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Inhibitor Report for: Quinone-polyamine-NSAID-4

Name Class
Quinone-polyamine-NSAID-4TypeMultitarget
5-Lipoxygenase inhibitor
Alkyl linked bis-ligand
Other_NameCHEMBL3087676
BDBM50494334
Chemical_Nomenclature2-[2-(2,6-dichloroanilino)phenyl]-N-[3-[3-[[4-[3-[3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]propylamino]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propylamino]propyl]acetamide
FormulaC46H52Cl4N8O4
MW922.8
PaperPrati_2013_Bioorg.Med.Chem.Lett_23_6254
Commentderived from memoquin central benzoquinone core and a fragment taken from non-steroidal anti-inflammatory drugs, connected through polyamine linker. In the present exemple the NSAID is diclofenac. IC50 ACHE 15.4 +/- 1.1 microM; IC50 BCHE 0.36 +/- 0.02 microM
Gene_locushuman-BCHE
CID72544155
FamilyBCHE
InChIKeyOWEZYYQDVVGJQA-UHFFFAOYSA-N
CanonicalSMILESC1=CC=C(C(=C1)CC(=O)NCCCNCCCNC2=CC(=O)C(=CC2=O)NCCCNCCCNC(=O)CC3=CC=CC=C3NC4=C(C=CC=C4Cl)Cl)NC5=C(C=CC=C5Cl)Cl
InChIInChI=1S/C46H52Cl4N8O4/c47-33-13-5-14-34(48)45(33)57-37-17-3-1-11-31(37)27-43(61)55-25-9-21-51-19-7-23-53-39-29-42(60)40(30-41(39)59)54-24-8-20-52-22-10-26-56-44(62)28-32-12-2-4-18-38(32)58-46-35(49)15-6-16-36(46)50/h1-6,11-18,29-30,51-54,57-58H,7-10,19-28H2,(H,55,61)(H,56,62)

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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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