Cpd54-BChEin-5-HT6
5-HT6R Ki 26 nM, eqBChE IC50 125nM, hBChE IC50 206nM
General
Type : Multitarget, 5-HT-receptor-ligand, Sulfur Compound, Sulfonamide, Indole, Carbamate, Piperidine, Alkyl linked bis-ligand, tert-Butyloxycarbonyl, tert-Butyl
Chemical_Nomenclature : tert-butyl (3S)-3-[[2-[1-(benzenesulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate
Canonical SMILES : CC(C)(C)OC(=O)N1CCC[C@H](C1)CNCCOC2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4
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\/t21-\/m0\/s1
InChIKey : PAIRCARNMCVGAC-NRFANRHFSA-N
Other name(s) : S8K
MW : 513.65
Formula : C27H35N3O5S
CAS_number :
PubChem : 156600252
UniChem : PAIRCARNMCVGAC-NRFANRHFSA-N
References (1)
| Title : Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT6R antagonists with beta-amyloid anti-aggregation properties - Wichur_2021_Eur.J.Med.Chem_225_113792 |
| Author(s) : Wichur T , Godyn J , Goral I , Latacz G , Bucki A , Siwek A , Gluch-Lutwin M , Mordyl B , Sniecikowska J , Walczak M , Knez D , Jukic M , Salat K , Gobec S , Kolaczkowski M , Malawska B , Brazzolotto X , Wieckowska A |
| Ref : Eur Journal of Medicinal Chemistry , 225 :113792 , 2021 |
| Abstract : |
| PubMedSearch : Wichur_2021_Eur.J.Med.Chem_225_113792 |
| PubMedID: 34530376 |
| Gene_locus related to this paper: human-BCHE |