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WMY90-5f

MAO A (IC50 = 10 microM; MAO B >100 microM); AChE (IC50 = 29 nM); BuChE (IC50 = 39 nM) metal-chelating capabilities

General

Type : Quinoline,Multitarget,Monoamine-oxidase-inhibitor,Derivative of Donepezil

Chemical_Nomenclature : 4-(1-benzylpiperidin-4-yl)-2-[(8-hydroxyquinolin-2-yl)methyl-prop-2-ynylamino]butanenitrile

Canonical SMILES : C#CCN(CC1=NC2=C(C=CC=C2O)C=C1)C(CCC3CCN(CC3)CC4=CC=CC=C4)C#N

InChI : InChI=1S\/C29H32N4O\/c1-2-17-33(22-26-13-12-25-9-6-10-28(34)29(25)31-26)27(20-30)14-11-23-15-18-32(19-16-23)21-24-7-4-3-5-8-24\/h1,3-10,12-13,23,27,34H,11,14-19,21-22H2

InChIKey : DMOLFVGCLPCFQX-UHFFFAOYSA-N

Other name(s) : CHEMBL3910142,BDBM50197875

MW : 452.6

Formula : C29H32N4O

CAS_number :

PubChem : 134132255

UniChem : DMOLFVGCLPCFQX-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : WMY90-5f ligand of proteins in family: ACHE

Stucture :

Protein :

References (1)

Title : Donepezil-like multifunctional agents: Design, synthesis, molecular modeling and biological evaluation - Wu_2016_Eur.J.Med.Chem_121_864
Author(s) : Wu MY , Esteban G , Brogi S , Shionoya M , Wang L , Campiani G , Unzeta M , Inokuchi T , Butini S , Marco-Contelles J
Ref : Eur Journal of Medicinal Chemistry , 121 :864 , 2016
Abstract : Wu_2016_Eur.J.Med.Chem_121_864
ESTHER : Wu_2016_Eur.J.Med.Chem_121_864
PubMedSearch : Wu_2016_Eur.J.Med.Chem_121_864
PubMedID: 26471320