC/MS analysis2019European journal of medicinal chemistry, Oct-01, Volume: 179ISSN: 1768-32542-Aminoimidazole-based antagonists of the 5-HT
AID1351506Binding affinity to 5HT6R (unknown origin)2018European journal of medicinal chemistry, Jan-20, Volume: 144ISSN: 1768-3254Novel non-sulfonamide 5-HT
AID1863240Displacement of [3H]-LSD from human 5HT6R expressed in CHO cell membranes incubated for 120 mins by scintillation counter method2022Bioorganic & medicinal chemistry, 09-15, Volume: 70ISSN: 1464-3391Novel difluoromethyl-containing 1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole scaffold as potent 5-HT
AID1520013Half life in rat liver microsomes up to 60 mins by HPLC-LC/MS analysis2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID1520007Binding affinity to human 5-HT2AR expressed in HEK293 cells by competitive binding assay2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID1626455Displacement of [3H]Lu AE60157 from rat brain 5-HT6 receptor2016ACS medicinal chemistry letters, Jun-09, Volume: 7, Issue:6
ISSN: 1948-5875		N1-Azinylsulfonyl-1H-indoles: 5-HT6 Receptor Antagonists with Procognitive and Antidepressant-Like Properties.
AID1916468Binding affinity to 5-HT6R (unknown origin) assessed as inhibition constant2021Bioorganic & medicinal chemistry letters, 10-01, Volume: 49ISSN: 1464-3405Chemical update on the potential for serotonin 5-HT
AID1520006Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID1520012Intrinsic clearance in rat liver microsomes up to 60 mins by HPLC-LC/MS analysis relative to control2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID1854627Displacement of [3H]-LSD from human 5HT6 receptor expressed in CHO cells assessed as inhibition constant incubated for 120 mins by liquid scintillation counting analysis2022Bioorganic & medicinal chemistry, 10-01, Volume: 71ISSN: 1464-3391
AID1729625Inhibition of human BuChE using butyrylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagent based Ellman's method2021European journal of medicinal chemistry, Jan-15, Volume: 210ISSN: 1768-3254Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT
AID1729628Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membrane at 10^-5 M measured after 60 mins relative to control2021European journal of medicinal chemistry, Jan-15, Volume: 210ISSN: 1768-3254Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT
AID1520008Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by microbeta plate reader analysis2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID1556434Metabolic stability in rat liver microsomes assessed as intrinsic clearance incubated for 20 to 60 mins in presence of metabolic phase 1 cofactors by HPLC-LC/MS analysis2019European journal of medicinal chemistry, Oct-01, Volume: 179ISSN: 1768-32542-Aminoimidazole-based antagonists of the 5-HT
AID1729627Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membrane at 10^-6 M measured after 60 mins relative to control2021European journal of medicinal chemistry, Jan-15, Volume: 210ISSN: 1768-3254Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT
AID1520009Displacement of [3H]-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by microbeta plate reader analysis2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID1729623Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagent based Ellman's method2021European journal of medicinal chemistry, Jan-15, Volume: 210ISSN: 1768-3254Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT
AID1729636Antagonist activity at human 5HT6 receptor expressed in COS-7 cells assessed as inhibition of 5HT-induced cAMP accumulation preincubated for 7 mins followed by 5-HT addition and measured after 10 mins by HTRF assay relative to control2021European journal of medicinal chemistry, Jan-15, Volume: 210ISSN: 1768-3254Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT
AID1520032Reversal of phencyclidine-induced memory impairment in Sprague-Dawley rat at 1 to 3 mg/kg, po for 2 hrs followed by phencyclidine treatment 45 mins prior to testing by novel object recognition test2020European journal of medicinal chemistry, Jan-01, Volume: 185ISSN: 1768-3254
AID1441516Antagonist activity at 5-HT6 receptor (unknown origin)2017Journal of medicinal chemistry, 03-09, Volume: 60, Issue:5
ISSN: 1520-4804		Discovery and Development of 1-[(2-Bromophenyl)sulfonyl]-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole Dimesylate Monohydrate (SUVN-502): A Novel, Potent, Selective and Orally Active Serotonin 6 (5-HT
AID1346893Human 5-HT2C receptor (5-Hydroxytryptamine receptors)2014Journal of medicinal chemistry, Jul-10, Volume: 57, Issue:13
ISSN: 1520-4804		Novel aza-analogous ergoline derived scaffolds as potent serotonin 5-HT₆ and dopamine D₂ receptor ligands.
AID1345170Human 5-HT6 receptor (5-Hydroxytryptamine receptors)2014Journal of medicinal chemistry, Jul-10, Volume: 57, Issue:13
ISSN: 1520-4804		Novel aza-analogous ergoline derived scaffolds as potent serotonin 5-HT₆ and dopamine D₂ receptor ligands.

Research

Studies (14)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's7 (50.00)24.3611
2020's7 (50.00)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (14.29%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other12 (85.71%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
tacrine
1
acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor202120213.0low000001
theophylline
1
dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent		202120213.0low000001
dan 2163
1
aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic		202120213.0low000001
buspirone
1
azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist		201920195.0low000010
donepezil
4
aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent		201720215.2low000031
memantine
1
adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist		201720177.0low000010
sulpiride
1
benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		202120213.0low000001
corticosterone
1
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		202120213.0low000001
lisuride
1
monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist		2014201410.0low000010
bromocriptine
1
indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist		2014201410.0low000010
pergolide
1
diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist		2014201410.0low000010
ziprasidone
1
1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist		201920195.0low000010
mesulergine
1
ergot alkaloid;
sulfamides		antiparkinson drug;
dopamine agonist;
serotonergic antagonist		2014201410.0low000010
rivastigmine
1
carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent		202120213.0low000001
dizocilpine
1
secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		202120213.0low000001
latrepirdine
2
methylpyridines;
pyridoindole		geroprotector201420216.5low000011
bifeprunox
1
biphenyls2014201410.0low000010
ketoconazole
1
cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine201820186.0low000010
ro 63-0563
2
2014201410.0high000020
ro 4-6790
1
benzenes;
sulfonamide		2014201410.0low000010
sb 271046
3
201420217.7medium000021
ms-245
1
2014201410.0low000010
n-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
1
2014201410.0medium000010
sb 399885
1
2014201410.0low000010
ro4368554
1
2014201410.0medium000010
4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine
1
2014201410.0high000010
vortioxetine
1
aryl sulfide;
N-arylpiperazine		antidepressant;
anxiolytic drug;
serotonergic agonist;
serotonergic antagonist		202120213.0low000001
way 181187
1
202120213.0medium000001
e-6801
1
202120213.0medium000001
way-208466
1
202120213.0medium000001
sb 742457
7
201420217.0high000061
4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylthiazole
1
isoquinolines202120213.0medium000001
sam-531
3
201420216.7high000021
clozapine
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		201920195.0low000010
olanzapine
1
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor		201920195.0low000010
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Acute Confusional Senile Dementia0
4
201420215.8high000022
Alzheimer Disease1
4
201420215.8high000022
Cognition Disorders0
1
2014201410.0low000010
Cognitive Decline0
1
201920195.0low000010
Cognitive Dysfunction0
1
201920195.0low000010
Congenital Zika Syndrome0
1
202020204.0low000010
Disease Models, Animal0
1
202020204.0low000010
Zika Virus Infection0
1
202020204.0low000010

Bioavailability (1)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019