Inhibitor Report for: Cpd54-BChEin-5-HT6
| Cpd54-BChEin-5-HT6 | Type (7) |
|---|
| Chemical_Nomenclature | Tert-butyl 3-(((2-((1-(phenylsulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate |
| Formula | C27H35N3O5S |
| MW | 513.65 |
|  |
| Paper | Wichur_2021_Eur.J.Med.Chem_225_113792 |
| Structure | 7AWH |
| Comment | 5-HT6R Ki 26 nM, eqBChE IC50 125nM, hBChE IC50 206nM |
| Family | BCHE |
| InChIKey | PAIRCARNMCVGAC-UHFFFAOYSA-N |
| CanonicalSMILES | C1(=CC=CC2=C1C=C[N]2[S](=O)(=O)C3=CC=CC=C3)OCCNCC4CN(CCC4)C(=O)OC(C)(C)C |
| InChI | InChI=1S/C27H35N3O5S/c1-27(2,3)35-26(31)29-16-8-9-21(20-29)19-28-15-18-34-25-13-7-12-24-23(25)14-17-30(24)36(32,33)22-10-5-4-6-11-22/h4-7,10-14,17,21,28H,8-9,15-16,18-20H2,1-3H3 |
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