IC50 hACHE 1nM; IC50 hGKS3beta 31nM
Type : GSK-3 kinase inhibitor, Multitarget, Pyridine, Piperidine, Cyclopropyl, Carboxamide, Derivative of Donepezil
Chemical_Nomenclature : 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyridin-3-yl]pyridine-4-carboxamide
Canonical SMILES : C1CC1C(=O)NC2=NC=CC(=C2)C(=O)NC3=CC(=CN=C3)OCC4CCN(CC4)CC5=CC=C(C=C5)F
InChI : InChI=1S\/C28H30FN5O3\/c29-23-5-1-19(2-6-23)17-34-11-8-20(9-12-34)18-37-25-14-24(15-30-16-25)32-28(36)22-7-10-31-26(13-22)33-27(35)21-3-4-21\/h1-2,5-7,10,13-16,20-21H,3-4,8-9,11-12,17-18H2,(H,32,36)(H,31,33,35)
InChIKey : YNKUUJYZUJYJRR-UHFFFAOYSA-N
Other name(s) : CHEMBL4873612 || BDBM50574588
MW : 503.6
Formula : C28H30FN5O3
CAS_number :
PubChem : 164623938
UniChem : YNKUUJYZUJYJRR-UHFFFAOYSA-N
Families : FG1912 ligand of proteins in family
ACHE
Protein :
human-ACHE
Title : Discovery of 2-(cyclopropanecarboxamido)-N-(5-((1-(4-fluorobenzyl)piperidin-4-yl)methoxy)pyridin-3-yl)isonicotinamide as a potent dual AChE\/GSK3beta inhibitor for the treatment of Alzheimer's disease: Significantly increasing the level of acetylcholine in the brain without affecting that in intestine - Jiang_2021_Eur.J.Med.Chem_223_113663 |
Author(s) : Jiang X , Liu C , Zou M , Xie H , Lin T , Lyu W , Xu J , Li Y , Feng F , Sun H , Liu W |
Ref : Eur Journal of Medicinal Chemistry , 223 :113663 , 2021 |
Abstract : |
PubMedSearch : Jiang_2021_Eur.J.Med.Chem_223_113663 |
PubMedID: 34198150 |