Fragment-074
Not inhibitor of Notum Compound 6 Fragment 074 IC50 260+/-120 microM
General
Type : Fragment inhibitor of Notum, Benzoate
Chemical_Nomenclature : methyl 2-(4-aminophenoxy)benzoate
Canonical SMILES : COC(=O)C1=CC=CC=C1OC2=CC=C(C=C2)N
InChI : InChI=1S\/C14H13NO3\/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11\/h2-9H,15H2,1H3
InChIKey : FXHKMQZPYDWTCS-UHFFFAOYSA-N
Other name(s) : Fragment 074 || Compound 6 || JFV || methyl 2-(4-aminophenoxy)benzenecarboxylate || 2-(4-Amino-phenoxy)-benzoic acid methyl ester || SCHEMBL14334681 || ZINC168899
MW : 243.26
Formula : C14H13NO3
CAS_number : 212189-58-7
PubChem : 2763848
UniChem : FXHKMQZPYDWTCS-UHFFFAOYSA-N
Target
Families : Fragment-074 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B87
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 |