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Inhibitor Report for: ARUK3002697

General
Type Fragment inhibitor of Notum, Triazol, Pyridazine, Sulfur Compound
Chemical_Nomenclature 6-(4-methylphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Canonical SMILES CC1=CC=C(C=C1)SC2=NN3C(=NNC3=O)C=C2
InChI InChI=1S/C12H10N4OS/c1-8-2-4-9(5-3-8)18-11-7-6-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)
InChIKey SVJSYMYGSKESLF-UHFFFAOYSA-N
Other name(s) SWT ; ZINC33268218 ; MCULE-2527470395 ; 6-[(4-methylphenyl)thio][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
________________________________________________________________________________________________
MW|258.30
Formula|C12H10N4OS
CAS_number|
PubChem|50743655
UniChem|SVJSYMYGSKESLF-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | ARUK3002697 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7B4X: Human Notum in complex with ARUK3002697
Protein | human-NOTUM

References:
Search PubMed for references concerning: ARUK3002697
    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