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Inhibitor Report for: Fragment-722

Not inhibitor of Notum. Compound 39 Fragment 722 IC50 >1000 microM


General
Type Fragment inhibitor of Notum, Pyrrolidine
Chemical_Nomenclature 2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid
Canonical SMILES C1CC(=O)N(C1=O)C2=CC=C(C=C2)OCC(=O)O
InChI InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)
InChIKey DVXARNQLROBEQU-UHFFFAOYSA-N
Other name(s) T9W ; 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid ; 2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate ; Oprea1_329988 ; SCHEMBL5131096 ; ZINC34208 ; CCG-25895 ; STK662636 ; Fragment 722 ; Compound 39
________________________________________________________________________________________________
MW|248.21
Formula|C12H10NO5-
CAS_number|
PubChem|5190948, 672435
UniChem|DVXARNQLROBEQU-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-722 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7BCF: Structure of the Wnt deacylase Notum in complex with fragment 722
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-722
    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