Fragment-828
Not inhibitor of Notum. Compound 47 Fragment 828
General
Type : Fragment inhibitor of Notum,Urea derivative
Chemical_Nomenclature : 1-(4-methoxyphenyl)-3-pyridin-4-ylurea
Canonical SMILES : COC1=CC=C(C=C1)NC(=O)NC2=CC=NC=C2
InChI : InChI=1S\/C13H13N3O2\/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11\/h2-9H,1H3,(H2,14,15,16,17)
InChIKey : IFKGCTGEAFOLOL-UHFFFAOYSA-N
Other name(s) : JHJ,Fragment 828,N-(4-methoxyphenyl)-N'-pyridin-4-ylurea,Oprea1_201955,CHEMBL274733
MW : 243.26
Formula : C13H13N3O2
CAS_number :
PubChem : 694486
UniChem : IFKGCTGEAFOLOL-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-828 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BD4 Structure of the human Wnt deacylase Notum in complex with fragment 828
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 |