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Inhibitor Report for: 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 | 1 structure: 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:
Search PubMed for references concerning: 8UE-7AIV-compound5f
    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 E, Coquelle N, Cieslikiewicz-Bouet M, Cisternas P, Oliva CA, Sanchez-Lopez E, Ettcheto M, Bartolini M, De Simone A and Munoz-Torrero D <16 more author(s)>
    Ref: Journal of Medicinal Chemistry, 64:812, 2021 : PubMed