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Inhibitor Report for: JVB

Not a true inhibitor of Notum compound 11 in Zhao et al compound 40 Fragment-723 IC50 33000 nM


General
Type Pyridine
Chemical_Nomenclature 2-(2-methylphenoxy)-N-pyridin-3-ylacetamide
Canonical SMILES CC1=CC=CC=C1OCC(=O)NC2=CN=CC=C2
InChI InChI=1S/C14H14N2O2/c1-11-5-2-3-7-13(11)18-10-14(17)16-12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKey MUOTYWWZYLNCGX-UHFFFAOYSA-N
Other name(s) initial fragment hit 3 ; 2-(2-methylphenoxy)-N-(pyridin-3-yl)acetamide ; BAS 02906052 ; AC1LF5HP ; TimTec1_007771 ; HMS1556B05 ; ZINC191601 ; STK074474 ; 2-phenoxyacetamide-fragment-723 ; Fragment-723 ; Fragment 723 ; compound 11 ; compound 40
________________________________________________________________________________________________
MW|242.27
Formula|C14H14N2O2
CAS_number|331434-43-6
PubChem|747195
UniChem|MUOTYWWZYLNCGX-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | JVB ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 6R8P: Structure of the Wnt deacetylase notum with inhibitor fragment 723 JVB Pyridine
Protein | human-NOTUM

References:
Search PubMed for references concerning: JVB
    Title: Structural Analysis and Development of Notum Fragment Screening Hits
    Zhao Y, Mahy W, Willis NJ, Woodward HL, Steadman D, Bayle ED, Atkinson BN, Sipthorp J, Vecchia L and Jones EY <11 more author(s)>
    Ref: ACS Chem Neurosci, 13:2060, 2022 : PubMed

            

    Title: Small-molecule inhibitors of carboxylesterase Notum
    Zhao Y, Jolly S, Benvegnu S, Jones EY, Fish PV
    Ref: Future Med Chem, :, 2021 : PubMed

            

    Title: Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen
    Atkinson BN, Steadman D, Zhao YG, Sipthorp J, Vecchia L, Ruza RR, Jeganathan F, Lines G, Frew S and Jones EY <6 more author(s)>
    Ref: Medchemcomm, 10:1361, 2019 : PubMed