Inhibitor Report for: Isosorbide-2-benzylcarbamate-5-benzoate
| Isosorbide-2-benzylcarbamate-5-benzoate | Type | Isosorbide |
|---|
| | 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 |
| Formula | C21H21NO6 |
| MW | 383.4 |
|  |
| Paper | Khan_2008_Chem.Biol.Interact_175_231 |
| | Carolan_2010_J.Med.Chem_53_1190 |
| Comment | IC(50) of 4.3 nM for human plasma butyrylcholinesterase, but 1.09 microM for mouse plasma butyrylcholinesterase |
| Gene_locus | human-BCHE |
| CID | 25129141 |
| Family | BCHE |
| InChIKey | NIWDLVRLOCHGOV-FCGDIQPGSA-N |
| CanonicalSMILES | C1C(C2C(O1)C(CO2)OC(=O)NCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChI | InChI=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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