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Inhibitor Report for: ARUK3003775

General
Type Fragment inhibitor of Notum, Pyridazine, Triazol, Sulfur Compound
Chemical_Nomenclature 6-(4-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Canonical SMILES c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl
InChI InChI=1S/C11H7ClN4OS/c12-7-1-3-8(4-2-7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17)
InChIKey YMDYCZLBRZYSTF-UHFFFAOYSA-N
Other name(s) SUQ ; 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
________________________________________________________________________________________________
MW|278.72
Formula|C11H7ClN4OS
CAS_number|
PubChem|
UniChem|YMDYCZLBRZYSTF-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | ARUK3003775 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7B3P: Human Notum in complex with ARUK3003775
Protein | human-NOTUM

References:
Search PubMed for references concerning: ARUK3003775
    Title: Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity
    Steadman D, Atkinson BN, Zhao Y, Willis NJ, Frew S, Monaghan A, Patel C, Armstrong E, Costelloe K and Svensson F <4 more author(s)>
    Ref: Journal of Medicinal Chemistry, 65:562, 2022 : PubMed