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Inhibitor Report for: Cpd70-BChEin-5-HT6

5-HT6R Ki 369 nM, eqBChE IC50 11nM, hBChE IC50 115nM


General
Type Multitarget, 5-HT-receptor-ligand, Indole, Alkyl linked bis-ligand
Chemical_Nomenclature
Canonical SMILES C1(=CC=CC2=C1C=C[N]2CC3=CC=CC=C3)OCCNCC4CN(CCC4)C(=O)OC(C)(C)C
InChI InChI=1S/C28H37N3O3/c1-28(2,3)34-27(32)31-16-8-11-23(21-31)19-29-15-18-33-26-13-7-12-25-24(26)14-17-30(25)20-22-9-5-4-6-10-22/h4-7,9-10,12-14,17,23,29H,8,11,15-16,18-21H2,1-3H3
InChIKey JFPVRNAGSDCRRM-UHFFFAOYSA-N
Other name(s)
________________________________________________________________________________________________
MW|463.61
Formula|C28H37N3O3
CAS_number|
PubChem|
UniChem|JFPVRNAGSDCRRM-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Cpd70-BChEin-5-HT6 ligand of proteins in family: BCHE
Stucture | 1 structure: 7AWI: Crystal structure of human butyrylcholinesterase in complex with compound 70 tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate

References:
Search PubMed for references concerning: Cpd70-BChEin-5-HT6
    Title: Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT6R antagonists with beta-amyloid anti-aggregation properties
    Wichur T, Godyn J, Goral I, Latacz G, Bucki A, Siwek A, Gluch-Lutwin M, Mordyl B, Sniecikowska J and Wieckowska A <8 more author(s)>
    Ref: Eur Journal of Medicinal Chemistry, 225:113792, 2021 : PubMed