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NMDA-BCHE-C-2h

Memantine Tetrahydrocarbazol conjugate: inhibit BChE (without noticeable suppression of the AChE activity) and block the ifenprodil-binding site of NMDA receptors containing NR2B subunits

General

Type : Multitarget,NMDA-Ligand,Carbazol,Adamantyl

Chemical_Nomenclature :

Canonical SMILES : CC13CC2CC(C1)(CC(C2)(C3)NCC(C[N]5C4=C(CCCC4)C6=C5C=CC(=C6)F)O)C

InChI : InChI=1S\/C27H37FN2O\/c1-25-10-18-11-26(2,15-25)17-27(12-18,16-25)29-13-20(31)14-30-23-6-4-3-5-21(23)22-9-19(28)7-8-24(22)30\/h7-9,18,20,29,31H,3-6,10-17H2,1-2H3

InChIKey : JSYAQHFJGTVUOE-UHFFFAOYSA-N

Other name(s) :

MW : 424.59

Formula : C27H37FN2O

CAS_number :

PubChem :

UniChem : JSYAQHFJGTVUOE-UHFFFAOYSA-N

Target

Families : NMDA-BCHE-C-2h ligand of proteins in family
BCHE

References (1)

Title : Novel conjugates of aminoadamantanes with carbazole derivatives as potential multitarget agents for AD treatment - Bachurin_2017_Sci.Rep_7_45627
Author(s) : Bachurin SO , Shevtsova EF , Makhaeva GF , Grigoriev VV , Boltneva NP , Kovaleva NV , Lushchekina SV , Shevtsov PN , Neganova ME , Redkozubova OM , Bovina EV , Gabrelyan AV , Fisenko VP , Sokolov VB , Aksinenko AY , Echeverria V , Barreto GE , Aliev G
Ref : Sci Rep , 7 :45627 , 2017
Abstract : Bachurin_2017_Sci.Rep_7_45627
ESTHER : Bachurin_2017_Sci.Rep_7_45627
PubMedSearch : Bachurin_2017_Sci.Rep_7_45627
PubMedID: 28358144 
Array
(
    [id] => 3552
    [inhibitor] => NMDA-BCHE-C-2h
    [type] => Array
        (
            [0] => Multitarget
            [1] => NMDA-Ligand
            [2] => Carbazol
            [3] => Adamantyl
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 
    [formula] => C27H37FN2O
    [cas_number] => 
    [mw] => 424.59
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Bachurin_2017_Sci.Rep_7_45627
    [comment] => Memantine Tetrahydrocarbazol conjugate: inhibit BChE (without noticeable suppression of the AChE activity) and block the ifenprodil-binding site of NMDA receptors containing NR2B subunits
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 
    [family] => BCHE
    [inchikey] => JSYAQHFJGTVUOE-UHFFFAOYSA-N
    [canonicalsmiles] => CC13CC2CC(C1)(CC(C2)(C3)NCC(C[N]5C4=C(CCCC4)C6=C5C=CC(=C6)F)O)C
    [inchi] => InChI=1S\/C27H37FN2O\/c1-25-10-18-11-26(2,15-25)17-27(12-18,16-25)29-13-20(31)14-30-23-6-4-3-5-21(23)22-9-19(28)7-8-24(22)30\/h7-9,18,20,29,31H,3-6,10-17H2,1-2H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)