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Inhibitor Report for: Fragment-067

Not inhibitor of Notum Compound 5 Fragment 067 IC50 480+/-82 microM


General
Type Fragment inhibitor of Notum, Pyrimidine, Pyrazole
Chemical_Nomenclature 2-[4-(1H-pyrazol-5-yl)phenoxy]pyrimidine
Canonical SMILES C1=CN=C(N=C1)OC2=CC=C(C=C2)C3=CC=NN3
InChI InChI=1S/C13H10N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-9H,(H,16,17)
InChIKey DUEUESIXAVJTRZ-UHFFFAOYSA-N
Other name(s) Fragment 067 ; Compound 5 ; AW7 ; 2-[4-(1H-Pyrazol-3-Yl)Phenoxy]Pyrimidine ; 2-(4-(1H-Pyrazol-3-yl)phenoxy)pyrimidine ; 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine ; SCHEMBL14027249 ; ZINC170266
________________________________________________________________________________________________
MW|238.24
Formula|C13H10N4O
CAS_number|321998-82-7
PubChem|2764389
UniChem|DUEUESIXAVJTRZ-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-067 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7B86: Structure of the human Wnt deacylase Notum in complex with fragment 067
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-067
    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