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Inhibitor Report for: Fragment-705

Not inhibitor of Notum. Compound 36 Fragment 705 IC50 53+/-18 microM


General
Type Fragment inhibitor of Notum, Morpholine
Chemical_Nomenclature 4-(4-pyrrol-1-ylphenyl)morpholine
Canonical SMILES C1COCCN1C2=CC=C(C=C2)N3C=CC=C3
InChI InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2
InChIKey VJGOAQUQJGASLY-UHFFFAOYSA-N
Other name(s) TB5 ; Fragment 705 ; Compound 36 ; MLS000528033 ; 4-(4-Pyrrol-1-yl-phenyl)-morpholine ; 4-[4-(1H-pyrrol-1-yl)phenyl]morpholine ; SMR000120607
________________________________________________________________________________________________
MW|228.29
Formula|C14H16N2O
CAS_number|
PubChem|882019
UniChem|VJGOAQUQJGASLY-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-705 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7BCC: Structure of the Wnt deacylase Notum in complex with fragment 705
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-705
    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