8UE-7AIV-compound5f
Coquelle, N.,Colletier, J.P.
General
Type : Derivative of Huperzine,Quinoline,Alkyl linked bis-ligand,Multitarget,Derivative of Capsaicin,Antioxidant
Chemical_Nomenclature : 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide
Canonical SMILES : CC1=C[CH]2C[CH](C1)Cc3c2c(c4ccc(cc4n3)Cl)NCc5ccc(cc5)CC(=O)NCc6ccc(c(c6)OC)O
InChI : InChI=1S\/C34H34ClN3O3\/c1-20-11-24-13-25(12-20)33-29(14-24)38-28-17-26(35)8-9-27(28)34(33)37-18-22-5-3-21(4-6-22)16-32(40)36-19-23-7-10-30(39)31(15-23)41-2\/h3-10,12,15,17,24-25,39H,11,13-14,16,18-19H2,1-2H3,(H,36,40)(H,37,38)\/t24-,25+\/m0\/s1
InChIKey : BWBXSBFNPJZWIY-LOSJGSFVSA-N
Other name(s) : 8UE,compound5f
MW : 568.11
Formula : C34H34ClN3O3
CAS_number :
PubChem : 156612852
UniChem : BWBXSBFNPJZWIY-LOSJGSFVSA-N
IUPHAR :
Wikipedia :
Target
Families : 8UE-7AIV-compound5f ligand of proteins in family: ACHE
Stucture : 7AIV Crystal structure of Torpedo Californica acetylcholinesterase in complex with 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide compound 5f
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 |