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Inhibitor Report for: 40V

merging 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+).


General
Type Piperidine, Quinoline, Multitarget, Carboxamide, Metal ion chelator, Inden
Chemical_Nomenclature N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
Canonical SMILES COCCN(CC1CCCN(C1)C2CC3=CC=CC=C3C2)C(=O)C4=CC(=C5C=CC=NC5=C4O)[N+](=O)[O-]
InChI InChI=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
InChIKey XTNPQSRETUCLAG-LJQANCHMSA-N
Other name(s) compound 8g ; N-{[(3r)-1-(2,3-Dihydro-1h-Inden-2-Yl)piperidin-3-Yl]methyl}-8-Hydroxy-N-(2-Methoxyethyl)-5-Nitroquinoline-7-Carboxamide
________________________________________________________________________________________________
MW|504.57
Formula|C28H32N4O5
CAS_number|
PubChem|91810430
UniChem|XTNPQSRETUCLAG-LJQANCHMSA-N
IUPHAR|
Wikipedia|

Target
Families | 40V ligand of proteins in family: BCHE
Stucture | 1 structure: 4XII: X-ray structure of human butyrylcholinesterase complex with 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.C.]pyrazole
Protein | human-BCHE

References:
Search PubMed for references concerning: 40V
    Title: Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents
    Knez D, Brus B, Coquelle N, Sosic I, Sink R, Brazzolotto X, Mravljak J, Colletier JP, Gobec S
    Ref: Bioorganic & Medicinal Chemistry, 23:4442, 2015 : PubMed