CHEMBL4539054
compound 13 in Zhao et al. 2021 and compound 40c in Zhao et al 2022 IC50 32 nM
General
Type : Indazole
Chemical_Nomenclature : 2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide
Canonical SMILES : CC1=CC=CC=C1OCC(=O)NC2=CC3=NN(C=C3C=C2)C(C)C
InChI : InChI=1S\/C19H21N3O2\/c1-13(2)22-11-15-8-9-16(10-17(15)21-22)20-19(23)12-24-18-7-5-4-6-14(18)3\/h4-11,13H,12H2,1-3H3,(H,20,23)
InChIKey : NQFZYDJFQTYCQO-UHFFFAOYSA-N
Other name(s) : Compound 13,compound 40c
MW : 323.4
Formula : C19H21N3O2
CAS_number :
PubChem : 155549666
UniChem : NQFZYDJFQTYCQO-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL4539054 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture :
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 : 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 |
| 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 : Zhao_2021_Future.Med.Chem__ |
| ESTHER : Zhao_2021_Future.Med.Chem__ |
| 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 : Atkinson_2019_Medchemcomm_10_1361 |
| ESTHER : Atkinson_2019_Medchemcomm_10_1361 |
| PubMedSearch : Atkinson_2019_Medchemcomm_10_1361 |
| PubMedID: 31534655 |
| Gene_locus related to this paper: human-NOTUM |