Fragment-924
Not inhibitor of Notum. Compound 55 Fragment 924 IC50 200+/-76 microM
General
Type : Fragment inhibitor of Notum
Chemical_Nomenclature : (2R)-2-(4-phenylphenoxy)propanoic acid
Canonical SMILES : CC(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC=C2
InChI : InChI=1S\/C15H14O3\/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12\/h2-11H,1H3,(H,16,17)\/t11-\/m1\/s1
InChIKey : FUPGQEMJIGUBGO-LLVKDONJSA-N
Other name(s) : Fragment 924,Compound 55,TE8,(2~{R})-2-(4-phenylphenoxy)propanoic acid,SCHEMBL7978298,ZINC241544,(R)-2-[(Biphenyl-4-yl)oxy]propanoic acid
MW : 242.27
Formula : C15H14O3
CAS_number :
PubChem : 765737
UniChem : FUPGQEMJIGUBGO-LLVKDONJSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-924 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BDD Structure of the human Wnt deacylase Notum in complex with fragment 924
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 |