Aurone-Donepezil-Cpd5g
IC50 AChE 12.7 +/- 4.9 nM
General
Type : Flavonoid, Benzofuran, Multitarget, Derivative of Donepezil
Chemical_Nomenclature : 5,6-Dimethoxy-2-(2-fluorobenzylpyridine-3-ylmethylene)-benzofuran-3(2H)-one Cl salt
Canonical SMILES : C1(=C(C=C2C(=C1)OC(C2=O)=CC3=C[N+](=CC=C3)CC4=C(C=CC=C4)F)OC)OC.[Cl-]
InChI : InChI=1S\/C23H19FNO4.ClH\/c1-27-20-11-17-19(12-21(20)28-2)29-22(23(17)26)10-15-6-5-9-25(13-15)14-16-7-3-4-8-18(16)24\;\/h3-13H,14H2,1-2H3\;1H\/q+1\;\/p-1
InChIKey : AOVZSSQEEODHRJ-UHFFFAOYSA-M
Other name(s) :
Target
Families : Aurone-Donepezil-Cpd5g ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Hybrid pharmacophore design and synthesis of donepezil-inspired aurone derivative salts as multifunctional acetylcholinesterase inhibitors - Funahashi_2024_Bioorg.Chem_145_107229 |
| Author(s) : Funahashi R , Matsuura F , Ninomiya M , Okabe S , Takashima S , Tanaka K , Nishina A , Koketsu M |
| Ref : Bioorg Chem , 145 :107229 , 2024 |
| PubMedID: 38401360 |