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Inhibitor Report for: CHEMBL4293015

indolylpiperidine IC50 nM ACHE 3550+/-32 BCHE 0.87 +/- 0.15


General
Type Indole, Piperidine, Derivative of Donepezil, Alkyl linked bis-ligand
Chemical_Nomenclature N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide"
Canonical SMILES CN1C=C(C2=CC=CC=C21)CC(=O)NCCC3CCN(CC3)CC4=CC=CC=C4
InChI InChI=1S/C25H31N3O/c1-27-19-22(23-9-5-6-10-24(23)27)17-25(29)26-14-11-20-12-15-28(16-13-20)18-21-7-3-2-4-8-21/h2-10,19-20H,11-18H2,1H3,(H,26,29)
InChIKey YMWXRPAGHCBLJY-UHFFFAOYSA-N
Other name(s) Compond 2 ; N-[2-(l-Benzyl-piperidin-4-yl)-ethyl]-2-(l-methyI-1H-indol-3-yI)-acetamide ; SCHEMBL3155847 ; BDBM50464942
________________________________________________________________________________________________
MW|389.5
Formula|C25H31N3O
CAS_number|
PubChem|11603489
UniChem|YMWXRPAGHCBLJY-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | CHEMBL4293015 ligand of proteins in family: BCHE

References:
Search PubMed for references concerning: CHEMBL4293015
    Title: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors
    Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Perez V, Martinez-Gonzalez L, Perez DI, Perez C, Canales A, Canada FJ and Martinez A <2 more author(s)>
    Ref: Eur Journal of Medicinal Chemistry, 145:431, 2018 : PubMed