ARUK3003906
General
Type : Indole,Oxobutanoate
Chemical_Nomenclature : ethyl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
Canonical SMILES : CCOC(=O)CCC(=O)N1CCC2=CC=CC=C21
InChI : InChI=1S\/C14H17NO3\/c1-2-18-14(17)8-7-13(16)15-10-9-11-5-3-4-6-12(11)15\/h3-6H,2,7-10H2,1H3
InChIKey : YTMPPLAKDQKOFM-UHFFFAOYSA-N
Other name(s) : ARONIS006432,ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate,ethyl 4-indolinyl-4-oxobutanoate,ZINC2697813,7B2Y-compound-3,SRH
MW : 247.29
Formula : C14H17NO3
CAS_number : 330834-06-5
PubChem : 2140509
UniChem : YTMPPLAKDQKOFM-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ARUK3003906 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B2V Human Notum in complex with ARUK3003906 compound 3\; ethyl-
Protein : human-NOTUM
References (1)
| Title : Structural Insights into Notum Covalent Inhibition - Zhao_2021_J.Med.Chem_64_11354 |
| Author(s) : Zhao Y , Svensson F , Steadman D , Frew S , Monaghan A , Bictash M , Moreira T , Chalk R , Lu W , Fish PV , Jones EY |
| Ref : Journal of Medicinal Chemistry , 64 :11354 , 2021 |
| Abstract : Zhao_2021_J.Med.Chem_64_11354 |
| ESTHER : Zhao_2021_J.Med.Chem_64_11354 |
| PubMedSearch : Zhao_2021_J.Med.Chem_64_11354 |
| PubMedID: 34292747 |
| Gene_locus related to this paper: human-NOTUM |