CHEMBL5409365
W-1 dual-target inhibition (AChE: IC50 = 64 nM; BuChE: IC50 = 74 nM)
General
Type : Trifluoro, Oxadiazol, Pyrrolidine
Chemical_Nomenclature : 1-benzyl-N-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine
Canonical SMILES : C1CN(CC1NCC2=NN=C(O2)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4
InChI : InChI=1S\/C21H21F3N4O\/c22-21(23,24)17-8-6-16(7-9-17)20-27-26-19(29-20)12-25-18-10-11-28(14-18)13-15-4-2-1-3-5-15\/h1-9,18,25H,10-14H2
InChIKey : FKBZPOPRHZPSRO-UHFFFAOYSA-N
Other name(s) : BDBM50621461 || 12f || W-1
MW : 402.4
Formula : C21H21F3N4O
CAS_number :
PubChem : 172448296
UniChem : FKBZPOPRHZPSRO-UHFFFAOYSA-N
Target
Families : CHEMBL5409365 ligand of proteins in family
BCHE
ACHE
Protein :
human-BCHE
human-ACHE
References (1)
| Title : Design, synthesis, and evaluation of N-benzylpyrrolidine and 1,3,4-oxadiazole as multitargeted hybrids for the treatment of Alzheimer's disease - Choubey_2021_Bioorg.Chem_111_104922 |
| Author(s) : Choubey PK , Tripathi A , Tripathi MK , Seth A , Shrivastava SK |
| Ref : Bioorg Chem , 111 :104922 , 2021 |
| Abstract : |
| PubMedSearch : Choubey_2021_Bioorg.Chem_111_104922 |
| PubMedID: 33945941 |