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Inhibitor Report for: Fragment-791

Not inhibitor of Notum. Compound 43 Fragment 791 IC50 87+/-54.7 microM


General
Type Fragment inhibitor of Notum, Carboxamide
Chemical_Nomenclature (2S)-N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide
Canonical SMILES COC1=CC=C(C=C1)CNC(=O)C2CCCO2
InChI InChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKey VUHXHMGNBINEHD-LBPRGKRZSA-N
Other name(s) Fragment 791 ; Compound 43 ; (2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide ; ZINC476532 ; (2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide ; T9B
________________________________________________________________________________________________
MW|235.28
Formula|C13H17NO3
CAS_number|
PubChem|898585
UniChem|VUHXHMGNBINEHD-LBPRGKRZSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-791 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7BCK: Structure of the Wnt deacylase Notum in complex with fragment 791
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-791
    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