6H14-(S)6

IC50: 9.5 nM for hAChE 395 nM for hBChE and 7 nM for GSK-3alpha/beta CDK-5 0.5 microM

General

Type : Derivative of Tacrine, Derivative of Valmerin, Urea derivative, GSK-3 kinase inhibitor, Multitarget, Isoindole, Indole, Triazol

Chemical_Nomenclature : 1-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)urea

Canonical SMILES : C3CC2=NC1=CC=CC=C1C(=C2CC3)NCC[N]4N=NC(=C4)C5=CN=C(C=C5)NC(NC6=CC=CC7=C6C8N(C7=O)CCCC8)=O

InChI : InChI=1S\/C35H35N9O2\/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-16-15-22(20-37-31)29-21-43(42-41-29)19-17-36-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33\/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,36,38)(H2,37,39,40,46)

InChIKey : OUNZLBTXEMRQQC-UHFFFAOYSA-N

Other name(s) :


MW : 613.71

Formula : C35H35N9O2

CAS_number :

PubChem :

UniChem : OUNZLBTXEMRQQC-UHFFFAOYSA-N

Target

Families : 6H14-(S)6 ligand of proteins in family
ACHE

Structure :
6H14

Protein :
torca-ACHE

References (1)

Title : Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3 - Oukoloff_2019_Eur.J.Med.Chem_168_58
Author(s) : Oukoloff K , Coquelle N , Bartolini M , Naldi M , Le Guevel R , Bach S , Josselin B , Ruchaud S , Catto M , Pisani L , Denora N , Iacobazzi RM , Silman I , Sussman JL , Buron F , Colletier JP , Jean L , Routier S , Renard PY
Ref : Eur Journal of Medicinal Chemistry , 168 :58 , 2019
Abstract :
PubMedSearch : Oukoloff_2019_Eur.J.Med.Chem_168_58
PubMedID: 30798053
Gene_locus related to this paper: torca-ACHE