Fragment-174
Not inhibitor of Notum. Compound 16 Fragment 174 IC50 3.3+/-0.4 microM
General
Type : Fragment inhibitor of Notum,Pyrazole
Chemical_Nomenclature : 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol
Canonical SMILES : C1=C(NN=C1)C2=C(C(=CC(=C2)F)F)O
InChI : InChI=1S\/C9H6F2N2O\/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5\/h1-4,14H,(H,12,13)
InChIKey : JUXBDWQXPZSIML-UHFFFAOYSA-N
Other name(s) : Fragment 174,Compound 16,AY4,2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol,Phenol, 2,4-difluoro-6-(1H-pyrazol-3-yl)-,SCHEMBL1528425,SCHEMBL23451813,ZINC140092
MW : 196.15
Formula : C9H6F2N2O
CAS_number : 663179-74-6
PubChem : 2804885
UniChem : JUXBDWQXPZSIML-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-174 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B8L Structure of the human Wnt deacylase Notum in complex with fragment 174
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 |