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BIGI-3h

Pentatarget-Directed Ligand combining Cholinesterase, Monoamine Oxidase, and Glycogen Synthase Kinase 3beta Inhibition with Calcium Channel Antagonism and Antiaggregating Properties for Alzheimer's Disease

General

Type : Multitarget,Monoamine-oxidase-inhibitor,GSK-3 kinase inhibitor,Calcium Channel Antagonist,anti-Abeta-aggregation,Derivative of Donepezil

Chemical_Nomenclature :

Canonical SMILES : C15=C(OC=C(C1=O)C2NC(N(C(=C2C(OCC)=O)C)CCC3CCN(CC3)CC4=CC=CC=C4)=O)C(=CC(=C5)Cl)Cl

InChI : InChI=1S\/C31H33Cl2N3O5\/c1-3-40-30(38)26-19(2)36(14-11-20-9-12-35(13-10-20)17-21-7-5-4-6-8-21)31(39)34-27(26)24-18-41-29-23(28(24)37)15-22(32)16-25(29)33\/h4-8,15-16,18,20,27H,3,9-14,17H2,1-2H3,(H,34,39)

InChIKey : PCEFDTXXUQXRHF-UHFFFAOYSA-N

Other name(s) : (+\/-)-BIGI-3h

---

MW : 598.52

Formula : C31H33Cl2N3O5

CAS_number :

PubChem :

UniChem : PCEFDTXXUQXRHF-UHFFFAOYSA-N

Target

Families : BIGI-3h ligand of proteins in family
ACHE BCHE

References (1)

1. (+\/-)-BIGI-3h: Pentatarget-Directed Ligand combining Cholinesterase, Monoamine Oxidase, and Glycogen Synthase Kinase 3beta Inhibition with Calcium Channel Antagonism and Antiaggregating Properties for Alzheimer's Disease

Title : (+\/-)-BIGI-3h: Pentatarget-Directed Ligand combining Cholinesterase, Monoamine Oxidase, and Glycogen Synthase Kinase 3beta Inhibition with Calcium Channel Antagonism and Antiaggregating Properties for Alzheimer's Disease - Ismaili_2021_ACS.Chem.Neurosci__

Author(s) : Ismaili L , Monnin J , Etievant A , Arribas RL , Viejo L , Refouvelet B , Soukup O , Janockova J , Hepnarova V , Korabecny J , Kucera T , Jun D , Andrys R , Musilek K , Baguet A , Garcia-Frutos EM , De Simone A , Andrisano V , Bartolini M , de los Rios C , Marco-Contelles J , Haffen E

Ref : ACS Chem Neurosci , : , 2021

Abstract : Ismaili_2021_ACS.Chem.Neurosci__

ESTHER : Ismaili_2021_ACS.Chem.Neurosci__

PubMedSearch : Ismaili_2021_ACS.Chem.Neurosci__

PubMedID: 33797877

Array
(
    [id] => 2052
    [inhibitor] => BIGI-3h
    [type] => Array
        (
            [0] => Multitarget
            [1] => Monoamine-oxidase-inhibitor
            [2] => GSK-3 kinase inhibitor
            [3] => Calcium Channel Antagonist
            [4] => anti-Abeta-aggregation
            [5] => Derivative of Donepezil
        )

    [other_name] => Array
        (
            [0] => (+\/-)-BIGI-3h
        )

    [chemical_nomenclature] => 
    [formula] => C31H33Cl2N3O5
    [cas_number] => 
    [mw] => 598.52
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Ismaili_2021_ACS.Chem.Neurosci__
    [comment] => Pentatarget-Directed Ligand combining Cholinesterase, Monoamine Oxidase, and Glycogen Synthase Kinase 3beta Inhibition with Calcium Channel Antagonism and Antiaggregating Properties for Alzheimer's Disease
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 
    [family] => ACHE || BCHE
    [inchikey] => PCEFDTXXUQXRHF-UHFFFAOYSA-N
    [canonicalsmiles] => C15=C(OC=C(C1=O)C2NC(N(C(=C2C(OCC)=O)C)CCC3CCN(CC3)CC4=CC=CC=C4)=O)C(=CC(=C5)Cl)Cl
    [inchi] => InChI=1S\/C31H33Cl2N3O5\/c1-3-40-30(38)26-19(2)36(14-11-20-9-12-35(13-10-20)17-21-7-5-4-6-8-21)31(39)34-27(26)24-18-41-29-23(28(24)37)15-22(32)16-25(29)33\/h4-8,15-16,18,20,27H,3,9-14,17H2,1-2H3,(H,34,39)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)