CHEMBL4793341
hAChE Ki 0.023 microM IC50 0.058 microM; hBChE IC50 0.082 microM; human BACE-1 by FRET assay IC50 0.115 microM
General
Type : Trifluoro, Pyrrolidine, Multitarget, BACE1-inhibitor
Chemical_Nomenclature : 1-benzyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
Canonical SMILES : C1CN(CC1NCC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=CC=C3
InChI : InChI=1S\/C19H21F3N2O\/c20-19(21,22)25-18-8-6-15(7-9-18)12-23-17-10-11-24(14-17)13-16-4-2-1-3-5-16\/h1-9,17,23H,10-14H2
InChIKey : RLLGGQDQUFVCQL-UHFFFAOYSA-N
Other name(s) : AChE\/BChE\/BACE-1-IN-1 || BDBM50554155 || AKOS006655685 || HY-147658
MW : 350.4
Formula : C19H21F3N2O
CAS_number :
PubChem : 55464305
UniChem : RLLGGQDQUFVCQL-UHFFFAOYSA-N
Target
Families : CHEMBL4793341 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Design, synthesis, and multitargeted profiling of N-benzylpyrrolidine derivatives for the treatment of Alzheimer's disease - Choubey_2020_Bioorg.Med.Chem_28_115721 |
| Author(s) : Choubey PK , Tripathi A , Sharma P , Shrivastava SK |
| Ref : Bioorganic & Medicinal Chemistry , 28 :115721 , 2020 |
| Abstract : |
| PubMedSearch : Choubey_2020_Bioorg.Med.Chem_28_115721 |
| PubMedID: 33007563 |