Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: 6F7Q-cpd11

N-Propargyliperidines with low nanomolar inhibition of butyrylcholinesterase (Ki = 1.09+/-0.12 nM). In addition, compound 11 show metal-chelating properties, and reduce the redox activity of chelated Cu2+ ions in a Cu-ascorbate redox system good antioxidant activity as determined by the DPPH assay


General
Type Multitarget, Antioxidant, Piperidine, Quinoline, Metal ion chelator, Inden, Carboxamide
Chemical_Nomenclature 4.5.4.(+/-)-N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-8-hydroxyquinoline-2-carboxamide
Canonical SMILES CN(C)CCN(CC1CCCN(C1)C3CC2=CC=CC=C2C3)C(=O)C5=NC4=C(C=CC=C4O)C=C5
InChI InChI=1S/C29H36N4O2.C2H6/c1-31(2)15-16-33(29(35)26-13-12-22-10-5-11-27(34)28(22)30-26)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25;1-2/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3;1-2H3
InChIKey JJYUCJIZTWRMMC-UHFFFAOYSA-N
Other name(s)
________________________________________________________________________________________________
MW|472.62
Formula|C29H36N4O2
CAS_number|
PubChem|
UniChem|JJYUCJIZTWRMMC-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 6F7Q-cpd11 ligand of proteins in family: BCHE
Stucture | 1 structure: 6F7Q: Human Butyrylcholinesterase complexed with N-Propargyliperidines
Protein | human-BCHE

References:
Search PubMed for references concerning: 6F7Q-cpd11
    Title: Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities
    Knez D, Coquelle N, Pislar A, Zakelj S, Jukic M, Sova M, Mravljak J, Nachon F, Brazzolotto X and Gobec S <2 more author(s)>
    Ref: Eur Journal of Medicinal Chemistry, 156:598, 2018 : PubMed