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Inhibitor Report for: Quinone-polyamine-NSAID-4

derived 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


General
Type Multitarget, 5-Lipoxygenase inhibitor, Alkyl linked bis-ligand
Chemical_Nomenclature 2-[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
Canonical SMILES C1=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
InChI InChI=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)
InChIKey OWEZYYQDVVGJQA-UHFFFAOYSA-N
Other name(s) CHEMBL3087676 ; BDBM50494334
________________________________________________________________________________________________
MW|922.8
Formula|C46H52Cl4N8O4
CAS_number|
PubChem|72544155
UniChem|OWEZYYQDVVGJQA-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Quinone-polyamine-NSAID-4 ligand of proteins in family: BCHE
Protein | human-BCHE

References:
Search PubMed for references concerning: Quinone-polyamine-NSAID-4
    Title: Quinones bearing non-steroidal anti-inflammatory fragments as multitarget ligands for Alzheimer's disease
    Prati F, Bartolini M, Simoni E, De Simone A, Pinto A, Andrisano V, Bolognesi ML
    Ref: Bioorganic & Medicinal Chemistry Lett, 23:6254, 2013 : PubMed