Fragment-863
Not inhibitor of Notum. Compound 49 Fragment 863 IC50 550+/-93 microM
General
Type : Fragment inhibitor of Notum,Pyrazole
Chemical_Nomenclature : 3-anilino-2-methyl-1H-pyrazol-5-one
Canonical SMILES : CN1C(=CC(=O)N1)NC2=CC=CC=C2
InChI : InChI=1S\/C10H11N3O\/c1-13-9(7-10(14)12-13)11-8-5-3-2-4-6-8\/h2-7,11H,1H3,(H,12,14)
InChIKey : JAPKWXYUAJYHCE-UHFFFAOYSA-N
Other name(s) : Fragment 863,Compound 49,JH7,1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one,1-Methyl-5-(phenylamino)-1H-pyrazol-3-ol,Maybridge1_004144
MW : 189.21
Formula : C10H11N3O
CAS_number : 1005952-86-2
PubChem : 2818508
UniChem : JAPKWXYUAJYHCE-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-863 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BD6 Structure of the human Wnt deacylase Notum in complex with fragment 863
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 |