lipoicacid-donepezil-cpd5
IC50 AChE 7.63+/-1.35 BChE 1.48+/-0.15 nM
General
Type : Multitarget, Sulfur Compound, Alkyl linked bis-ligand, Benzylpiperidine, Derivative of Donepezil
Chemical_Nomenclature : 2-((1-Benzylpiperidin-4-yl)methyl)-5-lipoic-oxy,6-methoxy-2,3-dihydro-1H-inden-1-one
Canonical SMILES : C1=CC=CC(=C1)CN2CCC(CC2)CC4CC3=CC(=C(C=C3C4=O)OCCCCC5CCSS5)OC
InChI : InChI=1S\/C30H39NO3S2\/c1-33-28-19-24-18-25(17-22-10-13-31(14-11-22)21-23-7-3-2-4-8-23)30(32)27(24)20-29(28)34-15-6-5-9-26-12-16-35-36-26\/h2-4,7-8,19-20,22,25-26H,5-6,9-18,21H2,1H3
InChIKey : MDLAFFSFUOWBNI-UHFFFAOYSA-N
Other name(s) : Compound 5
Target
Families : lipoicacid-donepezil-cpd5 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Synthesis and evaluation of lipoic acid - donepezil hybrids for Alzheimer's disease using a straightforward strategy - Luzet_2024_Bioorg.Med.Chem.Lett__129938 |
| Author(s) : Luzet V , Allemand F , Richet C , Dehecq B , Bonet A , Harakat D , Refouvelet B , Martin H , Cardey B , Pudlo M |
| Ref : Bioorganic & Medicinal Chemistry Lett , :129938 , 2024 |
| Abstract : |
| PubMedSearch : Luzet_2024_Bioorg.Med.Chem.Lett__129938 |
| PubMedID: 39222891 |