Fragment-934
Not inhibitor of Notum. Compound 57 Fragment 934 IC50 260+/-51 microM
General
Type : Fragment inhibitor of Notum,Benzimidazole
Chemical_Nomenclature : N-(1-ethylbenzimidazol-2-yl)acetamide
Canonical SMILES : CCN1C2=CC=CC=C2N=C1NC(=O)C
InChI : InChI=1S\/C11H13N3O\/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15\/h4-7H,3H2,1-2H3,(H,12,13,15)
InChIKey : CTAOPYAHPUKQBH-UHFFFAOYSA-N
Other name(s) : Fragment 934,Compound 57,TEK,N-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetamide,N-(1-Ethyl-1H-benzoimidazol-2-yl)-acetamide,MLS000528067,CHEMBL1572228,ZINC845899
MW : 203.24
Formula : C11H13N3O
CAS_number : 333771-27-0
PubChem : 1111771
UniChem : CTAOPYAHPUKQBH-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-934 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BDG Structure of the human Wnt deacylase Notum in complex with fragment 934
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 : 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 |