Fragment-722
Not inhibitor of Notum. Compound 39 Fragment 722 IC50 >1000 microM
General
Type : Fragment inhibitor of Notum,Pyrrolidine
Chemical_Nomenclature : 2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid
Canonical SMILES : C1CC(=O)N(C1=O)C2=CC=C(C=C2)OCC(=O)O
InChI : InChI=1S\/C12H11NO5\/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17\/h1-4H,5-7H2,(H,16,17)
InChIKey : DVXARNQLROBEQU-UHFFFAOYSA-N
Other name(s) : T9W,2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid,2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate,Oprea1_329988,SCHEMBL5131096,ZINC34208,CCG-25895,STK662636,Fragment 722,compound 39
MW : 248.21 || 249.22
Formula : C12H10NO5- || C12H11NO5
CAS_number :
UniChem : DVXARNQLROBEQU-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-722 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BCF Structure of the human Wnt deacylase Notum in complex with fragment 722
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 |