Chlorotacrine-juglone
Quinone-Tacrine Hybrids Designed To Block Amyloid-beta Aggregation and To Exert Anticholinesterase and Antioxidant Effects. IC50 hAChE 0.72+/-0.06 nM HBChE 542 +/- 16 nM
General
Type : Multitarget,Antioxidant,Derivative of Tacrine,Acridine,Alkyl linked bis-ligand,anti-Abeta-aggregation,Naphthalen
Chemical_Nomenclature : 2-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-5-hydroxynaphthalene-1,4-dione
Canonical SMILES : C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCNC4=CC(=O)C5=C(C4=O)C=CC=C5O
InChI : InChI=1S\/C25H22ClN3O3\/c26-14-8-9-16-19(12-14)29-18-6-2-1-4-15(18)24(16)28-11-10-27-20-13-22(31)23-17(25(20)32)5-3-7-21(23)30\/h3,5,7-9,12-13,27,30H,1-2,4,6,10-11H2,(H,28,29)
InChIKey : QOYHHKMVCBONOU-UHFFFAOYSA-N
Other name(s) : TJH
MW : 447.91
Formula : C25H22ClN3O3
CAS_number :
PubChem : 78350462
UniChem : QOYHHKMVCBONOU-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Chlorotacrine-juglone ligand of proteins in family: ACHE
Stucture : 4TVK Torpedo californica Acetylcholinesterase in complex with a chlorotacrine-juglone hybrid inhibitor
Protein : torca-ACHE
References (1)
| Title : Multitarget Drug Design Strategy: Quinone-Tacrine Hybrids Designed To Block Amyloid-beta Aggregation and To Exert Anticholinesterase and Antioxidant Effects - Nepovimova_2014_J.Med.Chem_57_8576 |
| Author(s) : Nepovimova E , Uliassi E , Korabecny J , Pena-Altamira LE , Samez S , Pesaresi A , Garcia GE , Bartolini M , Andrisano V , Bergamini C , Fato R , Lamba D , Roberti M , Kuca K , Monti B , Bolognesi ML |
| Ref : Journal of Medicinal Chemistry , 57 :8576 , 2014 |
| Abstract : Nepovimova_2014_J.Med.Chem_57_8576 |
| ESTHER : Nepovimova_2014_J.Med.Chem_57_8576 |
| PubMedSearch : Nepovimova_2014_J.Med.Chem_57_8576 |
| PubMedID: 25259726 |
| Gene_locus related to this paper: torca-ACHE |