Donepezil-chromone-melatonin-hybrid-Cpd14n
BChE IC50 = 11.90 +/- 0.05 nM; hAChE IC50 1.73 +/- 0.34 microM); hMAO A IC50 = 2.78 +/- 0.12 microM; MAO B IC50 = 21.29 +/- 3.85 microM
General
Type : Derivative of Tryptamine, Indole, Alkyl linked bis-ligand, Multitarget, Antioxidant, Benzylpiperidine, Derivative of Donepezil, Chromen, Carboxamide, Monoamine-oxidase-inhibitor
Chemical_Nomenclature : N-(4-(1-benzylpiperidin-4-yl)butyl)-N-(2-((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)-2-oxoethyl)-4-oxo-4H-chromene-2-carboxamide || N-[4-(1-benzylpiperidin-4-yl)butyl]-N-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxochromene-2-carboxamide
Canonical SMILES : COC1=CC2=C(C=C1)NC=C2CCNC(=O)CN(CCCCC3CCN(CC3)CC4=CC=CC=C4)C(=O)C5=CC(=O)C6=CC=CC=C6O5
InChI : InChI=1S\/C39H44N4O5\/c1-47-31-14-15-34-33(23-31)30(25-41-34)16-19-40-38(45)27-43(39(46)37-24-35(44)32-12-5-6-13-36(32)48-37)20-8-7-9-28-17-21-42(22-18-28)26-29-10-3-2-4-11-29\/h2-6,10-15,23-25,28,41H,7-9,16-22,26-27H2,1H3,(H,40,45)
InChIKey : LHSUEACWFJGZKG-UHFFFAOYSA-N
Other name(s) : Compound 14n || CHEMBL5267972 || BDBM50404089
MW : 649.338
Formula : C39H45N4O5
CAS_number :
PubChem : 171351221
UniChem : LHSUEACWFJGZKG-UHFFFAOYSA-N
Target
Families : Donepezil-chromone-melatonin-hybrid-Cpd14n ligand of proteins in family
BCHE
Protein :
human-BCHE
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 : Donepezil + chromone + melatonin hybrids as promising agents for Alzheimer's disease therapy - Pachon-Angona_2019_J.Enzyme.Inhib.Med.Chem_34_479 |
| Author(s) : Pachon-Angona I , Refouvelet B , Andrys R , Martin H , Luzet V , Iriepa I , Moraleda I , Diez-Iriepa D , Oset-Gasque MJ , Marco-Contelles J , Musilek K , Ismaili L |
| Ref : J Enzyme Inhib Med Chem , 34 :479 , 2019 |
| Abstract : |
| PubMedSearch : Pachon-Angona_2019_J.Enzyme.Inhib.Med.Chem_34_479 |
| PubMedID: 30712420 |