Donepezil-Melatonin-hybrid-Cpd9
IC50 AChE 0.621 +/- 0.016 microM ; BChE 0.003 +/- 0.0003 microM
General
Type : Derivative of Tryptamine, Indole, Alkyl linked bis-ligand, Multitarget, Antioxidant, Benzylpiperidine, Derivative of Donepezil
Chemical_Nomenclature : (E)-[7-(1-Benzyl-4-piperidyl)heptylimino](3-{2-[(Z)-1-hydroxyethylideneamino]ethyl}-5-indolyloxy)methanol
Canonical SMILES : CC(O)=NCCC1=C[N]([H])C2=C1C=C(C=C2)OC(O)=NCCCCCCCC3CCN(CC3)CC4=CC=CC=C4
InChI : InChI=1S\/C32H44N4O3\/c1-25(37)33-19-15-28-23-35-31-14-13-29(22-30(28)31)39-32(38)34-18-9-4-2-3-6-10-26-16-20-36(21-17-26)24-27-11-7-5-8-12-27\/h5,7-8,11-14,22-23,26,35H,2-4,6,9-10,15-21,24H2,1H3,(H,33,37)(H,34,38)
InChIKey : WNQJOHIOXYRMBO-UHFFFAOYSA-N
Other name(s) : (1E)-[7-(1-benzylpiperidin-4-yl)heptylimino](3-{2-[(1Z)-1-hydroxyeth-1-ylideneamino]ethyl}-1H-indol-5-yloxy)methanol
Target
Families : Donepezil-Melatonin-hybrid-Cpd9 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Donepezil-melatonin hybrids as butyrylcholinesterase inhibitors: Improving binding affinity through varying mode of linking fragments - Lozinska_2018_Arch.Pharm.(Weinheim)__e1800194 |
| Author(s) : Lozinska I , Swierczynska A , Moleda Z , Hartman AM , Hirsch AKH , Czarnocki Z |
| Ref : Arch Pharm (Weinheim) , :e1800194 , 2018 |
| Abstract : |
| PubMedSearch : Lozinska_2018_Arch.Pharm.(Weinheim)__e1800194 |
| PubMedID: 30290008 |