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WWL50

Carbamate inhibitor of mouse CES1 The fluoride compound is WWL50, without fluoride CHEMBL77270 CID 306692

General

Type : Carbamate

Chemical_Nomenclature : 4-fluoro-3-methylphenyl cyclohexylcarbamate || (3-methylphenyl) N-cyclohexylcarbamate

Canonical SMILES : CC1=CC(=CC=C1)OC(=O)NC2CCCCC2

InChI : InChI=1S\/C14H19NO2\/c1-11-6-5-9-13(10-11)17-14(16)15-12-7-3-2-4-8-12\/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,15,16)

InChIKey : HVJIDJLSBZMPDP-UHFFFAOYSA-N

Other name(s) : CHEMBL77270,NSC204378,ZINC1738990,BDBM50128584,Cyclohexyl-carbamic acid m-tolyl ester

MW : 251.30

Formula : C14H18FNO2

CAS_number :

PubChem : 306692

UniChem : HVJIDJLSBZMPDP-UHFFFAOYSA-N

Target

Families : WWL50 ligand of proteins in family
Carb_B_Chordata

References (3)

Title : Substrate-Competitive Activity-Based Profiling of Ester Prodrug Activating Enzymes - Xu_2015_Mol.Pharm_12_3399
Author(s) : Xu H , Majmudar JD , Davda D , Ghanakota P , Kim KH , Carlson HA , Showalter HD , Martin BR , Amidon GL
Ref : Mol Pharm , 12 :3399 , 2015
Abstract : Xu_2015_Mol.Pharm_12_3399
ESTHER : Xu_2015_Mol.Pharm_12_3399
PubMedSearch : Xu_2015_Mol.Pharm_12_3399
PubMedID: 26262434
Gene_locus related to this paper: human-CES1

Title : Superfamily-wide portrait of serine hydrolase inhibition achieved by library-versus-library screening - Bachovchin_2010_Proc.Natl.Acad.Sci.U.S.A_107_20941
Author(s) : Bachovchin DA , Ji T , Li W , Simon GM , Blankman JL , Adibekian A , Hoover H , Niessen S , Cravatt BF
Ref : Proc Natl Acad Sci U S A , 107 :20941 , 2010
Abstract : Bachovchin_2010_Proc.Natl.Acad.Sci.U.S.A_107_20941
ESTHER : Bachovchin_2010_Proc.Natl.Acad.Sci.U.S.A_107_20941
PubMedSearch : Bachovchin_2010_Proc.Natl.Acad.Sci.U.S.A_107_20941
PubMedID: 21084632

Title : Design, synthesis, and structure-activity relationships of alkylcarbamic acid aryl esters, a new class of fatty acid amide hydrolase inhibitors - Tarzia_2003_J.Med.Chem_46_2352
Author(s) : Tarzia G , Duranti A , Tontini A , Piersanti G , Mor M , Rivara S , Plazzi PV , Park C , Kathuria S , Piomelli D
Ref : Journal of Medicinal Chemistry , 46 :2352 , 2003
Abstract : Tarzia_2003_J.Med.Chem_46_2352
ESTHER : Tarzia_2003_J.Med.Chem_46_2352
PubMedSearch : Tarzia_2003_J.Med.Chem_46_2352
PubMedID: 12773040 
Array
(
    [id] => 4224
    [inhibitor] => WWL50
    [type] => Array
        (
            [0] => Carbamate
        )

    [other_name] => Array
        (
            [0] => CHEMBL77270
            [1] => NSC204378
            [2] => ZINC1738990
            [3] => BDBM50128584
            [4] => Cyclohexyl-carbamic acid m-tolyl ester
        )

    [chemical_nomenclature] => 4-fluoro-3-methylphenyl cyclohexylcarbamate || (3-methylphenyl) N-cyclohexylcarbamate
    [formula] => C14H18FNO2
    [cas_number] => 
    [mw] => 251.30
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Tarzia_2003_J.Med.Chem_46_2352 || Bachovchin_2010_Proc.Natl.Acad.Sci.U.S.A_107_20941 || Xu_2015_Mol.Pharm_12_3399
    [comment] => Carbamate inhibitor of mouse CES1 The fluoride compound is WWL50, without fluoride CHEMBL77270 CID 306692
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 306692
    [family] => Carb_B_Chordata
    [inchikey] => HVJIDJLSBZMPDP-UHFFFAOYSA-N
    [canonicalsmiles] => CC1=CC(=CC=C1)OC(=O)NC2CCCCC2
    [inchi] => InChI=1S\/C14H19NO2\/c1-11-6-5-9-13(10-11)17-14(16)15-12-7-3-2-4-8-12\/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,15,16)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)