Epoxykinin
General
Type : Cycloheptyl
Chemical_Nomenclature : 2-[5-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-cycloheptylacetamide
Canonical SMILES : C1CCCC(CC1)NC(=O)CN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F
InChI : InChI=1S\/C19H20BrF3N2O2\/c20-12-7-8-16-14(9-12)15(18(27)19(21,22)23)10-25(16)11-17(26)24-13-5-3-1-2-4-6-13\/h7-10,13H,1-6,11H2,(H,24,26)
InChIKey : LJWGWJLCHFYATI-UHFFFAOYSA-N
Other name(s) : XDZ || AKOS001696004 || 2-[5-Bromo-3-(2,2,2-trifluoroacetyl)-1H-indol-1-YL]-N-cycloheptylacetamide
MW : 445.3
Formula : C19H20BrF3N2O2
CAS_number :
PubChem : 46500462
UniChem : LJWGWJLCHFYATI-UHFFFAOYSA-N
Target
Families : Epoxykinin ligand of proteins in family
Epoxide_hydrolase
Structure :
8QZD
Protein :
human-EPHX2
References (1)
| Title : Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator - Dotsch_2024_J.Med.Chem__ |
| Author(s) : Dotsch L , Davies C , Hennes E , Schonfeld J , Kumar A , Guita C , Ehrler JHM , Hiesinger K , Thavam S , Janning P , Sievers S , Knapp S , Proschak E , Ziegler S , Waldmann H |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Dotsch_2024_J.Med.Chem__ |
| PubMedID: 38470246 |
| Gene_locus related to this paper: human-EPHX2 |