Fragment-690
Not inhibitor of Notum. Compound 35 Fragment 690 IC50 120+/-24 microM
General
Type : Fragment inhibitor of Notum,Sulfur Compound
Chemical_Nomenclature : 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Canonical SMILES : COCC(=O)NC1=NC(=CS1)C2=CC=CC=C2
InChI : InChI=1S\/C12H12N2O2S\/c1-16-7-11(15)14-12-13-10(8-17-12)9-5-3-2-4-6-9\/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKey : ZSDPCJILFHMGQO-UHFFFAOYSA-N
Other name(s) : Fragment 690,Compound 35,UR4,2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide,Cambridge id 6806687,Oprea1_246966,SCHEMBL10429605,ZINC355189
MW : 248.30
Formula : C12H12N2O2S
CAS_number : 132214-37-0
PubChem : 831456
UniChem : ZSDPCJILFHMGQO-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-690 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BC9 Structure of the human Wnt deacylase Notum in complex with fragment 690
Protein : human-NOTUM
References (1)
| Title : Structural Analysis and Development of Notum Fragment Screening Hits - Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| Author(s) : Zhao Y , Mahy W , Willis NJ , Woodward HL , Steadman D , Bayle ED , Atkinson BN , Sipthorp J , Vecchia L , Ruza RR , Harlos K , Jeganathan F , Constantinou S , Costa A , Kjaer S , Bictash M , Salinas PC , Whiting P , Vincent JP , Fish PV , Jones EY |
| Ref : ACS Chem Neurosci , 13 :2060 , 2022 |
| Abstract : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| ESTHER : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |