Fragment-283
Not inhibitor of Notum. Compound 25 Fragment 283 IC50 86+/-21 microM
General
Type : Fragment inhibitor of Notum
Chemical_Nomenclature : N-(4-anilinophenyl)acetamide
Canonical SMILES : CC(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI : InChI=1S\/C14H14N2O\/c1-11(17)15-13-7-9-14(10-8-13)16-12-5-3-2-4-6-12\/h2-10,16H,1H3,(H,15,17)
InChIKey : QAIADKFUCPEVKW-UHFFFAOYSA-N
Other name(s) : Fragment 283 || Compound 25 || B1A || N-[4-(phenylamino)phenyl]acetamide || N-(4-anilinophenyl)acetamide || 4'-(Anilino)acetoanilide || 4-acetamido-N-phenylaniline || Oprea1_324101 || Oprea1_376523 || SCHEMBL9480198 || CHEMBL1543600 || ZINC289523
MW : 226.27
Formula : C14H14N2O
CAS_number : 38674-90-7
PubChem : 789635
UniChem : QAIADKFUCPEVKW-UHFFFAOYSA-N
Target
Families : Fragment-283 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B99
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 |