AE027
AE027 inhibitor against both WT and resistant (F331Y) AChE, exhibiting IC(50) values of 10 and 43 microM, respectively
General
Type : Benzodioxo
Chemical_Nomenclature : N'-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N'-(furan-2-ylmethyl)-N,N-dimethylpropane-1,3-diamine
Canonical SMILES : CN(C)CCCN(CC1=CC=CO1)CC2=CC3=C(C=C2Cl)OCO3
InChI : InChI=1S\/C18H23ClN2O3\/c1-20(2)6-4-7-21(12-15-5-3-8-22-15)11-14-9-17-18(10-16(14)19)24-13-23-17\/h3,5,8-10H,4,6-7,11-13H2,1-2H3
InChIKey : ZATOMCCRHMNTRQ-UHFFFAOYSA-N
Other name(s) : AKOS000787013
MW : 350.8
Formula : C18H23ClN2O3
CAS_number :
PubChem : 25911966
UniChem : ZATOMCCRHMNTRQ-UHFFFAOYSA-N
Target
Families : AE027 ligand of proteins in family
ACHE
Protein :
cimle-ACHE1
References (1)
| Title : Identification of a Novel Inhibitor of Cimex lectularius Acetylcholinesterase - Qin_2024_J.Agric.Food.Chem__ |
| Author(s) : Qin J , Yuchi Z |
| Ref : Journal of Agricultural and Food Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Qin_2024_J.Agric.Food.Chem__ |
| PubMedID: 38771663 |