CHEMBL361165
IC50 AChE 952 nM; IC50 Abeta aggregation 17.7 microM
General
Type : Phenanthridinium, Derivative of Propidium, Alkyl linked bis-ligand, anti-Abeta-aggregation
Chemical_Nomenclature : 5-[3-[3-[3-[(2-methoxyphenyl)methyl-methylamino]propyl-methylamino]propylamino]propyl]-6-phenylphenanthridin-5-ium-3,8-diamine
Canonical SMILES : CN(CCCNCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N)CCCN(C)CC5=CC=CC=C5OC
InChI : InChI=1S\/C38H48N6O\/c1-42(23-11-24-43(2)28-30-14-7-8-15-37(30)45-3)22-9-20-41-21-10-25-44-36-27-32(40)17-19-34(36)33-18-16-31(39)26-35(33)38(44)29-12-5-4-6-13-29\/h4-8,12-19,26-27,40-41H,9-11,20-25,28,39H2,1-3H3\/p+1
InChIKey : SUIMARUJTPHLCU-UHFFFAOYSA-O
Other name(s) : Compound 5 || BDBM50158583 || 3,8-Diamino-5-{3-[3-({3-[(2-methoxy-benzyl)-methyl-amino]-propyl}-methyl-amino)-propylamino]-propyl}-6-phenyl-phenanthridinium
MW : 605.8
Formula : C38H49N6O+
CAS_number :
PubChem : 11445610
UniChem : SUIMARUJTPHLCU-UHFFFAOYSA-O
Target
Families : CHEMBL361165 ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Propidium-based polyamine ligands as potent inhibitors of acetylcholinesterase and acetylcholinesterase-induced amyloid-beta aggregation - Bolognesi_2005_J.Med.Chem_48_24 |
| Author(s) : Bolognesi ML , Andrisano V , Bartolini M , Banzi R , Melchiorre C |
| Ref : Journal of Medicinal Chemistry , 48 :24 , 2005 |
| Abstract : |
| PubMedSearch : Bolognesi_2005_J.Med.Chem_48_24 |
| PubMedID: 15633997 |