Bradanicline

HCID 25147644

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Grundinformationen

CAS: 639489-84-2
Standard-SMILES: O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
InChIKey: OXKRFEWMSWPKKV-GHTZIAJQSA-N
Summenformel: C22H23N3O2
Durchschnittliche Molmasse: 361,4 g/mol
Monoisotopische Masse: 361,17902698

Überblick

Bradanicline, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). Bradanicline belongs to a new class of drugs for the treatment of central nervous system diseases and disorders.

Namen und Bezeichner

Bevorzugter Name: Bradanicline
IUPAC: N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide

Namen und Synonyme

Bradanicline639489-84-2TC-5619BradaniclinaTC 5619ATA-101Bradanicline [USAN:INN]N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamideBRADANICLINE [INN]BRADANICLINE [USAN]UM3821998KBRADANICLINE [WHO-DD]

Weitere Namen anzeigen

ATA101DTXSID402137782-Benzofurancarboxamide, N-((2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo(2.2.2)oct-3-yl)-compound 7a [PMID 23126648]compound 7a (PMID 23126648)N-[(2S,3R)-2-[(pyridin-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamidebradaniclinum2-Benzofurancarboxamide, N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-

Datenbank-Bezeichner

CAS: 639489-84-2
PubChem CID: 25147644
DTXSID: DTXSID40213778
ChEMBL: CHEMBL1258006
UNII: UM3821998K
Nikkaji: J3.283.372A

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP: 3,5
Polarare Oberfläche (TPSA): 58,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 27
Formalladung: 0
Komplexität: 534

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

Bradanicline, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). The α7 NNR is associated with a variety of biological functions. In particular, the α7 NNR has been shown in animal studies to be an essential regulator of both inflammation arising from injury or infection and cognitive functions. α7 NNR plays a role in protecting neuronal cells from deterioration and death, a process known as neuroprotection.