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JMN4

JMN4 exhibited superior potency for inhibiting recombinant mouse (IC50 = 90 nM) and human (IC50 = 5.9 nM) Lp-PLA2 compared to either WWL153 (IC50 = 290 nM for mouse Lp-PLA2; IC50 = 250 nM for human Lp-PLA2) or P9 (IC50 = 470 nM for mouse Lp-PLA2; IC50 = 100 nM for human Lp-PLA2)

General

Type : Piperazine,Quinoline

Chemical_Nomenclature : (4-phenylphenyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate

Canonical SMILES : CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)OC4=CC=C(C=C4)C5=CC=CC=C5

InChI : InChI=1S\/C27H25N3O2\/c1-20-19-26(24-9-5-6-10-25(24)28-20)29-15-17-30(18-16-29)27(31)32-23-13-11-22(12-14-23)21-7-3-2-4-8-21\/h2-14,19H,15-18H2,1H3

InChIKey : VJMDOENKGACNEX-UHFFFAOYSA-N

Other name(s) : MLS003874821,CHEMBL2132835,SMR002531605,SR-02000001696,SR-02000001696-1

MW : 423.5

Formula : C27H25N3O2

CAS_number :

PubChem : 53364494

UniChem : VJMDOENKGACNEX-UHFFFAOYSA-N

Target

Families : JMN4 ligand of proteins in family
PAF-Acetylhydrolase

Protein :
human-PLA2G7

References (1)

Title : Selective inhibitors and tailored activity probes for lipoprotein-associated phospholipase A(2) - Nagano_2013_Bioorg.Med.Chem.Lett_23_839
Author(s) : Nagano JM , Hsu KL , Whitby LR , Niphakis MJ , Speers AE , Brown SJ , Spicer T , Fernandez-Vega V , Ferguson J , Hodder P , Srinivasan P , Gonzalez TD , Rosen H , Bahnson BJ , Cravatt BF
Ref : Bioorganic & Medicinal Chemistry Lett , 23 :839 , 2013
Abstract : Nagano_2013_Bioorg.Med.Chem.Lett_23_839
ESTHER : Nagano_2013_Bioorg.Med.Chem.Lett_23_839
PubMedSearch : Nagano_2013_Bioorg.Med.Chem.Lett_23_839
PubMedID: 23260346 
Array
(
    [id] => 1137
    [inhibitor] => JMN4
    [type] => Array
        (
            [0] => Piperazine
            [1] => Quinoline
        )

    [other_name] => Array
        (
            [0] => MLS003874821
            [1] => CHEMBL2132835
            [2] => SMR002531605
            [3] => SR-02000001696
            [4] => SR-02000001696-1
        )

    [chemical_nomenclature] => (4-phenylphenyl) 4-(2-methylquinolin-4-yl)piperazine-1-carboxylate
    [formula] => C27H25N3O2
    [cas_number] => 
    [mw] => 423.5
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Nagano_2013_Bioorg.Med.Chem.Lett_23_839
    [comment] => JMN4 exhibited superior potency for inhibiting recombinant mouse (IC50 = 90 nM) and human (IC50 = 5.9 nM) Lp-PLA2 compared to either WWL153 (IC50 = 290 nM for mouse Lp-PLA2\; IC50 = 250 nM for human Lp-PLA2) or P9 (IC50 = 470 nM for mouse Lp-PLA2\; IC50 = 100 nM for human Lp-PLA2)
    [gene_locus] => human-PLA2G7
    [kin_inhibitor] => 
    [cid] => 53364494
    [family] => PAF-Acetylhydrolase
    [inchikey] => VJMDOENKGACNEX-UHFFFAOYSA-N
    [canonicalsmiles] => CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)OC4=CC=C(C=C4)C5=CC=CC=C5
    [inchi] => InChI=1S\/C27H25N3O2\/c1-20-19-26(24-9-5-6-10-25(24)28-20)29-15-17-30(18-16-29)27(31)32-23-13-11-22(12-14-23)21-7-3-2-4-8-21\/h2-14,19H,15-18H2,1H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)