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Inhibitor Report for: Fragment-828

Not inhibitor of Notum. Compound 47 Fragment 828


General
Type Fragment inhibitor of Notum, Urea derivative
Chemical_Nomenclature 1-(4-methoxyphenyl)-3-pyridin-4-ylurea
Canonical SMILES COC1=CC=C(C=C1)NC(=O)NC2=CC=NC=C2
InChI InChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17)
InChIKey IFKGCTGEAFOLOL-UHFFFAOYSA-N
Other name(s) JHJ ; Fragment 828 ; N-(4-methoxyphenyl)-N'-pyridin-4-ylurea ; Oprea1_201955 ; CHEMBL274733
________________________________________________________________________________________________
MW|243.26
Formula|C13H13N3O2
CAS_number|
PubChem|694486
UniChem|IFKGCTGEAFOLOL-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-828 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7BD4: Structure of the human Wnt deacylase Notum in complex with fragment 828
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-828
    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