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Inhibitor Report for: Fragment-823

Not inhibitor of Notum. Compound 46 Fragment 823 IC50 380+/-130 microM


General
Type Fragment inhibitor of Notum, Pyrimidine
Chemical_Nomenclature 4-methoxy-6-phenylpyrimidin-2-amine
Canonical SMILES COC1=NC(=NC(=C1)C2=CC=CC=C2)N
InChI InChI=1S/C11H11N3O/c1-15-10-7-9(13-11(12)14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)
InChIKey NVXGRADJIFIBIO-UHFFFAOYSA-N
Other name(s) Fragment 823 ; TE5 ; Compound 46 ; 4-methoxy-6-phenylpyrimidin-2-amine ; 4-methoxy-6-phenyl-pyrimidin-2-amine ; CBMicro_018540 ; ChemDiv2_003370 ; Cambridge id 5343571
________________________________________________________________________________________________
MW|201.22
Formula|C11H11N3O
CAS_number|
PubChem|676910
UniChem|NVXGRADJIFIBIO-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Stucture | 1 structure: 7BD3: Structure of the human Wnt deacylase Notum in complex with fragment 823

References:
Search PubMed for references concerning: Fragment-823
    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