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Inhibitor Report for: Isosorbide-2-benzylcarbamate-5-benzoate

Name Class
Isosorbide-2-benzylcarbamate-5-benzoateTypeIsosorbide
Carbamate
Benzoate
Other_Name (5)
Chemical_Nomenclature[(3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
FormulaC21H21NO6
MW383.4
PaperKhan_2008_Chem.Biol.Interact_175_231
Carolan_2010_J.Med.Chem_53_1190
CommentIC(50) of 4.3 nM for human plasma butyrylcholinesterase, but 1.09 microM for mouse plasma butyrylcholinesterase
Gene_locushuman-BCHE
CID25129141
FamilyBCHE
InChIKeyNIWDLVRLOCHGOV-FCGDIQPGSA-N
CanonicalSMILESC1C(C2C(O1)C(CO2)OC(=O)NCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChIInChI=1S/C21H21NO6/c23-20(15-9-5-2-6-10-15)27-16-12-25-19-17(13-26-18(16)19)28-21(24)22-11-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,22,24)/t16-,17+,18-,19-/m1/s1

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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