1. Home
2. Inhibitor
3. S06-1011

S06-1011

hBChE IC50 = 16 nM

General

Type : Quinoline,Imidazole,Oxadiazol,Benzimidazole

Chemical_Nomenclature : 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-quinolin-3-ylacetamide

Canonical SMILES : C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CN3C4=CC=CC=C4N=C3C5=NON=C5N

InChI : InChI=1S\/C20H15N7O2\/c21-19-18(25-29-26-19)20-24-15-7-3-4-8-16(15)27(20)11-17(28)23-13-9-12-5-1-2-6-14(12)22-10-13\/h1-10H,11H2,(H2,21,26)(H,23,28)

InChIKey : FPAMWJFOROLHQH-UHFFFAOYSA-N

Other name(s) : CHEMBL5093535,BDBM50582481

---

MW : 385.4

Formula : C20H15N7O2

CAS_number :

PubChem : 141740365

UniChem : FPAMWJFOROLHQH-UHFFFAOYSA-N

Target

Families : S06-1011 ligand of proteins in family
BCHE

Protein :
human-BCHE

References (1)

1. Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection

Title : Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection - Li_2021_J.Med.Chem__

Author(s) : Li Q , Chen Y , Xing S , Liao Q , Xiong B , Wang Y , Lu W , He S , Feng F , Liu W , Sun H

Ref : Journal of Medicinal Chemistry , : , 2021

Abstract : Li_2021_J.Med.Chem__

ESTHER : Li_2021_J.Med.Chem__

PubMedSearch : Li_2021_J.Med.Chem__

PubMedID: 33973470

Array
(
    [id] => 1971
    [inhibitor] => S06-1011
    [type] => Array
        (
            [0] => Quinoline
            [1] => Imidazole
            [2] => Oxadiazol
            [3] => Benzimidazole
        )

    [other_name] => Array
        (
            [0] => CHEMBL5093535
            [1] => BDBM50582481
        )

    [chemical_nomenclature] => 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-quinolin-3-ylacetamide
    [formula] => C20H15N7O2
    [cas_number] => 
    [mw] => 385.4
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Li_2021_J.Med.Chem__
    [comment] => hBChE IC50 = 16 nM
    [gene_locus] => human-BCHE
    [kin_inhibitor] => 
    [cid] => 141740365
    [family] => BCHE
    [inchikey] => FPAMWJFOROLHQH-UHFFFAOYSA-N
    [canonicalsmiles] => C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CN3C4=CC=CC=C4N=C3C5=NON=C5N
    [inchi] => InChI=1S\/C20H15N7O2\/c21-19-18(25-29-26-19)20-24-15-7-3-4-8-16(15)27(20)11-17(28)23-13-9-12-5-1-2-6-14(12)22-10-13\/h1-10H,11H2,(H2,21,26)(H,23,28)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)