Inhibitor Report for: ACHE-GSK-3-27g
| ACHE-GSK-3-27g | Type (3) |
|---|
| Chemical_Nomenclature | 2-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptylamino]-6-(3-fluoropyridin-4-yl)-3-methylpyrimidin-4-one |
| Formula | C30H34ClFN6O |
| MW | 549.1 |
|  |
| Paper | Yao_2021_J.Med.Chem__ |
| Comment | AChE: IC50 = 51.1 nM; GSK-3beta: IC50 = 89.3 nM |
| Gene_locus | human-ACHE |
| CID | 154632938 |
| Family | ACHE |
| InChIKey | LLNZCYJMOMQYIU-UHFFFAOYSA-N |
| CanonicalSMILES | CN1C(=O)C=C(N=C1NCCCCCCCNC2=C3CCCCC3=NC4=C2C=CC(=C4)Cl)C5=C(C=NC=C5)F |
| InChI | InChI=1S/C30H34ClFN6O/c1-38-28(39)18-27(21-13-16-33-19-24(21)32)37-30(38)35-15-8-4-2-3-7-14-34-29-22-9-5-6-10-25(22)36-26-17-20(31)11-12-23(26)29/h11-13,16-19H,2-10,14-15H2,1H3,(H,34,36)(H,35,37) |
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