CHEMBL4278686
hAChE (IC50 = 6.5 nM) and hGSK-3beta kinase activity (IC50 = 66 nM) hBChE (IC50 = 0.26 microM)
General
Type : GSK-3 kinase inhibitor, Derivative of Tacrine, Multitarget, Thiazole, Carboxamide, Pyridine, Cyclopropyl, Sulfur Compound
Chemical_Nomenclature : 2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-methoxy-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]-1,3-thiazole-5-carboxamide
Canonical SMILES : COC1=C(SC(=N1)C2=CC(=NC=C2)NC(=O)C3CC3)C(=O)NCCCNC4=C5CCCCC5=NC6=CC=CC=C64
InChI : InChI=1S\/C30H32N6O3S\/c1-39-29-26(40-30(36-29)19-13-16-31-24(17-19)35-27(37)18-11-12-18)28(38)33-15-6-14-32-25-20-7-2-4-9-22(20)34-23-10-5-3-8-21(23)25\/h2,4,7,9,13,16-18H,3,5-6,8,10-12,14-15H2,1H3,(H,32,34)(H,33,38)(H,31,35,37)
InChIKey : XYSJVXMQSXKJCN-UHFFFAOYSA-N
Other name(s) : compound 2f [Jiang et al., 2018] || dual GSK-3beta\/AChE inhibitor || GTPL9810 || SCHEMBL23106153
MW : 556.7
Formula : C30H32N6O3S
CAS_number :
PubChem : 132427688
UniChem : XYSJVXMQSXKJCN-UHFFFAOYSA-N
Target
Families : CHEMBL4278686 ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Dual GSK-3beta\/AChE Inhibitors as a New Strategy for Multitargeting Anti-Alzheimer's Disease Drug Discovery - Jiang_2018_ACS.Med.Chem.Lett_9_171 |
| Author(s) : Jiang XY , Chen TK , Zhou JT , He SY , Yang HY , Chen Y , Qu W , Feng F , Sun HP |
| Ref : ACS Med Chem Lett , 9 :171 , 2018 |
| Abstract : |
| PubMedSearch : Jiang_2018_ACS.Med.Chem.Lett_9_171 |
| PubMedID: 29541355 |