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LP-914822

human-NOTUM IC50 3.0+/-0.5nM

General

Type : Pyrimidine,Sulfur Compound

Chemical_Nomenclature :

Canonical SMILES : C12=NC=N[C@H](C1C(=C(S2)C)Cl)SCC(=O)O

InChI : InChI=1S\/C9H9ClN2O2S2\/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4\/h3,6,8

InChIKey : KYIJTOQSZPHUPC-XDKWHASVSA-N

Other name(s) :

MW : 276.75

Formula : C9H9ClN2O2S2

CAS_number :

PubChem :

UniChem : KYIJTOQSZPHUPC-XDKWHASVSA-N

Target

Families : LP-914822 ligand of proteins in family
Pectinacetylesterase-Notum

Protein :
human-NOTUM mouse-notum

References (4)

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

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

Title : An improved, scalable synthesis of Notum inhibitor LP-922056 using 1-chloro-1,2-benziodoxol-3-one as a superior electrophilic chlorinating agent - Willis_2019_Beilstein.J.Org.Chem_15_2790
Author(s) : Willis NJ , Bayle ED , Papageorgiou G , Steadman D , Atkinson BN , Mahy W , Fish PV
Ref : Beilstein J Org Chem , 15 :2790 , 2019
Abstract : Willis_2019_Beilstein.J.Org.Chem_15_2790
ESTHER : Willis_2019_Beilstein.J.Org.Chem_15_2790
PubMedSearch : Willis_2019_Beilstein.J.Org.Chem_15_2790
PubMedID: 31807213
Gene_locus related to this paper: human-NOTUM

Title : Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors - Atkinson_2019_Bioorg.Med.Chem.Lett__126751
Author(s) : Atkinson BN , Steadman D , Mahy W , Zhao Y , Sipthorp J , Bayle ED , Svensson F , Papageorgiou G , Jeganathan F , Frew S , Monaghan A , Bictash M , Jones EY , Fish PV
Ref : Bioorganic & Medicinal Chemistry Lett , :126751 , 2019
Abstract : Atkinson_2019_Bioorg.Med.Chem.Lett__126751
ESTHER : Atkinson_2019_Bioorg.Med.Chem.Lett__126751
PubMedSearch : Atkinson_2019_Bioorg.Med.Chem.Lett__126751
PubMedID: 31862412
Gene_locus related to this paper: human-NOTUM 
Array
(
    [id] => 2235
    [inhibitor] => LP-914822
    [type] => Array
        (
            [0] => Pyrimidine
            [1] => Sulfur Compound
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 
    [formula] => C9H9ClN2O2S2
    [cas_number] => 
    [mw] => 276.75
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Willis_2019_Beilstein.J.Org.Chem_15_2790 || Brommage_2019_Bone.Res_7_2 || Zhao_2021_Future.Med.Chem__ || Atkinson_2019_Bioorg.Med.Chem.Lett__126751
    [comment] => human-NOTUM IC50 3.0+\/-0.5nM
    [gene_locus] => human-NOTUM || mouse-notum
    [kin_inhibitor] => 
    [cid] => 
    [family] => Pectinacetylesterase-Notum
    [inchikey] => KYIJTOQSZPHUPC-XDKWHASVSA-N
    [canonicalsmiles] => C12=NC=N[C@H](C1C(=C(S2)C)Cl)SCC(=O)O
    [inchi] => InChI=1S\/C9H9ClN2O2S2\/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4\/h3,6,8
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)