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Inhibitor Report for: Selenepezil

IC50 values of 0.042 muM for Electrophorus electricus acetylcholinesterase and 0.097 muM for human acetylcholinesterase). butyrylcholinesterase inhibitor (IC50 = 1.586 muM


General
Type Organoselenium, Thiol-reactive, Derivative of Donepezil, Piperidine
Chemical_Nomenclature 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5,6-dimethoxy-1,2-benzoselenazol-3-one
Canonical SMILES COC1=C(C=C2C(=C1)C(=O)N([Se]2)CCC3CCN(CC3)CC4=CC=CC=C4)OC
InChI InChI=1S/C23H28N2O3Se/c1-27-20-14-19-22(15-21(20)28-2)29-25(23(19)26)13-10-17-8-11-24(12-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17H,8-13,16H2,1-2H3
InChIKey PGBBHNPZVCTISZ-UHFFFAOYSA-N
Other name(s) CHEMBL3086276 ; BDBM50443370
________________________________________________________________________________________________
MW|459.45
Formula|C23H28N2O3Se
CAS_number|
PubChem|72736878
UniChem|PGBBHNPZVCTISZ-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Selenepezil ligand of proteins in family: ACHE

References:
Search PubMed for references concerning: Selenepezil
    Title: Selenepezil, a Selenium-Containing Compound, Exerts Neuroprotective Effect via Modulation of the Keap1-Nrf2-ARE Pathway and Attenuates Abeta-Induced Cognitive Impairment in Vivo
    Yan J, Pang Y, Zhuang J, Lin H, Zhang Q, Han L, Ke P, Huang X
    Ref: ACS Chem Neurosci, 10:2903, 2019 : PubMed

            

    Title: Synthesis and Evaluation of Multi-Target-Directed Ligands against Alzheimer's Disease Based on the Fusion of Donepezil and Ebselen
    Luo Z, Sheng J, Sun Y, Lu C, Yan J, Liu A, Luo HB, Huang L, Li X
    Ref: Journal of Medicinal Chemistry, 56:9089, 2013 : PubMed