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Inhibitor Report for: 40V

Name Class
40VType (6)
Other_NameCompound 8g
N-{[(3r)-1-(2,3-Dihydro-1h-Inden-2-Yl)piperidin-3-Yl]methyl}-8-Hydroxy-N-(2-Methoxyethyl)-5-Nitroquinoline-7-Carboxamide
Chemical_NomenclatureN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
FormulaC28H32N4O5
MW504.57
PaperKnez_2015_Bioorg.Med.Chem_23_4442
Structure4XII
Commentmerging the scaffold of 8-hydroxyquinoline with that of a known selective butyrylcholinesterase inhibitor. Inhibits with sub-micromolar potency butyrylcholinesterase (IC50=215 nM), and also selectively complexes Cu(2+).
Gene_locushuman-BCHE
CID91810430
FamilyBCHE
InChIKeyXTNPQSRETUCLAG-LJQANCHMSA-N
CanonicalSMILESCOCCN(CC1CCCN(C1)C2CC3=CC=CC=C3C2)C(=O)C4=CC(=C5C=CC=NC5=C4O)[N+](=O)[O-]
InChIInChI=1S/C28H32N4O5/c1-37-13-12-31(28(34)24-16-25(32(35)36)23-9-4-10-29-26(23)27(24)33)18-19-6-5-11-30(17-19)22-14-20-7-2-3-8-21(20)15-22/h2-4,7-10,16,19,22,33H,5-6,11-15,17-18H2,1H3/t19-/m1/s1

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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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