Cpd54-BChEin-5-HT6

General

Type : Multitarget,5-HT-receptor-ligand,Sulfur Compound,Sulfonamide,Indole,Alkyl linked bis-ligand,tert-Butyloxycarbonyl,tert-Butyl

Chemical_Nomenclature : Tert-butyl 3-(((2-((1-(phenylsulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate

Canonical SMILES : C1(=CC=CC2=C1C=C[N]2[S](=O)(=O)C3=CC=CC=C3)OCCNCC4CN(CCC4)C(=O)OC(C)(C)C

InChI : InChI=1S\/C27H35N3O5S\/c1-27(2,3)35-26(31)29-16-8-9-21(20-29)19-28-15-18-34-25-13-7-12-24-23(25)14-17-30(24)36(32,33)22-10-5-4-6-11-22\/h4-7,10-14,17,21,28H,8-9,15-16,18-20H2,1-3H3

InChIKey : PAIRCARNMCVGAC-UHFFFAOYSA-N

Other name(s) :

MW : 513.65

Formula : C27H35N3O5S

CAS_number :

PubChem :

UniChem : PAIRCARNMCVGAC-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : Cpd54-BChEin-5-HT6 ligand of proteins in family: BCHE

Stucture : 7AWH Crystal structure of human butyrylcholinesterase in complex with compound 54 tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate

Protein :

References (1)

Title : Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT6R antagonists with beta-amyloid anti-aggregation properties - Wichur_2021_Eur.J.Med.Chem_225_113792

Author(s) : Wichur T , Godyn J , Goral I , Latacz G , Bucki A , Siwek A , Gluch-Lutwin M , Mordyl B , Sniecikowska J , Walczak M , Knez D , Jukic M , Salat K , Gobec S , Kolaczkowski M , Malawska B , Brazzolotto X , Wieckowska A

Ref : Eur Journal of Medicinal Chemistry , 225 :113792 , 2021

Abstract : Wichur_2021_Eur.J.Med.Chem_225_113792

ESTHER : Wichur_2021_Eur.J.Med.Chem_225_113792

PubMedSearch : Wichur_2021_Eur.J.Med.Chem_225_113792

PubMedID: 34530376

Gene_locus related to this paper: human-BCHE

Cpd54-BChEin-5-HT6

General

Target

References (1)

1. Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT6R antagonists with beta-amyloid anti-aggregation properties