benzohomoadamantane-chlorotacrine-18b
AChE IC50 2.5 nM IC50; BChE IC50 21 nM; NMDA receptor IC50 3.4 microM
General
Type : Multitarget, NMDA-Ligand, Adamantyl, Derivative of Tacrine, Alkyl linked bis-ligand
Chemical_Nomenclature : N-(7-Amino-9-fluoro-7H-5,6,8,9,10,11-hexahydro-5,9:7,11-dimethanobenzo[9]annulen-2-yl)-5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentanamide
Canonical SMILES : C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCCC(=O)NC4=CC5=C(C=C4)C6CC7(CC5CC(C6)(C7)F)N
InChI : InChI=1S\/C33H38ClFN4O\/c34-22-8-10-26-29(13-22)39-28-6-2-1-5-25(28)31(26)37-12-4-3-7-30(40)38-23-9-11-24-20-15-32(35)16-21(27(24)14-23)18-33(36,17-20)19-32\/h8-11,13-14,20-21H,1-7,12,15-19,36H2,(H,37,39)(H,38,40)
InChIKey : YCQJXONOYVGKOF-UHFFFAOYSA-N
Other name(s) : CHEMBL4591167, BDBM50502568
MW : 561.1
Formula : C33H38ClFN4O
CAS_number :
PubChem : 155568688
UniChem : YCQJXONOYVGKOF-UHFFFAOYSA-N
References (1)
| Title : A novel class of multitarget anti-Alzheimer benzohomoadamantanechlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors - Perez-Areales_2019_Eur.J.Med.Chem_180_613 |
| Author(s) : Perez-Areales FJ , Turcu AL , Barniol-Xicota M , Pont C , Pivetta D , Espargaro A , Bartolini M , De Simone A , Andrisano V , Perez B , Sabate R , Sureda FX , Vazquez S , Munoz-Torrero D |
| Ref : Eur Journal of Medicinal Chemistry , 180 :613 , 2019 |
| PubMedID: 31351393 |