CHEMBL4240861
compound 13 bearing 2-aminoquinoline scaffold exhibited potent AChE inhibition (IC50 value of 14.7 nM) and BACE-1 inhibition (IC50 value of 13.1 nM)
General
Type : Inden, Multitarget, BACE1-inhibitor, Quinoline
Chemical_Nomenclature : (2Z)-2-[[2-(2-aminoquinolin-6-yl)phenyl]methylidene]-5-methoxy-3H-inden-1-one
Canonical SMILES : COC1=CC2=C(C=C1)C(=O)\/C(=CC3=CC=CC=C3C4=CC5=C(C=C4)N=C(C=C5)N)\/C2
InChI : InChI=1S\/C26H20N2O2\/c1-30-21-8-9-23-19(15-21)14-20(26(23)29)13-16-4-2-3-5-22(16)17-6-10-24-18(12-17)7-11-25(27)28-24\/h2-13,15H,14H2,1H3,(H2,27,28)\/b20-13-
InChIKey : JRVMVHDNABIRIF-MOSHPQCFSA-N
Other name(s) : 2-(2-(2-Aminoquinolin-6-yl)benzylidene)-5-methoxy-2,3-dihydro-1H-inden-1-one || compound 13 [Gabr_2018_Bioorg.Med.Chem.Lett_28_2910 || BDBM50462968
MW : 392.4
Formula : C26H20N2O2
CAS_number :
PubChem : 145982543
UniChem : JRVMVHDNABIRIF-MOSHPQCFSA-N
Target
References (1)
| Title : Structure-based design, synthesis, and evaluation of structurally rigid donepezil analogues as dual AChE and BACE-1 inhibitors - Gabr_2018_Bioorg.Med.Chem.Lett_28_2910 |
| Author(s) : Gabr MT , Abdel-Raziq MS |
| Ref : Bioorganic & Medicinal Chemistry Lett , 28 :2910 , 2018 |
| Abstract : |
| PubMedSearch : Gabr_2018_Bioorg.Med.Chem.Lett_28_2910 |
| PubMedID: 30017317 |