8UK-7AIT-compound5c
Coquelle, N.,Colletier, J.P.
General
Type : Derivative of Huperzine,Quinoline,Alkyl linked bis-ligand,Multitarget,Derivative of Capsaicin,Antioxidant
Chemical_Nomenclature : 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide
Canonical SMILES : CC1=C[CH]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[CH](C2)C1
InChI : InChI=1S\/C32H38ClN3O3\/c1-20-13-22-15-23(14-20)31-27(16-22)36-26-18-24(33)9-10-25(26)32(31)34-12-6-4-3-5-7-30(38)35-19-21-8-11-28(37)29(17-21)39-2\/h8-11,13,17-18,22-23,37H,3-7,12,14-16,19H2,1-2H3,(H,34,36)(H,35,38)\/t22-,23+\/m0\/s1
InChIKey : JGUYMIZRMYBDGV-XZOQPEGZSA-N
Other name(s) : 8UK
MW : 548.12
Formula : C32H38ClN3O3
CAS_number :
PubChem :
UniChem : JGUYMIZRMYBDGV-XZOQPEGZSA-N
IUPHAR :
Wikipedia :
Target
Families : 8UK-7AIT-compound5c ligand of proteins in family: ACHE
Stucture : 7AIT Crystal structure of Torpedo Californica acetylcholinesterase in complex with 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide compound 5c
Protein : torca-ACHE
References (1)
| Title : Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP\/PS1 Mice - Viayna_2021_J.Med.Chem_64_812 |
| Author(s) : Viayna E , Coquelle N , Cieslikiewicz-Bouet M , Cisternas P , Oliva CA , Sanchez-Lopez E , Ettcheto M , Bartolini M , De Simone A , Ricchini M , Rendina M , Pons M , Firuzi O , Perez B , Saso L , Andrisano V , Nachon F , Brazzolotto X , Garcia ML , Camins A , Silman I , Jean L , Inestrosa NC , Colletier JP , Renard PY , Munoz-Torrero D |
| Ref : Journal of Medicinal Chemistry , 64 :812 , 2021 |
| Abstract : Viayna_2021_J.Med.Chem_64_812 |
| ESTHER : Viayna_2021_J.Med.Chem_64_812 |
| PubMedSearch : Viayna_2021_J.Med.Chem_64_812 |
| PubMedID: 33356266 |
| Gene_locus related to this paper: human-ACHE |