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Inhibitor Report for: Fragment-872

Not inhibitor of Notum. Compound 50 Fragment 872 IC50 36+/-2.7 microM


General
Type Fragment inhibitor of Notum, Pyridine
Chemical_Nomenclature (2,5-dimethylphenyl) pyridine-4-carboxylate
Canonical SMILES CC1=CC(=C(C=C1)C)OC(=O)C2=CC=NC=C2
InChI InChI=1S/C14H13NO2/c1-10-3-4-11(2)13(9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3
InChIKey MMVMRVVLUMIUAF-UHFFFAOYSA-N
Other name(s) (2,5-dimethylphenyl) pyridine-4-carboxylate ; MLS000550524 ; QL5 ; Fragment 872 ; Compound 50 ; CHEMBL1456302
________________________________________________________________________________________________
MW|227.26
Formula|C14H13NO2
CAS_number|
PubChem|821673
UniChem|MMVMRVVLUMIUAF-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-872 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7BD8: Structure of the human Wnt deacylase Notum in complex with fragment 872
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-872
    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