Fragment-927
Not inhibitor of Notum. Compound 56 Fragment 927 IC50 >100 microM
General
Type : Fragment inhibitor of Notum,Piperazine
Chemical_Nomenclature : 4-(2-phenoxyacetyl)piperazin-2-one
Canonical SMILES : C1CN(CC(=O)N1)C(=O)COC2=CC=CC=C2
InChI : InChI=1S\/C12H14N2O3\/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10\/h1-5H,6-9H2,(H,13,15)
InChIKey : VQOCCTAPSDVOOO-UHFFFAOYSA-N
Other name(s) : Fragment 927,Compound 56,TEH,4-(phenoxyacetyl)-2-piperazinone,4-(2-phenoxyethanoyl)piperazin-2-one,MLS000103401,CHEMBL1468944,ZINC359136
MW : 234.25
Formula : C12H14N2O3
CAS_number : 587850-66-6
PubChem : 833616
UniChem : VQOCCTAPSDVOOO-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-927 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BDF Structure of the human Wnt deacylase Notum in complex with fragment 927
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 |