CHEMBL3402707
3b as the most potent and selective human acetylcholinesterase inhibitor hAChE IC50=0.361 muM
General
Chemical_Nomenclature : 2-[5-[benzyl(methyl)amino]pentyl]isoindole-1,3-dione
Canonical SMILES : CN(CCCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=CC=C3
InChI : InChI=1S\/C21H24N2O2\/c1-22(16-17-10-4-2-5-11-17)14-8-3-9-15-23-20(24)18-12-6-7-13-19(18)21(23)25\/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKey : RKDGVPZXUHBKCP-UHFFFAOYSA-N
Other name(s) : Compounsd-3b || CHEMBL3547120 || BDBM50065047
MW : 336.4
Formula : C21H24N2O2
CAS_number :
PubChem : 101911868
UniChem : RKDGVPZXUHBKCP-UHFFFAOYSA-N
Target
Families : CHEMBL3402707 ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Isoindoline-1,3-dione derivatives targeting cholinesterases: Design, synthesis and biological evaluation of potential anti-Alzheimer's agents - Guzior_2015_Bioorg.Med.Chem_23_1629 |
| Author(s) : Guzior N , Bajda M , Rakoczy J , Brus B , Gobec S , Malawska B |
| Ref : Bioorganic & Medicinal Chemistry , 23 :1629 , 2015 |
| Abstract : |
| PubMedSearch : Guzior_2015_Bioorg.Med.Chem_23_1629 |
| PubMedID: 25707322 |