ARUK3003902
General
Type : Fragment inhibitor of Notum,Triazol,Pyridazine,Sulfur Compound
Chemical_Nomenclature : 6-(2-chlorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one\; 6-(2-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Canonical SMILES : c1ccc(c(c1)SC2=NN3C(=NNC3=O)C=C2)Cl
InChI : InChI=1S\/C11H7ClN4OS\/c12-7-3-1-2-4-8(7)18-10-6-5-9-13-14-11(17)16(9)15-10\/h1-6H,(H,14,17)
InChIKey : IOETYCRGZYHINY-UHFFFAOYSA-N
Other name(s) : SSQ,6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
MW : 278.72
Formula : C11H7ClN4OS
CAS_number :
PubChem :
UniChem : IOETYCRGZYHINY-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ARUK3003902 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B3G Human Notum in complex with ARUK3003902
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 |