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DFAH-12

IC50 eleel-ACHE 29.3 nM IC50 horse-BCHE 52.3 nM

General

Type : Piperidine,Hydroxycinnamic-ester,Multitarget,Antioxidant,Derivative of Donepezil

Chemical_Nomenclature : (E)-N-[3-(1-benzylpiperidin-4-yl)propyl]-N-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

Canonical SMILES : CC1=C(C(=CC=C1)Cl)NC(=O)CN(CCCC2CCN(CC2)CC3=CC=CC=C3)C(=O)C=CC4=CC(=C(C=C4)O)OC

InChI : InChI=1S\/C34H40ClN3O4\/c1-25-8-6-12-29(35)34(25)36-32(40)24-38(33(41)16-14-27-13-15-30(39)31(22-27)42-2)19-7-11-26-17-20-37(21-18-26)23-28-9-4-3-5-10-28\/h3-6,8-10,12-16,22,26,39H,7,11,17-21,23-24H2,1-2H3,(H,36,40)\/b16-14+

InChIKey : KDXWEQCJNQHHIW-JQIJEIRASA-N

Other name(s) : DFAH 12,Donepezil-ferulic acid hybrid 12,CHEMBL4281075,BDBM50467388

MW : 590.1

Formula : C34H40ClN3O4

CAS_number :

PubChem : 145981038

UniChem : KDXWEQCJNQHHIW-JQIJEIRASA-N

Target

Families : DFAH-12 ligand of proteins in family
BCHE ACHE

References (1)

Title : Donepezil-ferulic acid hybrids as anti-Alzheimer drugs - Benchekroun_2015_Future.Med.Chem_7_15
Author(s) : Benchekroun M , Ismaili L , Pudlo M , Luzet V , Gharbi T , Refouvelet B , Marco-Contelles J
Ref : Future Med Chem , 7 :15 , 2015
Abstract : Benchekroun_2015_Future.Med.Chem_7_15
ESTHER : Benchekroun_2015_Future.Med.Chem_7_15
PubMedSearch : Benchekroun_2015_Future.Med.Chem_7_15
PubMedID: 25582330 
Array
(
    [id] => 810
    [inhibitor] => DFAH-12
    [type] => Array
        (
            [0] => Piperidine
            [1] => Hydroxycinnamic-ester
            [2] => Multitarget
            [3] => Antioxidant
            [4] => Derivative of Donepezil
        )

    [other_name] => Array
        (
            [0] => DFAH 12
            [1] => Donepezil-ferulic acid hybrid 12
            [2] => CHEMBL4281075
            [3] => BDBM50467388
        )

    [chemical_nomenclature] => (E)-N-[3-(1-benzylpiperidin-4-yl)propyl]-N-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
    [formula] => C34H40ClN3O4
    [cas_number] => 
    [mw] => 590.1
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Benchekroun_2015_Future.Med.Chem_7_15
    [comment] => IC50 eleel-ACHE 29.3 nM IC50 horse-BCHE 52.3 nM
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 145981038
    [family] => BCHE || ACHE
    [inchikey] => KDXWEQCJNQHHIW-JQIJEIRASA-N
    [canonicalsmiles] => CC1=C(C(=CC=C1)Cl)NC(=O)CN(CCCC2CCN(CC2)CC3=CC=CC=C3)C(=O)C=CC4=CC(=C(C=C4)O)OC
    [inchi] => InChI=1S\/C34H40ClN3O4\/c1-25-8-6-12-29(35)34(25)36-32(40)24-38(33(41)16-14-27-13-15-30(39)31(22-27)42-2)19-7-11-26-17-20-37(21-18-26)23-28-9-4-3-5-10-28\/h3-6,8-10,12-16,22,26,39H,7,11,17-21,23-24H2,1-2H3,(H,36,40)\/b16-14+
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)