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11a-quinoxaline

General

Type : Multitarget,Histamine-Receptor3-H3-Antagonist,Quinoxaline

Chemical_Nomenclature : N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide

Canonical SMILES : C1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N=C3N

InChI : InChI=1S\/C21H23N5O\/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26\/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)

InChIKey : SXTDBNDGQWAIKW-UHFFFAOYSA-N

Other name(s) : CHEMBL1929400,BDBM50359376,CHEMBL1929401

MW : 361.4

Formula : C21H23N5O

CAS_number :

PubChem : 54765288

UniChem : SXTDBNDGQWAIKW-UHFFFAOYSA-N

Target

Families : 11a-quinoxaline ligand of proteins in family
ACHE BCHE Cholinesterase

References (1)

Title : Searching for the Multi-Target-Directed Ligands against Alzheimer's disease: discovery of quinoxaline-based hybrid compounds with AChE, H(3)R and BACE 1 inhibitory activities - Huang_2011_Bioorg.Med.Chem_19_7158
Author(s) : Huang W , Tang L , Shi Y , Huang S , Xu L , Sheng R , Wu P , Li J , Zhou N , Hu Y
Ref : Bioorganic & Medicinal Chemistry , 19 :7158 , 2011
Abstract : Huang_2011_Bioorg.Med.Chem_19_7158
ESTHER : Huang_2011_Bioorg.Med.Chem_19_7158
PubMedSearch : Huang_2011_Bioorg.Med.Chem_19_7158
PubMedID: 22019465 
Array
(
    [id] => 2382
    [inhibitor] => 11a-quinoxaline
    [type] => Array
        (
            [0] => Multitarget
            [1] => Histamine-Receptor3-H3-Antagonist
            [2] => Quinoxaline
        )

    [other_name] => Array
        (
            [0] => CHEMBL1929400
            [1] => BDBM50359376
            [2] => CHEMBL1929401
        )

    [chemical_nomenclature] => N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide
    [formula] => C21H23N5O
    [cas_number] => 
    [mw] => 361.4
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Huang_2011_Bioorg.Med.Chem_19_7158
    [comment] => 
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 54765288
    [family] => ACHE || BCHE || Cholinesterase
    [inchikey] => SXTDBNDGQWAIKW-UHFFFAOYSA-N
    [canonicalsmiles] => C1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N=C3N
    [inchi] => InChI=1S\/C21H23N5O\/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26\/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)