CHEMBL179455
IC50 AChE 1.55 nM; IC50 Abeta aggregation 13.8microM
General
Type : Acridine, Phenanthridinium, Phenanthrene, Derivative of Tacrine, Derivative of Propidium, Alkyl linked bis-ligand, anti-Abeta-aggregation, Multitarget
Chemical_Nomenclature : 6-phenyl-5-[3-[3-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propylamino]propylamino]propyl]phenanthridin-5-ium-3,8-diamine
Canonical SMILES : C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCNCCCNCCC[N+]4=C5C=C(C=CC5=C6C=CC(=CC6=C4C7=CC=CC=C7)N)N
InChI : InChI=1S\/C41H47N7\/c42-30-17-19-32-33-20-18-31(43)28-39(33)48(41(36(32)27-30)29-11-2-1-3-12-29)26-10-24-45-22-8-21-44-23-9-25-46-40-34-13-4-6-15-37(34)47-38-16-7-5-14-35(38)40\/h1-4,6,11-13,15,17-20,27-28,43-45H,5,7-10,14,16,21-26,42H2,(H,46,47)\/p+1
InChIKey : UXTFWAJYDNDQIT-UHFFFAOYSA-O
Other name(s) : BDBM50158582 || Compound 4 || 3,8-Diamino-6-phenyl-5-(3-{3-[3-(1,2,3,4-tetrahydro-acridin-9-ylamino)-propylamino]-propylamino}-propyl)-phenanthridinium
MW : 638.9
Formula : C41H48N7+
CAS_number :
PubChem : 11169647
UniChem : UXTFWAJYDNDQIT-UHFFFAOYSA-O
Target
Families : CHEMBL179455 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 |