Fragment-067
Not inhibitor of Notum Compound 5 Fragment 067 IC50 480+/-82 microM
General
Type : Fragment inhibitor of Notum, Pyrimidine, Pyrazole
Chemical_Nomenclature : 2-[4-(1H-pyrazol-5-yl)phenoxy]pyrimidine
Canonical SMILES : C1=CN=C(N=C1)OC2=CC=C(C=C2)C3=CC=NN3
InChI : InChI=1S\/C13H10N4O\/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12\/h1-9H,(H,16,17)
InChIKey : DUEUESIXAVJTRZ-UHFFFAOYSA-N
Other name(s) : Fragment 067 || Compound 5 || AW7 || 2-[4-(1H-Pyrazol-3-Yl)Phenoxy]Pyrimidine || 2-(4-(1H-Pyrazol-3-yl)phenoxy)pyrimidine || 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine || SCHEMBL14027249 || ZINC170266
MW : 238.24
Formula : C13H10N4O
CAS_number : 321998-82-7
PubChem : 2764389
UniChem : DUEUESIXAVJTRZ-UHFFFAOYSA-N
Target
Families : Fragment-067 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B86
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 : |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |