Fragment-193
Not inhibitor of Notum. Compound 17 Fragment 193 IC50 34+/-5.7 microM
General
Type : Fragment inhibitor of Notum, Pyrazole
Chemical_Nomenclature : 5-methoxy-2-(1H-pyrazol-5-yl)phenol
Canonical SMILES : COC1=CC(=C(C=C1)C2=CC=NN2)O
InChI : InChI=1S\/C10H10N2O2\/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9\/h2-6,13H,1H3,(H,11,12)
InChIKey : KCSNRNYLTIFFOZ-UHFFFAOYSA-N
Other name(s) : Fragment 193 || Compound 17 || GQM || 5-methoxy-2-(1H-pyrazol-3-yl)phenol || 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol || SCHEMBL14341940 || ZINC187296 || OYAPEL02
MW : 190.20
Formula : C10H10N2O2
CAS_number : 312310-33-1
PubChem : 745280
UniChem : KCSNRNYLTIFFOZ-UHFFFAOYSA-N
Target
Families : Fragment-193 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B8M
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 |