CHEMBL2159662
Ki AChE 6.50 +/- 0.90 nM; Ki BChE 55.00 +/- 6.70 nM; Inhibition of self-mediated amyloid beta (1 to 42) IC50 79.0 microM; Inhibition of beta-secretase IC50 85.0 microM
General
Type : Multitarget, BACE1-inhibitor, Quinoline, Alkyl linked bis-ligand
Chemical_Nomenclature : N-(2-acetylphenyl)-4-(5-quinolin-1-ium-1-ylpentoxy)benzamide bromide
Canonical SMILES : CC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OCCCCC[N+]3=CC=CC4=CC=CC=C43.[Br-]
InChI : InChI=1S\/C29H28N2O3.BrH\/c1-22(32)26-12-4-5-13-27(26)30-29(33)24-15-17-25(18-16-24)34-21-8-2-7-19-31-20-9-11-23-10-3-6-14-28(23)31\;\/h3-6,9-18,20H,2,7-8,19,21H2,1H3\;1H
InChIKey : REKBSQITSBYTGX-UHFFFAOYSA-N
Other name(s) : Compound 2e || CHEMBL2159662 || CHEMBL2221129 || BDBM50394447
Target
Families : CHEMBL2159662 ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Design, synthesis, and bioevaluation of benzamides: novel acetylcholinesterase inhibitors with multi-functions on butylcholinesterase, Abeta aggregation, and beta-secretase - Peng_2012_Bioorg.Med.Chem_20_6739 |
| Author(s) : Peng DY , Sun Q , Zhu XL , Lin HY , Chen Q , Yu NX , Yang WC , Yang GF |
| Ref : Bioorganic & Medicinal Chemistry , 20 :6739 , 2012 |
| Abstract : |
| PubMedSearch : Peng_2012_Bioorg.Med.Chem_20_6739 |
| PubMedID: 23041347 |