Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: Fragment-634

Not inhibitor of Notum. Compound 31 Fragment 634 IC50 120+/-30 microM


General
Type Fragment inhibitor of Notum, Cyanide, Piperidine
Chemical_Nomenclature 1-acetylpiperidine-4-carbonitrile
Canonical SMILES CC(=O)N1CCC(CC1)C#N
InChI InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3
InChIKey NFDGRMQIOHRQHF-UHFFFAOYSA-N
Other name(s) Fragment 634 ; Compound 31 ; S1V ; 1-acetyl-4-cyanopiperidine ; 1-ethanoylpiperidine-4-carbonitrile
________________________________________________________________________________________________
MW|152.19
Formula|C8H12N2O
CAS_number|25503-91-7
PubChem|2756286
UniChem|NFDGRMQIOHRQHF-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-634 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7BA1: Structure of the human Wnt deacylase Notum in complex with fragment 634
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-634
    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