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6H13-(R)3

General

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

Chemical_Nomenclature : 1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea || [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium

Canonical SMILES : CN(CC1=CC(=NC=C1)NC(=O)NC2=CC=CC4=C2C3CCCCN3C4=O)CC5=C[N](N=N5)CCNC7=C6CCCCC6=NC8=CC=CC=C78

InChI : InChI=1S\/C38H42N10O2\/c1-46(23-26-24-47(45-44-26)20-18-40-36-27-9-2-4-12-30(27)41-31-13-5-3-10-28(31)36)22-25-16-17-39-34(21-25)43-38(50)42-32-14-8-11-29-35(32)33-15-6-7-19-48(33)37(29)49\/h2,4,8-9,11-12,14,16-17,21,24,33H,3,5-7,10,13,15,18-20,22-23H2,1H3,(H,40,41)(H2,39,42,43,50) || InChI=1S\/C38H44N10O2\/c1-46(23-26-24-47(45-44-26)20-18-40-36-27-9-2-4-12-30(27)41-31-13-5-3-10-28(31)36)22-25-16-17-39-34(21-25)43-38(50)42-32-14-8-11-29-35(32)33-15-6-7-19-48(33)37(29)49\/h2,4,8-9,11-12,14,16-17,21,24,28,31,33,40H,3,5-7,10,13,15,18-20,22-23H2,1H3,(H2,39,42,43,50)\/p+1\/t28?,31?,33-\/m0\/s1

InChIKey : JFZKYPJKWAMWMK-UHFFFAOYSA-N || FYSUEOXLAVKQLL-YVNFUZJASA-O

Other name(s) : FJN

MW : 670.81 || 657.76 || 673.83

Formula : C38H42N10O2 || C37H39N9O3 || C38H45N10O2

CAS_number :

PubChem :

UniChem : JFZKYPJKWAMWMK-UHFFFAOYSA-N || FYSUEOXLAVKQLL-YVNFUZJASA-O

IUPHAR :

Wikipedia :

Target

Families : 6H13-(R)3 ligand of proteins in family: ACHE

Stucture : 6H13 Crystal structure of Torpedo californica ACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea

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 : Oukoloff_2019_Eur.J.Med.Chem_168_58
ESTHER : Oukoloff_2019_Eur.J.Med.Chem_168_58
PubMedSearch : Oukoloff_2019_Eur.J.Med.Chem_168_58
PubMedID: 30798053
Gene_locus related to this paper: torca-ACHE