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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
MW646.59
563.67
PaperChavarria_2021_Antioxidants.(Basel)_10_329
Structure (2)
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
InChIInChI=1S/C36H40NO3P.BrH/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33;/h3-11,17-22,24-25,28H,1-2,12-16,23,26-27,29H2;1H
InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+

Send your questions or comments to :
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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