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 : 162368326
UniChem : YMDYCZLBRZYSTF-UHFFFAOYSA-N
Target
Families : ARUK3003775 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B3P
Protein :
human-NOTUM
References (1)
| Title : Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity - Steadman_2022_J.Med.Chem_65_562 |
| Author(s) : Steadman D , Atkinson BN , Zhao Y , Willis NJ , Frew S , Monaghan A , Patel C , Armstrong E , Costelloe K , Magno L , Bictash M , Jones EY , Fish PV , Svensson F |
| Ref : Journal of Medicinal Chemistry , 65 :562 , 2022 |
| Abstract : |
| PubMedSearch : Steadman_2022_J.Med.Chem_65_562 |
| PubMedID: 34939789 |
| Gene_locus related to this paper: human-NOTUM |