benzohomoadamantane-chlorotacrine-18a
AChE IC50 0.33 nM IC50; BChE IC50 0.5 microM; NMDA receptor IC50 1.2 microM
General
Type : Multitarget, NMDA-Ligand, Adamantyl, Derivative of Tacrine
Chemical_Nomenclature : N-(7-Amino-9-fluoro-7H-5,6,8,9,10,11-hexahydro-5,9:7,11-dimethanobenzo[9]annulen-2-yl)-4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butanamide
Canonical SMILES : C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCC(=O)NC4=CC5=C(C=C4)C6CC7(CC5CC(C6)(C7)F)N
InChI : InChI=1S\/C32H36ClFN4O\/c33-21-7-9-25-28(12-21)38-27-5-2-1-4-24(27)30(25)36-11-3-6-29(39)37-22-8-10-23-19-14-31(34)15-20(26(23)13-22)17-32(35,16-19)18-31\/h7-10,12-13,19-20H,1-6,11,14-18,35H2,(H,36,38)(H,37,39)
InChIKey : KYDRQPDEAFLWHH-UHFFFAOYSA-N
Other name(s) : CHEMBL4471659, BDBM50502563
Target
Families : benzohomoadamantane-chlorotacrine-18a ligand of proteins in family
ACHE
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 |