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Inhibitor Report for: 6ZWE-Cpd3

Name Class
6ZWE-Cpd3TypeMultitarget
Antioxidant
Benzodioxo
Alkyl linked bis-ligand
Other_NameQRH
Chemical_Nomenclature(6-((2E,4E)-5-(Benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide
(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide
FormulaC36H41BrNO3P
C36H38NO3P
MW (2)
PaperChavarria_2021_Antioxidants.(Basel)_10_329
Structure6ZWE
6ZWI
CommentIC50 microM 5.74+/-0.32 eelACHE 0.0179+/-0.0009 eqBCHE 2.0+/-0.2 humanAChE3.0+/-0.4 humanBCHE
Gene_locushuman-BCHE
human-ACHE
FamilyBCHE
ACHE
InChIKey (2)
CanonicalSMILESC15=C(C=CC(=C1)CCCCC(=O)NCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCO5.[Br-]
c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5
InChI (2)

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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