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Inhibitor Report for: Fragment-297

Not inhibitor of Notum. Compound 28 Fragment 297 IC50 54+/-6.2 microM


General
Type Fragment inhibitor of Notum, Benzodioxo, Pyridine
Chemical_Nomenclature 1-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
Canonical SMILES C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC=N3
InChI InChI=1S/C14H14N2O2/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,15H,8-10H2
InChIKey KZQVJMBMNZMAGV-UHFFFAOYSA-N
Other name(s) Fragment 297 ; Compound 28 ; T3T ; Benzo[1,3]dioxol-5-ylmethyl-pyridin-2-ylmethyl-amine ; 1-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)methanamine ; 1-(Benzo[d][1,3]dioxol-5-yl)-N-(pyridin-2-ylmethyl)methanamine ; 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine ; CHEMBL1340204 ; ZINC795103
________________________________________________________________________________________________
MW|242.27
Formula|C14H14N2O2
CAS_number|626210-49-9
PubChem|1080494
UniChem|KZQVJMBMNZMAGV-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-297 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7B9I: Structure of the human Wnt deacylase Notum in complex with fragment 297
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-297
    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