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Tacrine-Melatonin-Feruloyl-5c

Permeable agent with antioxidant properties,cholinesterase inhibitory activity, less hepatotoxicity than tacrine, and neuroprotective capacity, able to activate the Nrf2 transcriptional pathway

General

Type : Derivative of Tacrine,Derivative of Tryptamine,Indole,Multitarget,Feruloyl,Acrylate,Antioxidant,Hydroxycinnamic-ester,Alkyl linked bis-ligand

Chemical_Nomenclature :

Canonical SMILES : O=C(C(=C(C1=CC(=C(O)C=C1)OC)[H])[H])N(CCCCCCCNC3=C2C=C(OC)C=CC2=NC4=C3CCCC4)CC(NCCC5=C[N]C6=C5C=C(OC)C=C6)=O

InChI : InChI=1S\/C44H53N5O6\/c1-53-32-15-17-37-35(26-32)31(28-47-37)21-23-45-42(51)29-49(43(52)20-14-30-13-19-40(50)41(25-30)55-3)24-10-6-4-5-9-22-46-44-34-11-7-8-12-38(34)48-39-18-16-33(54-2)27-36(39)44\/h13-20,25-28,47,50H,4-12,21-24,29H2,1-3H3,(H,45,51)(H,46,48)\/b20-14+

InChIKey : BCHYGDBEGKZQHD-XSFVSMFZSA-N

Other name(s) :

MW : 747.93

Formula : C44H53N5O6

CAS_number :

PubChem :

UniChem : BCHYGDBEGKZQHD-XSFVSMFZSA-N

Target

Families : Tacrine-Melatonin-Feruloyl-5c ligand of proteins in family
BCHE

References (1)

Title : The Antioxidant Additive Approach for Alzheimer's Disease Therapy: New Ferulic (Lipoic) Acid Plus Melatonin Modified Tacrines as Cholinesterases Inhibitors, Direct Antioxidants, and Nuclear Factor (Erythroid-Derived 2)-Like 2 Activators - Benchekroun_2016_J.Med.Chem_59_9967
Author(s) : Benchekroun M , Romero A , Egea J , Leon R , Michalska P , Buendia I , Jimeno ML , Jun D , Janockova J , Sepsova V , Soukup O , Bautista-Aguilera OM , Refouvelet B , Ouari O , Marco-Contelles J , Ismaili L
Ref : Journal of Medicinal Chemistry , 59 :9967 , 2016
Abstract : Benchekroun_2016_J.Med.Chem_59_9967
ESTHER : Benchekroun_2016_J.Med.Chem_59_9967
PubMedSearch : Benchekroun_2016_J.Med.Chem_59_9967
PubMedID: 27736061 
Array
(
    [id] => 3693
    [inhibitor] => Tacrine-Melatonin-Feruloyl-5c
    [type] => Array
        (
            [0] => Derivative of Tacrine
            [1] => Derivative of Tryptamine
            [2] => Indole
            [3] => Multitarget
            [4] => Feruloyl
            [5] => Acrylate
            [6] => Antioxidant
            [7] => Hydroxycinnamic-ester
            [8] => Alkyl linked bis-ligand
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 
    [formula] => C44H53N5O6
    [cas_number] => 
    [mw] => 747.93
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Benchekroun_2016_J.Med.Chem_59_9967
    [comment] => Permeable agent with antioxidant properties,cholinesterase inhibitory activity, less hepatotoxicity than tacrine, and neuroprotective capacity, able to activate the Nrf2 transcriptional pathway
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 
    [family] => BCHE
    [inchikey] => BCHYGDBEGKZQHD-XSFVSMFZSA-N
    [canonicalsmiles] => O=C(C(=C(C1=CC(=C(O)C=C1)OC)[H])[H])N(CCCCCCCNC3=C2C=C(OC)C=CC2=NC4=C3CCCC4)CC(NCCC5=C[N]C6=C5C=C(OC)C=C6)=O
    [inchi] => InChI=1S\/C44H53N5O6\/c1-53-32-15-17-37-35(26-32)31(28-47-37)21-23-45-42(51)29-49(43(52)20-14-30-13-19-40(50)41(25-30)55-3)24-10-6-4-5-9-22-46-44-34-11-7-8-12-38(34)48-39-18-16-33(54-2)27-36(39)44\/h13-20,25-28,47,50H,4-12,21-24,29H2,1-3H3,(H,45,51)(H,46,48)\/b20-14+
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)