Inhibitor Report for: Isosorbide-2-benzylcarbamate-5-salicylate
| Isosorbide-2-benzylcarbamate-5-salicylate | Type | Isosorbide |
|---|
| | Salicylic |
| | Carbamate |
| | Benzoate |
| Other_Name | CHEMBL570764 |
| | BDBM50303940 |
| | 2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-dianhydro-D-glucitol |
| Chemical_Nomenclature | [(3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-hydroxybenzoate |
| Formula | C21H21NO7 |
| MW | 399.39 |
|  |
| Paper | Carolan_2010_J.Med.Chem_53_1190 |
| Comment | IC50 150 pM and selectivity for human BuChE over AChE (666000) and CES2 (23000) |
| Gene_locus | human-BCHE |
| CID | 45487242 |
| Family | BCHE |
| InChIKey | ZFKPOGMAKBXHRD-FCGDIQPGSA-N |
| CanonicalSMILES | C1C(C2C(O1)C(CO2)OC(=O)NCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4O |
| InChI | InChI=1S/C21H21NO7/c23-15-9-5-4-8-14(15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-6-2-1-3-7-13/h1-9,16-19,23H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1 |
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