IC50 hAChE 0.009 +/- 0.001 microM; eqBChE 32 +/- 4 % at 10microM
Type : Piperazine, Multitarget, FAAH inhibitor, Derivative of Donepezil
Chemical_Nomenclature : [N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
Canonical SMILES : C1CN(CCN1CCNC(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])CC3=CC=CC=C3
InChI : InChI=1S\/C21H25FN4O4\/c22-18-6-7-19(26(28)29)20(14-18)30-16-21(27)23-8-9-24-10-12-25(13-11-24)15-17-4-2-1-3-5-17\/h1-7,14H,8-13,15-16H2,(H,23,27)
InChIKey : LFMKGNKNBKYFSY-UHFFFAOYSA-N
Other name(s) : CHEMBL5189408 || BDBM50593778
MW : 416.4
Formula : C21H25FN4O4
CAS_number :
PubChem : 168281641
UniChem : LFMKGNKNBKYFSY-UHFFFAOYSA-N
| Title : Structural optimization of donepezil-like hybrids toward an improved multi-target and ADME-related profile - Paparella_2026_Bioorg.Chem_183_110599 |
| Author(s) : Paparella M , Leuci R , Cerini M , Simic S , Chaves S , Carrieri A , Loiodice F , Tortorella P , Laghezza A , Wackerlig-Damle J , Santos MA , Piemontese L |
| Ref : Bioorg Chem , 183 :110599 , 2026 |
| Abstract : |
| PubMedSearch : Paparella_2026_Bioorg.Chem_183_110599 |
| PubMedID: 42826663 |
| Title : Structure-based design of novel donepezil-like hybrids for a multi-target approach to the therapy of Alzheimer's disease - Brunetti_2022_Eur.J.Med.Chem_237_114358 |
| Author(s) : Brunetti L , Leuci R , Carrieri A , Catto M , Occhineri S , Vinci G , Gambacorta L , Baltrukevich H , Chaves S , Laghezza A , Altomare CD , Tortorella P , Santos MA , Loiodice F , Piemontese L |
| Ref : Eur Journal of Medicinal Chemistry , 237 :114358 , 2022 |
| Abstract : |
| PubMedSearch : Brunetti_2022_Eur.J.Med.Chem_237_114358 |
| PubMedID: 35462163 |