CHEMBL3633865
IC50 AChE 0.027 +/- 0.003 microM
General
Type : Pyridine, Benzofuran, Pyridinium
Chemical_Nomenclature : (E)-3-[1-[(2-bromophenyl)methyl]pyridin-1-ium-3-yl]-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one bromide
Canonical SMILES : C2(=CC1=CC=CC(=C1O2)OC)C(C=CC3=CC=C[N ](=C3)CC4=CC=CC=C4Br)=O.[Br-] || COC1=CC=CC2=C1OC(=C2)C(=O)\/C=C\/C3=C[N+](=CC=C3)CC4=CC=CC=C4Br.[Br-]
InChI : InChI=1S\/C24H19BrNO3.BrH\/c1-28-22-10-4-8-18-14-23(29-24(18)22)21(27)12-11-17-6-5-13-26(15-17)16-19-7-2-3-9-20(19)25\;\/h2-15H,16H2,1H3\;1H\/q+1\;\/p-1\/b12-11+
InChIKey : NTORLFHKPHQTHL-CALJPSDSSA-M
Other name(s) : (E)-1-(2-Bromobenzyl)-3-(3-(7-methoxybenzofuran-2-yl)-3-oxoprop-1-en-1-yl)pyridinium bromide || Compound 6m
MW : 529.2
Formula : C24H19Br2NO3
CAS_number :
PubChem : 122195619
UniChem : NTORLFHKPHQTHL-CALJPSDSSA-M
Target
Families : CHEMBL3633865 ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Synthesis and structure-activity relationship study of benzofuran-based chalconoids bearing benzylpyridinium moiety as potent acetylcholinesterase inhibitors - Mostofi_2015_Eur.J.Med.Chem_103_361 |
| Author(s) : Mostofi M , Mohammadi Ziarani G , Mahdavi M , Moradi A , Nadri H , Emami S , Alinezhad H , Foroumadi A , Shafiee A |
| Ref : Eur Journal of Medicinal Chemistry , 103 :361 , 2015 |
| Abstract : |
| PubMedSearch : Mostofi_2015_Eur.J.Med.Chem_103_361 |
| PubMedID: 26363872 |