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6-(2-phenylethyl)-THAI-12b

hBChE IC50 13 nM

General

Type : Indole, Azepine

Chemical_Nomenclature : 6-(2-Phenylethyl)-3,4,5,6-tetrahydroazepino[4,3-b]indol-1(2H)-one

Canonical SMILES : C1CC2=C(C3=CC=CC=C3N2CCC4=CC=CC=C4)C(=O)NC1

InChI : InChI=1S\/C20H20N2O\/c23-20-19-16-9-4-5-10-17(16)22(18(19)11-6-13-21-20)14-12-15-7-2-1-3-8-15\/h1-5,7-10H,6,11-14H2,(H,21,23)

InChIKey : MGCVMPGXEBMMCL-UHFFFAOYSA-N

Other name(s) : CHEMBL3971112, BDBM50210852, Compound 12b, 6-(2-phenylethyl)-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one

MW : 304.4

Formula : C20H20N2O

CAS_number :

PubChem : 134153533

UniChem : MGCVMPGXEBMMCL-UHFFFAOYSA-N

Target

Families : 6-(2-phenylethyl)-THAI-12b ligand of proteins in family
BCHE

Protein :
human-BCHE

References (1)

Title : New azepino[4,3-b]indole derivatives as nanomolar selective inhibitors of human butyrylcholinesterase showing protective effects against NMDA-induced neurotoxicity - de Candia_2016_Eur.J.Med.Chem_125_288
Author(s) : de Candia M , Zaetta G , Denora N , Tricarico D , Majellaro M , Cellamare S , Altomare CD
Ref : Eur Journal of Medicinal Chemistry , 125 :288 , 2016
PubMedID: 27688184