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3. LP-935001

LP-935001

IC50 0.4 nM

General

Type : Sulfur Compound

Chemical_Nomenclature : 6-chloro-8-fluoro-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid

Canonical SMILES : C1CC2=C(C=C(C=C2Cl)F)C3=C1C=C(S3)C(=O)O

InChI : InChI=1S\/C13H8ClFO2S\/c14-10-5-7(15)4-9-8(10)2-1-6-3-11(13(16)17)18-12(6)9\/h3-5H,1-2H2,(H,16,17)

InChIKey : CTLWFVLVEGLKGF-UHFFFAOYSA-N

Other name(s) : CHEMBL3760062,BDBM50144578

---

MW : 282.72

Formula : C13H8ClFO2S

CAS_number :

PubChem : 127026072

UniChem : CTLWFVLVEGLKGF-UHFFFAOYSA-N

Target

Families : LP-935001 ligand of proteins in family
Pectinacetylesterase-Notum

Protein :
human-NOTUM mouse-notum

References (3)

1. Small-molecule inhibitors of carboxylesterase Notum

Title : Small-molecule inhibitors of carboxylesterase Notum - Zhao_2021_Future.Med.Chem__

Author(s) : Zhao Y , Jolly S , Benvegnu S , Jones EY , Fish PV

Ref : Future Med Chem , : , 2021

Abstract : Zhao_2021_Future.Med.Chem__

ESTHER : Zhao_2021_Future.Med.Chem__

PubMedSearch : Zhao_2021_Future.Med.Chem__

PubMedID: 33882714

Gene_locus related to this paper: human-NOTUM

2. NOTUM inhibition increases endocortical bone formation and bone strength

Title : NOTUM inhibition increases endocortical bone formation and bone strength - Brommage_2019_Bone.Res_7_2

Author(s) : Brommage R , Liu J , Vogel P , Mseeh F , Thompson AY , Potter DG , Shadoan MK , Hansen GM , Jeter-Jones S , Cui J , Bright D , Bardenhagen JP , Doree DD , Moverare-Skrtic S , Nilsson KH , Henning P , Lerner UH , Ohlsson C , Sands AT , Tarver JE , Powell DR , Zambrowicz B , Liu Q

Ref : Bone Res , 7 :2 , 2019

Abstract : Brommage_2019_Bone.Res_7_2

ESTHER : Brommage_2019_Bone.Res_7_2

PubMedSearch : Brommage_2019_Bone.Res_7_2

PubMedID: 30622831

Gene_locus related to this paper: human-NOTUM

3. 4H-Thieno[3,2-c]chromene based inhibitors of Notum Pectinacetylesterase

Title : 4H-Thieno[3,2-c]chromene based inhibitors of Notum Pectinacetylesterase - Han_2016_Bioorg.Med.Chem.Lett_26_1184

Author(s) : Han Q , Pabba PK , Barbosa J , Mabon R , Healy JP , Gardyan MW , Terranova KM , Brommage R , Thompson AY , Schmidt JM , Wilson AG , Xu X , Tarver JE, Jr. , Carson KG

Ref : Bioorganic & Medicinal Chemistry Lett , 26 :1184 , 2016

Abstract : Han_2016_Bioorg.Med.Chem.Lett_26_1184

ESTHER : Han_2016_Bioorg.Med.Chem.Lett_26_1184

PubMedSearch : Han_2016_Bioorg.Med.Chem.Lett_26_1184

PubMedID: 26821819

Array
(
    [id] => 2703
    [inhibitor] => LP-935001
    [type] => Array
        (
            [0] => Sulfur Compound
        )

    [other_name] => Array
        (
            [0] => CHEMBL3760062
            [1] => BDBM50144578
        )

    [chemical_nomenclature] => 6-chloro-8-fluoro-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
    [formula] => C13H8ClFO2S
    [cas_number] => 
    [mw] => 282.72
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Brommage_2019_Bone.Res_7_2 || Han_2016_Bioorg.Med.Chem.Lett_26_1184 || Zhao_2021_Future.Med.Chem__
    [comment] => IC50 0.4 nM
    [gene_locus] => human-NOTUM || mouse-notum
    [kin_inhibitor] => 
    [cid] => 127026072
    [family] => Pectinacetylesterase-Notum
    [inchikey] => CTLWFVLVEGLKGF-UHFFFAOYSA-N
    [canonicalsmiles] => C1CC2=C(C=C(C=C2Cl)F)C3=C1C=C(S3)C(=O)O
    [inchi] => InChI=1S\/C13H8ClFO2S\/c14-10-5-7(15)4-9-8(10)2-1-6-3-11(13(16)17)18-12(6)9\/h3-5H,1-2H2,(H,16,17)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)