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 : 7B4X Human Notum in complex with ARUK3002697
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 : Steadman_2022_J.Med.Chem_65_562 |
| ESTHER : Steadman_2022_J.Med.Chem_65_562 |
| PubMedSearch : Steadman_2022_J.Med.Chem_65_562 |
| PubMedID: 34939789 |
| Gene_locus related to this paper: human-NOTUM |