Fragment-830
Not inhibitor of Notum. Compound 48 Fragment 830 IC50 >1000 microM
General
Type : Fragment inhibitor of Notum
Chemical_Nomenclature : 2-(4-ethoxyphenyl)acetic acid
Canonical SMILES : CCOC1=CC=C(C=C1)CC(=O)O
InChI : InChI=1S\/C10H12O3\/c1-2-13-9-5-3-8(4-6-9)7-10(11)12\/h3-6H,2,7H2,1H3,(H,11,12)
InChIKey : ZVVWZNFSMIFGEP-UHFFFAOYSA-N
Other name(s) : YI6,Fragment 830,Compound 48,2-(4-ethoxyphenyl)acetic acid,Benzeneacetic acid, 4-ethoxy-,(4-ethoxyphenyl)acetic acid,SCHEMBL503308
MW : 180.20
Formula : C10H12O3
CAS_number : 4919-33-9
PubChem : 78631
UniChem : ZVVWZNFSMIFGEP-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-830 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BD5 Structure of the human Wnt deacylase Notum in complex with fragment 830
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 |