CHEMBL3322232-cpd5a
5a is a highly potent dual inhibitor of hAChE (IC50 2.27 pM) and hBChE (IC50 120 nM)
General
Type : Naphthyridine, Derivative of Tacrine, Acridine, Multitarget, Carboxamide, Alkyl linked bis-ligand, anti-Abeta-aggregation
Chemical_Nomenclature : 5-(4-chlorophenyl)-N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine-9-carboxamide
Canonical SMILES : C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCNC(=O)C4=CC5=C(C=C4)N=C(C6=C5NCCC6)C7=CC=C(C=C7)Cl
InChI : InChI=1S\/C35H33Cl2N5O\/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33\/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43)
InChIKey : NOBALTDRZBHVTJ-UHFFFAOYSA-N
Other name(s) : CHEMBL3322232 || CHEMBL3545562 || BDBM50049862 || Compound 5a
MW : 610.6
Formula : C35H33Cl2N5O
CAS_number :
PubChem : 118709970
UniChem : NOBALTDRZBHVTJ-UHFFFAOYSA-N
Target
Families : CHEMBL3322232-cpd5a ligand of proteins in family
ACHE
BCHE
Protein :
human-ACHE
human-BCHE
References (1)
| Title : Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting beta-amyloid, tau, and cholinesterase pathologies - Di Pietro_2014_Eur.J.Med.Chem_84_107 |
| Author(s) : Di Pietro O , Perez-Areales FJ , Juarez-Jimenez J , Espargaro A , Clos MV , Perez B , Lavilla R , Sabate R , Luque FJ , Munoz-Torrero D |
| Ref : Eur Journal of Medicinal Chemistry , 84C :107 , 2014 |
| Abstract : |
| PubMedSearch : Di Pietro_2014_Eur.J.Med.Chem_84_107 |
| PubMedID: 25016233 |