Cpd70-BChEin-5-HT6
5-HT6R Ki 369 nM, eqBChE IC50 11nM, hBChE IC50 115nM
General
Type : Multitarget, 5-HT-receptor-ligand, Indole, Carbamate, Piperidine, Alkyl linked bis-ligand
Chemical_Nomenclature : 2-(1-benzylindol-4-yl)oxyethyl-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]azanium || tert-butyl (3R)-3-[[2-(1-benzylindol-4-yl)oxyethylamino]methyl]piperidine-1-carboxylate
Canonical SMILES : CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[NH2+]CCOC2=CC=CC3=C2C=CN3CC4=CC=CC=C4 || CC(C)(C)OC(=O)N1CCC[C@@H](C1)CNCCOC2=CC=CC3=C2C=CN3CC4=CC=CC=C4
InChI : InChI=1S\/C28H37N3O3\/c1-28(2,3)34-27(32)31-16-8-11-23(21-31)19-29-15-18-33-26-13-7-12-25-24(26)14-17-30(25)20-22-9-5-4-6-10-22\/h4-7,9-10,12-14,17,23,29H,8,11,15-16,18-21H2,1-3H3\/p+1\/t23-\/m1\/s1 || InChI=1S\/C28H37N3O3\/c1-28(2,3)34-27(32)31-16-8-11-23(21-31)19-29-15-18-33-26-13-7-12-25-24(26)14-17-30(25)20-22-9-5-4-6-10-22\/h4-7,9-10,12-14,17,23,29H,8,11,15-16,18-21H2,1-3H3\/t23-\/m1\/s1
InChIKey : JFPVRNAGSDCRRM-HSZRJFAPSA-O || JFPVRNAGSDCRRM-HSZRJFAPSA-N
Other name(s) : S78
MW : 463.61
Formula : C28H37N3O3
CAS_number :
PubChem : 156600312, 156600253
UniChem : JFPVRNAGSDCRRM-HSZRJFAPSA-O, JFPVRNAGSDCRRM-HSZRJFAPSA-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 |