JVB
Not a true inhibitor of Notum compound 11 in Zhao et al compound 40 Fragment-723 IC50 33000 nM
General
Type : Pyridine
Chemical_Nomenclature : 2-(2-methylphenoxy)-N-pyridin-3-ylacetamide
Canonical SMILES : CC1=CC=CC=C1OCC(=O)NC2=CN=CC=C2
InChI : InChI=1S\/C14H14N2O2\/c1-11-5-2-3-7-13(11)18-10-14(17)16-12-6-4-8-15-9-12\/h2-9H,10H2,1H3,(H,16,17)
InChIKey : MUOTYWWZYLNCGX-UHFFFAOYSA-N
Other name(s) : initial fragment hit 3 || 2-(2-methylphenoxy)-N-(pyridin-3-yl)acetamide || BAS 02906052 || AC1LF5HP || TimTec1_007771 || HMS1556B05 || ZINC191601 || STK074474 || 2-phenoxyacetamide-fragment-723 || Fragment-723 || Fragment 723 || Compound 11 || compound 40
MW : 242.27
Formula : C14H14N2O2
CAS_number : 331434-43-6
PubChem : 747195
UniChem : MUOTYWWZYLNCGX-UHFFFAOYSA-N
Target
Families : JVB ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
6R8P
Protein :
human-NOTUM
References (3)
| 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 |
| Title : Small-molecule inhibitors of carboxylesterase Notum - Zhao_2021_Future.Med.Chem__ |
| Author(s) : Zhao Y , Jolly S , Benvegnu S , Jones EY , Fish PV |
| Ref : Future Med Chem , : , 2021 |
| Abstract : |
| PubMedSearch : Zhao_2021_Future.Med.Chem__ |
| PubMedID: 33882714 |
| Gene_locus related to this paper: human-NOTUM |
| Title : Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen - Atkinson_2019_Medchemcomm_10_1361 |
| Author(s) : Atkinson BN , Steadman D , Zhao YG , Sipthorp J , Vecchia L , Ruza RR , Jeganathan F , Lines G , Frew S , Monaghan A , Kjaer S , Bictash M , Jones Y , Fish PV , Zhao Y , Jones EY |
| Ref : Medchemcomm , 10 :1361 , 2019 |
| Abstract : |
| PubMedSearch : Atkinson_2019_Medchemcomm_10_1361 |
| PubMedID: 31534655 |
| Gene_locus related to this paper: human-NOTUM |