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Inhibitor Report for: Fragment-201

Not inhibitor of Notum. Compound 20 Fragment 201 IC50 110+/-21 microM


General
Type Fragment inhibitor of Notum, Piperidine, Oxadiazol
Chemical_Nomenclature 4-piperidin-1-yl-1,2,5-oxadiazol-3-amine
Canonical SMILES C1CCN(CC1)C2=NON=C2N
InChI InChI=1S/C7H12N4O/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2,(H2,8,9)
InChIKey RVSIGDHRHURXCQ-UHFFFAOYSA-N
Other name(s) Fragment 201 ; Compound 20 ; RUY ; 4-Piperidin-1-yl-furazan-3-ylamine ; MLS000035855 ; SMR000010206 ; 4-(Piperidin-1-yl)-1,2,5-oxadiazol-3-amine ; Oprea1_005762 ; Oprea1_317067 ; CHEMBL1330631 ; ZINC322796
________________________________________________________________________________________________
MW|168.20
Formula|C7H12N4O
CAS_number|
PubChem|653935
UniChem|RVSIGDHRHURXCQ-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-201 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7B8U: Structure of the human Wnt deacylase Notum in complex with fragment 201
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-201
    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