CHEMBL5196827
deoxyvasicinone derivative hAChE IC50 = 3.29 nM, BACE1 IC50 = 0.129 microM, and Abeta142 aggregation IC50 = 9.26 microM
General
Type : Derivative of Donepezil, Derivative of Deoxyvasicinone, Piperazine, Quinazoline, Metal ion chelator
Chemical_Nomenclature : 3-(4-benzylpiperazin-1-yl)-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)propanamide
Canonical SMILES : C1CC2=NC3=C(C=C(C=C3)NC(=O)CCN4CCN(CC4)CC5=CC=CC=C5)C(=O)N2C1
InChI : InChI=1S\/C25H29N5O2\/c31-24(10-12-28-13-15-29(16-14-28)18-19-5-2-1-3-6-19)26-20-8-9-22-21(17-20)25(32)30-11-4-7-23(30)27-22\/h1-3,5-6,8-9,17H,4,7,10-16,18H2,(H,26,31)
InChIKey : ZHIZWWLUDBQEIU-UHFFFAOYSA-N
Other name(s) : BDBM50595062
MW : 431.5
Formula : C25H29N5O2
CAS_number :
PubChem : 168288454
UniChem : ZHIZWWLUDBQEIU-UHFFFAOYSA-N
Target
References (1)
| Title : Novel Deoxyvasicinone-Donepezil Hybrids as Potential Multitarget Drug Candidates for Alzheimer's Disease - Du_2019_ACS.Chem.Neurosci_10_2397 |
| Author(s) : Du H , Liu X , Xie J , Ma F |
| Ref : ACS Chem Neurosci , 10 :2397 , 2019 |
| Abstract : |
| PubMedSearch : Du_2019_ACS.Chem.Neurosci_10_2397 |
| PubMedID: 30720268 |