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Cpd27-BChEin-5-HT6

5-HT6R Ki 2.6 nM, eqBChE IC50 473nM

General

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

Chemical_Nomenclature : 2-[1-(Benzenesulfonyl)indol-4-yl]oxy-N-benzylethanamine

Canonical SMILES : C1=CC=C(C=C1)CNCCOC2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4

InChI : InChI=1S\/C23H22N2O3S\/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19\/h1-14,16,24H,15,17-18H2

InChIKey : WWCIYLXNRVTMRO-UHFFFAOYSA-N

Other name(s) : N-Benzyl-2-((1-(phenylsulfonyl)-1H-indol-4-yl)oxy)ethan-1-amine,CHEMBL368698

MW : 406.5

Formula : C23H22N2O3S

CAS_number :

PubChem : 44389529

UniChem : WWCIYLXNRVTMRO-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : Cpd27-BChEin-5-HT6 ligand of proteins in family: BCHE

Stucture : 7AWG Crystal structure of human butyrylcholinesterase in complex with compound 27 (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine

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