Compound 3b AChE IC50 = 0.05 +/- 0.02 microM), better than donepezil and baicalein. 3b inhibit the aggregation of A1-42 and penetrate the blood-brain barrier
Type : Coumarin, Piperidine, Carboxamide, Derivative of Donepezil
Chemical_Nomenclature : N-(7-methoxy-2-oxochromen-3-yl)[(3,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
Canonical SMILES : COC1=CC2=C(C=C1)C=C(C(=O)O2)NC(C3CCN(CC3)CC4=CC(=CC(=C4)OC)OC)=O
InChI : InChI=1S\/C25H28N2O6\/c1-30-19-5-4-18-12-22(25(29)33-23(18)14-19)26-24(28)17-6-8-27(9-7-17)15-16-10-20(31-2)13-21(11-16)32-3\/h4-5,10-14,17H,6-9,15H2,1-3H3,(H,26,28)
InChIKey : INSMYWZGUGANRA-UHFFFAOYSA-N
Other name(s) : Compound 3b
Families : Coumarin-dimethoxyphenyl-methylpiperidine-carboxamise-cpd3b ligand of proteins in family
ACHE
Protein :
human-ACHE