CHEMBL4762982
BuChE: IC(50) = 5.24 microM; AChE: IC(50) = 0.37 microM and hMAO-B IC(50) = 0.272 microM
General
Type : Derivative of Donepezil, Piperidine, Chromen, Carboxamide, Multitarget, BACE1-inhibitor, Benzylpiperidine
Chemical_Nomenclature : N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxo-6-phenylmethoxychromene-3-carboxamide
Canonical SMILES : C1CN(CCC1CCNC(=O)C2=COC3=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5
InChI : InChI=1S\/C31H32N2O4\/c34-30-27-19-26(36-21-25-9-5-2-6-10-25)11-12-29(27)37-22-28(30)31(35)32-16-13-23-14-17-33(18-15-23)20-24-7-3-1-4-8-24\/h1-12,19,22-23H,13-18,20-21H2,(H,32,35)
InChIKey : TUTKEHICBPHHMG-UHFFFAOYSA-N
Other name(s) : BDBM50553085 || compound 5c
MW : 496.6
Formula : C31H32N2O4
CAS_number :
PubChem : 162660163
UniChem : TUTKEHICBPHHMG-UHFFFAOYSA-N
Target
Families : CHEMBL4762982 ligand of proteins in family
ACHE
Protein :
human-ACHE
References (2)
| Title : Recent advancements in chromone as a privileged scaffold towards the development of small molecules for neurodegenerative therapeutics - Madhav_2022_RSC.Med.Chem_13_258 |
| Author(s) : Madhav H , Jameel E , Rehan M , Hoda N |
| Ref : RSC Med Chem , 13 :258 , 2022 |
| Abstract : |
| PubMedSearch : Madhav_2022_RSC.Med.Chem_13_258 |
| PubMedID: 35434628 |
| Title : Chromone and donepezil hybrids as new multipotent cholinesterase and monoamine oxidase inhibitors for the potential treatment of Alzheimer's disease - Wang_2020_RSC.Med.Chem_11_225 |
| Author(s) : Wang XB , Yin FC , Huang M , Jiang N , Lan JS , Kong LY |
| Ref : RSC Med Chem , 11 :225 , 2020 |
| Abstract : |
| PubMedSearch : Wang_2020_RSC.Med.Chem_11_225 |
| PubMedID: 33479629 |