ARUK3004048
General
Type : Fragment inhibitor of Notum,Indole
Chemical_Nomenclature : 1-(2,3-dihydroindol-1-yl)ethanone
Canonical SMILES : CC(=O)N1CCC2=CC=CC=C21
InChI : InChI=1S\/C10H11NO\/c1-8(12)11-7-6-9-4-2-3-5-10(9)11\/h2-5H,6-7H2,1H3
InChIKey : RNTCWULFNYNFGI-UHFFFAOYSA-N
Other name(s) : 1-Acetylindoline,1-(indolin-1-yl)ethanone,N-Acetylindoline,1-(2,3-dihydroindol-1-yl)ethanone,Compound 3a
MW : 161.2
Formula : C10H11NO
CAS_number : 16078-30-1
PubChem : 27673
UniChem : RNTCWULFNYNFGI-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ARUK3004048 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 8BT8 Structure of the human Wnt deacylase Notum in complex with ARUK3004048
Protein : human-NOTUM
References (1)
| Title : Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity - Atkinson_2023_Eur.J.Med.Chem_251_115132 |
| Author(s) : Atkinson BN , Willis NJ , Zhao Y , Patel C , Frew S , Costelloe K , Magno L , Svensson F , Jones EY , Fish PV |
| Ref : Eur Journal of Medicinal Chemistry , 251 :115132 , 2023 |
| Abstract : Atkinson_2023_Eur.J.Med.Chem_251_115132 |
| ESTHER : Atkinson_2023_Eur.J.Med.Chem_251_115132 |
| PubMedSearch : Atkinson_2023_Eur.J.Med.Chem_251_115132 |
| PubMedID: 36934521 |
| Gene_locus related to this paper: human-NOTUM |