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Inhibitor Report for: JU5

Name Class
JU5Type (5)
Other_Name~{N}-[[(3~{S})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
JU5
6R6V-JU5
Chemical_NomenclatureN-((1-((2-(7-(Diethylamino)-2-oxo-2H-chromen-3-yl)thiazol-4-yl)methyl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2-naphthamide
FormulaC38H45N5O3S
MW651.86
PaperPajk_2020_J.Enzyme.Inhib.Med.Chem_35_498
Structure6R6V
CommentIC50 88nM for human BChE residual activity of 70% mAChE or >74% human AChE. Compound 2C of the paper Pajk et al. derived from inhibitor 5NN0-cpd3 descibed in Kosak et al. 2018
Gene_locushuman-BCHE
CID145946024
FamilyBCHE
InChIKeyGQWCXNBMVVVKQB-MHZLTWQESA-N
CanonicalSMILESCCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=CS3)CN4CCCC(C4)CN(CCN(C)C)C(=O)C5=CC6=CC=CC=C6C=C5
InChIInChI=1S/C38H45N5O3S/c1-5-42(6-2)33-16-15-30-21-34(38(45)46-35(30)22-33)36-39-32(26-47-36)25-41-17-9-10-27(23-41)24-43(19-18-40(3)4)37(44)31-14-13-28-11-7-8-12-29(28)20-31/h7-8,11-16,20-22,26-27H,5-6,9-10,17-19,23-25H2,1-4H3/t27-/m0/s1

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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