Fragment-916
Not inhibitor of Notum. Compound 53 Fragment 916 IC50 > 980+/-17 microM
General
Type : Fragment inhibitor of Notum,Carboxamide
Chemical_Nomenclature : 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
Canonical SMILES : CCC1=NOC(=C1C(=O)NC2=NOC(=C2)C)C
InChI : InChI=1S\/C11H13N3O3\/c1-4-8-10(7(3)17-13-8)11(15)12-9-5-6(2)16-14-9\/h5H,4H2,1-3H3,(H,12,14,15)
InChIKey : OZMHRDLCZDDXRS-UHFFFAOYSA-N
Other name(s) : Fragment 916,Compound 53,NW7,Oprea1_745129,ZINC373530,STK431262
MW : 235.24
Formula : C11H13N3O3
CAS_number : 438224-38-5
PubChem : 842858
UniChem : OZMHRDLCZDDXRS-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-916 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BDB Structure of the human Wnt deacylase Notum in complex with fragment 916
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 |