Fragment-290
Not inhibitor of Notum. Compound 27 Fragment 290 IC50 >1000 microM. 4-Acetaminophenoxyacetic acid, urinary metabolite of phenacetin
General
Type : Fragment inhibitor of Notum, Acetanilide
Chemical_Nomenclature : 2-(4-acetamidophenoxy)acetic acid
Canonical SMILES : CC(=O)NC1=CC=C(C=C1)OCC(=O)O
InChI : InChI=1S\/C10H11NO4\/c1-7(12)11-8-2-4-9(5-3-8)15-6-10(13)14\/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKey : LYJCGBYEVXKOST-UHFFFAOYSA-N
Other name(s) : Fragment 290 || Compound 27 || T3N || (4-acetamidophenoxy)acetic acid || 4-Acetaminophenoxyacetic acid || [4-(acetylamino)phenoxy]acetic acid || Oprea1_042381 || SCHEMBL839926 || ZINC93096 || 2-(4-acetamidophenoxy)ethanoic acid
MW : 209.20
Formula : C10H11NO4
CAS_number : 39149-13-8
PubChem : 101437
UniChem : LYJCGBYEVXKOST-UHFFFAOYSA-N
Target
Families : Fragment-290 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B9D
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 |