Inhibitor Report for: 40V
40V | Type (6) |
| Other_Name | 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 |
| 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 |
| Formula | C28H32N4O5 |
| MW | 504.57 |
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| Paper | Knez_2015_Bioorg.Med.Chem_23_4442 |
| Structure | 4XII |
| Comment | 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+). |
| Gene_locus | human-BCHE |
| CID | 91810430 |
| Family | BCHE |
| InChIKey | XTNPQSRETUCLAG-LJQANCHMSA-N |
| CanonicalSMILES | 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 |
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