Cpd70-BChEin-5-HT6

General

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

Chemical_Nomenclature :

Canonical SMILES : C1(=CC=CC2=C1C=C[N]2CC3=CC=CC=C3)OCCNCC4CN(CCC4)C(=O)OC(C)(C)C

InChI : InChI=1S\/C28H37N3O3\/c1-28(2,3)34-27(32)31-16-8-11-23(21-31)19-29-15-18-33-26-13-7-12-25-24(26)14-17-30(25)20-22-9-5-4-6-10-22\/h4-7,9-10,12-14,17,23,29H,8,11,15-16,18-21H2,1-3H3

InChIKey : JFPVRNAGSDCRRM-UHFFFAOYSA-N

Other name(s) :

MW : 463.61

Formula : C28H37N3O3

CAS_number :

PubChem :

UniChem : JFPVRNAGSDCRRM-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : Cpd70-BChEin-5-HT6 ligand of proteins in family: BCHE

Stucture : 7AWI Crystal structure of human butyrylcholinesterase in complex with compound 70 tert-butyl 3-(((2-((1-benzyl-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

Cpd70-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