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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

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MW : 459.45

Formula : C23H28N2O3Se

CAS_number :

PubChem : 72736878

UniChem : PGBBHNPZVCTISZ-UHFFFAOYSA-N

Target

Families : Selenepezil ligand of proteins in family
ACHE

References (2)

1. Selenepezil, a Selenium-Containing Compound, Exerts Neuroprotective Effect via Modulation of the Keap1-Nrf2-ARE Pathway and Attenuates Abeta-Induced Cognitive Impairment in Vivo

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_2019_ACS.Chem.Neurosci_10_2903

Author(s) : Yan J , Pang Y , Zhuang J , Lin H , Zhang Q , Han L , Ke P , Huang X

Ref : ACS Chem Neurosci , 10 :2903 , 2019

Abstract : Yan_2019_ACS.Chem.Neurosci_10_2903

ESTHER : Yan_2019_ACS.Chem.Neurosci_10_2903

PubMedSearch : Yan_2019_ACS.Chem.Neurosci_10_2903

PubMedID: 31035749

2. Synthesis and Evaluation of Multi-Target-Directed Ligands against Alzheimer's Disease Based on the Fusion of Donepezil and Ebselen

Title : Synthesis and Evaluation of Multi-Target-Directed Ligands against Alzheimer's Disease Based on the Fusion of Donepezil and Ebselen - Luo_2013_J.Med.Chem_56_9089

Author(s) : 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

Abstract : Luo_2013_J.Med.Chem_56_9089

ESTHER : Luo_2013_J.Med.Chem_56_9089

PubMedSearch : Luo_2013_J.Med.Chem_56_9089

PubMedID: 24160297

Array
(
    [id] => 3825
    [inhibitor] => Selenepezil
    [type] => Array
        (
            [0] => Organoselenium
            [1] => Thiol-reactive
            [2] => Derivative of Donepezil
            [3] => Piperidine
        )

    [other_name] => Array
        (
            [0] => CHEMBL3086276
            [1] => BDBM50443370
        )

    [chemical_nomenclature] => 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5,6-dimethoxy-1,2-benzoselenazol-3-one
    [formula] => C23H28N2O3Se
    [cas_number] => 
    [mw] => 459.45
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Luo_2013_J.Med.Chem_56_9089 || Yan_2019_ACS.Chem.Neurosci_10_2903
    [comment] => IC50 values of 0.042 muM for Electrophorus electricus acetylcholinesterase and 0.097 muM for human acetylcholinesterase). butyrylcholinesterase inhibitor (IC50 = 1.586 muM
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 72736878
    [family] => ACHE
    [inchikey] => PGBBHNPZVCTISZ-UHFFFAOYSA-N
    [canonicalsmiles] => 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
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)