ARUK3003909
General
Type : Fragment inhibitor of Notum, Triazol, Trifluoro, Pyridazine, Sulfur Compound
Chemical_Nomenclature : 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one\; 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Canonical SMILES : c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F
InChI : InChI=1S\/C12H7F3N4O2S\/c13-12(14,15)21-7-2-1-3-8(6-7)22-10-5-4-9-16-17-11(20)19(9)18-10\/h1-6H,(H,17,20)
InChIKey : SFULZVNQBHXFMN-UHFFFAOYSA-N
Other name(s) : SSW || 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
MW : 328.27
Formula : C12H7F3N4O2S
CAS_number :
PubChem : 162368324
UniChem : SFULZVNQBHXFMN-UHFFFAOYSA-N
Target
Families : ARUK3003909 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B3H
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 |