Felbinac
Not inhibitor of Notum. Compound 14 Fragment 163 IC50 58+/-8.2 microM. An active metabolite of fenbufen, it is used as a topical medicine to treat muscle inflammation and arthritis. Prostaglandin D2 receptor DP2 antagonists. Nonsteroidal anti-inflammatory drug (NSAID). Due to liver toxicity, it was withdrawn from markets.
General
Type : Fragment inhibitor of Notum, Drug, Not AlphaBeta Hydrolase target
Chemical_Nomenclature : 2-(4-phenylphenyl)acetic acid
Canonical SMILES : C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
InChI : InChI=1S\/C14H12O2\/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12\/h1-9H,10H2,(H,15,16)
InChIKey : QRZAKQDHEVVFRX-UHFFFAOYSA-N
Other name(s) : Fragment 163 || Fragment-163 || Compound 14 || BP4 || 4-Biphenylylacetic acid || Traxam || CHEBI:31597 || Oprea1_058748 || SCHEMBL26084 || CHEMBL413965 || ZINC2318 || DB07477
MW : 212.24
Formula : C14H12O2
CAS_number : 5728-52-9
PubChem : 3332
UniChem : QRZAKQDHEVVFRX-UHFFFAOYSA-N
Target
Families : Felbinac ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B8J
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 |