8U5-7AIW-compound5g
Coquelle, N.,Colletier, J.P.
General
Type : Derivative of Huperzine,Quinoline,Alkyl linked bis-ligand,Multitarget,Derivative of Capsaicin,Antioxidant
Chemical_Nomenclature : (E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide
Canonical SMILES : CC1C[CH]2CC(C1)Cc3c2c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O
InChI : InChI=1S\/C35H46ClN3O3\/c1-23-16-25-18-26(17-23)34-30(19-25)39-29-21-27(36)12-13-28(29)35(34)37-15-9-7-5-3-4-6-8-10-33(41)38-22-24-11-14-31(40)32(20-24)42-2\/h11-14,20-21,23,25-26,40H,3-10,15-19,22H2,1-2H3,(H,37,39)(H,38,41)\/t23-,25-,26+\/m0\/s1
InChIKey : QVNUYAPHLZOXQT-AYRHNUGRSA-N
Other name(s) : 8U5
MW : 592.21
Formula : C35H46ClN3O3
CAS_number :
PubChem :
UniChem : QVNUYAPHLZOXQT-AYRHNUGRSA-N
IUPHAR :
Wikipedia :
Target
Families : 8U5-7AIW-compound5g ligand of proteins in family: ACHE
Stucture : 7AIW Crystal structure of Torpedo Californica acetylcholinesterase in complex with (E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide compound 5g
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 |