ARUK3004558
General
Type : Fragment inhibitor of Notum, Indole, Organochlorine
Chemical_Nomenclature : 1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone
Canonical SMILES : CC(=O)N1CCc2c1ccc(c2Cl)Cl
InChI : InChI=1S\/C10H9Cl2NO\/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12\/h2-3H,4-5H2,1H3
InChIKey : FSLARAPYXMNEFP-UHFFFAOYSA-N
Other name(s) : RIQ || Compound 4w
MW : 230.09
Formula : C10H9Cl2NO
CAS_number :
PubChem : 166001321
UniChem : FSLARAPYXMNEFP-UHFFFAOYSA-N
Target
Families : ARUK3004558 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
8BTC
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 |