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Inhibitor Report for: Fragment-063-notum-screen

Not inhibitor of Notum IC50 140+/-31 microM


General
Type Urea derivative, Fragment inhibitor of Notum, Benzoxadiazole
Chemical_Nomenclature N-(2,1,3-benzoxadiazol-4-yl)acetamide
Canonical SMILES CC(=O)NC1=CC=CC2=NON=C21
InChI InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKey JJHRQXVBTBBRGJ-UHFFFAOYSA-N
Other name(s) WKA ; N-(2,1,3-Benzoxadiazol-4-yl)acetamide ; 4-Acetamidobenzofurazan ; Acetamide, N-2,1,3-benzoxadiazol-4-yl- ; N-(Benzofurazane-4-yl)acetamide ; ZINC291833
________________________________________________________________________________________________
MW|177.16
Formula|C8H7N3O2
CAS_number|
PubChem|585399
UniChem|JJHRQXVBTBBRGJ-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-063-notum-screen ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7B7X: Structure of the human Wnt deacylase Notum in complex with fragment 063
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-063-notum-screen
    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