ARUK3004876
General
Type : Fragment inhibitor of Notum, Indole, Trifluoro
Chemical_Nomenclature : 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
Canonical SMILES : CC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl
InChI : InChI=1S\/C11H9ClF3NO\/c1-6(17)16-5-4-7-9(16)3-2-8(12)10(7)11(13,14)15\/h2-3H,4-5H2,1H3
InChIKey : OCTQANMBVHBRLQ-UHFFFAOYSA-N
Other name(s) : RG0 || Compound 4v
MW : 263.64
Formula : C11H9ClF3NO
CAS_number :
PubChem : 166001318
UniChem : OCTQANMBVHBRLQ-UHFFFAOYSA-N
Target
Families : ARUK3004876 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
8BT2
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 : |
| PubMedSearch : Atkinson_2023_Eur.J.Med.Chem_251_115132 |
| PubMedID: 36934521 |
| Gene_locus related to this paper: human-NOTUM |