Inhibitor Report for: 3,5-dihydroxybenzamido-huprine-hybrid-11
| 3,5-dihydroxybenzamido-huprine-hybrid-11 | Type (4) |
|---|
| Other_Name (2) |
| Chemical_Nomenclature | N-[9-[(7-chloro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-yl)amino]nonyl]-3,5-dihydroxybenzamide |
| Formula | C33H40ClN3O3 |
| MW | 562.1 |
|  |
| Paper | Pont_2021_Eur.J.Med.Chem_225_113779 |
| Comment | IC50 ACHE 0.00257 microM; IC50 BCHE 0.043 micorM IC50 BACE1 2.71 microM |
| Gene_locus | human-BCHE |
| | human-ACHE |
| CID | 164615947 |
| Family | BCHE |
| | ACHE |
| InChIKey | LODADOWHBHYNFI-UHFFFAOYSA-N |
| CanonicalSMILES | CC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)NCCCCCCCCCNC(=O)C5=CC(=CC(=C5)O)O |
| InChI | InChI=1S/C33H40ClN3O3/c1-21-13-22-15-23(14-21)31-30(16-22)37-29-19-25(34)9-10-28(29)32(31)35-11-7-5-3-2-4-6-8-12-36-33(40)24-17-26(38)20-27(39)18-24/h9-10,13,17-20,22-23,38-39H,2-8,11-12,14-16H2,1H3,(H,35,37)(H,36,40) |
|
|
|
