Inhibitor Report for: Cpd35-Rivastigmine-5-HT6
Cpd35-Rivastigmine-5-HT6 | Type (9) |
| Chemical_Nomenclature | 3-(((2-((2-((1-(Phenylsulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)ethyl)amino)methyl)phenyl ethyl(methyl)carbamate |
| Formula | C29H34N4O5S |
| MW | 550.67 |
| Pick_me_to_call | display_script | Cpd35-Rivastigmine-5-HT6 |
| Paper | Wichur_2021_Eur.J.Med.Chem_225_113783 |
| Comment | selective, pseudo-irreversible inhibitor of butyrylcholinesterase (IC50 = 455 nM). Inhibit aggregation of amyloid-beta in vitro 68% at 10 microM. 5-HT6R antagonist Ki 15 nM |
| Family | BCHE |
| InChIKey | ICTMWXFVTKPBCM-UHFFFAOYSA-N |
| CanonicalSMILES | C1(=CC=CC2=C1C=C[N]2[S](=O)(=O)C3=CC=CC=C3)OCCNCCNCC4=CC(=CC=C4)OC(=O)N(C)CC |
| InChI | InChI=1S/C29H34N4O5S/c1-3-32(2)29(34)38-24-10-7-9-23(21-24)22-31-17-16-30-18-20-37-28-14-8-13-27-26(28)15-19-33(27)39(35,36)25-11-5-4-6-12-25/h4-15,19,21,30-31H,3,16-18,20,22H2,1-2H3 |
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