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Cpd35-Rivastigmine-5-HT6

selective, pseudo-irreversible inhibitor of butyrylcholinesterase (IC50 = 455 nM). Inhibit aggregation of amyloid-beta in vitro 68% at 10 microM. 5-HT6R antagonist Ki 15 nM

General

Type : Derivative of Rivastigmine,Multitarget,5-HT-receptor-ligand,Sulfur Compound,Sulfonamide,Indole,Carbamate,Alkyl linked bis-ligand,anti-Abeta-aggregation

Chemical_Nomenclature : 3-(((2-((2-((1-(Phenylsulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)ethyl)amino)methyl)phenyl ethyl(methyl)carbamate

Canonical SMILES : C1(=CC=CC2=C1C=C[N]2[S](=O)(=O)C3=CC=CC=C3)OCCNCCNCC4=CC(=CC=C4)OC(=O)N(C)CC

InChI : InChI=1S\/C29H34N4O5S\/c1-3-32(2)29(34)38-24-10-7-9-23(21-24)22-31-17-16-30-18-20-37-28-14-8-13-27-26(28)15-19-33(27)39(35,36)25-11-5-4-6-12-25\/h4-15,19,21,30-31H,3,16-18,20,22H2,1-2H3

InChIKey : ICTMWXFVTKPBCM-UHFFFAOYSA-N

Other name(s) :

MW : 550.67

Formula : C29H34N4O5S

CAS_number :

PubChem :

UniChem : ICTMWXFVTKPBCM-UHFFFAOYSA-N

Target

Families : Cpd35-Rivastigmine-5-HT6 ligand of proteins in family
BCHE

References (1)

Title : Discovery of 1-(phenylsulfonyl)-1H-indole-based multifunctional ligands targeting cholinesterases and 5-HT(6) receptor with anti-aggregation properties against amyloid-beta and tau - Wichur_2021_Eur.J.Med.Chem_225_113783
Author(s) : Wichur T , Pasieka A , Godyn J , Panek D , Goral I , Latacz G , Honkisz-Orzechowska E , Bucki A , Siwek A , Gluch-Lutwin M , Knez D , Brazzolotto X , Gobec S , Kolaczkowski M , Sabate R , Malawska B , Wieckowska A
Ref : Eur Journal of Medicinal Chemistry , 225 :113783 , 2021
Abstract : Wichur_2021_Eur.J.Med.Chem_225_113783
ESTHER : Wichur_2021_Eur.J.Med.Chem_225_113783
PubMedSearch : Wichur_2021_Eur.J.Med.Chem_225_113783
PubMedID: 34461507 
Array
(
    [id] => 1725
    [inhibitor] => Cpd35-Rivastigmine-5-HT6
    [type] => Array
        (
            [0] => Derivative of Rivastigmine
            [1] => Multitarget
            [2] => 5-HT-receptor-ligand
            [3] => Sulfur Compound
            [4] => Sulfonamide
            [5] => Indole
            [6] => Carbamate
            [7] => Alkyl linked bis-ligand
            [8] => anti-Abeta-aggregation
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 3-(((2-((2-((1-(Phenylsulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)ethyl)amino)methyl)phenyl ethyl(methyl)carbamate
    [formula] => C29H34N4O5S
    [cas_number] => 
    [mw] => 550.67
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Wichur_2021_Eur.J.Med.Chem_225_113783
    [comment] => selective, pseudo-irreversible inhibitor of butyrylcholinesterase (IC50 = 455 nM). Inhibit aggregation of amyloid-beta in vitro 68\% at 10 microM. 5-HT6R antagonist Ki 15 nM
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 
    [family] => BCHE
    [inchikey] => ICTMWXFVTKPBCM-UHFFFAOYSA-N
    [canonicalsmiles] => C1(=CC=CC2=C1C=C[N]2[S](=O)(=O)C3=CC=CC=C3)OCCNCCNCC4=CC(=CC=C4)OC(=O)N(C)CC
    [inchi] => InChI=1S\/C29H34N4O5S\/c1-3-32(2)29(34)38-24-10-7-9-23(21-24)22-31-17-16-30-18-20-37-28-14-8-13-27-26(28)15-19-33(27)39(35,36)25-11-5-4-6-12-25\/h4-15,19,21,30-31H,3,16-18,20,22H2,1-2H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)