IC50 eleel-ACHE 29.3 nM IC50 horse-BCHE 52.3 nM
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
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] => )