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Inhibitor Report for: Cpd27-BChEin-5-HT6

5-HT6R Ki 2.6 nM, eqBChE IC50 473nM


General
Type Multitarget, 5-HT-receptor-ligand, Sulfur Compound, Sulfonamide, Indole, Alkyl linked bis-ligand
Chemical_Nomenclature 2-[1-(Benzenesulfonyl)indol-4-yl]oxy-N-benzylethanamine
Canonical SMILES C1=CC=C(C=C1)CNCCOC2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4
InChI InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2
InChIKey WWCIYLXNRVTMRO-UHFFFAOYSA-N
Other name(s) N-Benzyl-2-((1-(phenylsulfonyl)-1H-indol-4-yl)oxy)ethan-1-amine ; CHEMBL368698
________________________________________________________________________________________________
MW|406.5
Formula|C23H22N2O3S
CAS_number|
PubChem|44389529
UniChem|WWCIYLXNRVTMRO-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Cpd27-BChEin-5-HT6 ligand of proteins in family: BCHE
Stucture | 1 structure: 7AWG: Crystal structure of human butyrylcholinesterase in complex with compound 27 (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine

References:
Search PubMed for references concerning: Cpd27-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