CHEMBL1613299
AChE IC50 0.00411 microM BACE1 (beta-secretase 1) IC50 0.0183 microM, revealed potential metal chelating property, low toxicity on SH-SY5Y neuroblastoma cells and ability to cross the blood-brain barrier (BBB)
General
Type : Carboxamide, Multitarget, Piperidine, BACE1-inhibitor, Dimethoxyphenyl
Chemical_Nomenclature : 1-benzoyl-N-(3,4-dimethoxyphenyl)piperidine-4-carboxamide
Canonical SMILES : COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3)OC
InChI : InChI=1S\/C21H24N2O4\/c1-26-18-9-8-17(14-19(18)27-2)22-20(24)15-10-12-23(13-11-15)21(25)16-6-4-3-5-7-16\/h3-9,14-15H,10-13H2,1-2H3,(H,22,24)
InChIKey : JEPNAQSFBMZOEC-UHFFFAOYSA-N
Other name(s) : Compound 4 || MLS000112662 || HMS2480D24 || BDBM50610546 || STK160211 || N-(3,4-dimethoxyphenyl)-1-(phenylcarbonyl)piperidine-4-carboxamide
MW : 368.4
Formula : C21H24N2O4
CAS_number :
PubChem : 2295521
UniChem : JEPNAQSFBMZOEC-UHFFFAOYSA-N
Target
Families : CHEMBL1613299 ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Design and synthesis of donepezil analogues as dual AChE and BACE-1 inhibitors - Gabr_2018_Bioorg.Chem_80_245 |
| Author(s) : Gabr MT , Abdel-Raziq MS |
| Ref : Bioorg Chem , 80 :245 , 2018 |
| Abstract : |
| PubMedSearch : Gabr_2018_Bioorg.Chem_80_245 |
| PubMedID: 29966870 |