OWW-6YL4
Dual inhibitor of Soluble Epoxide Hydrolase and 5-Lipoxygenase
General
Type : Trifluoro,Multitarget,5-Lipoxygenase inhibitor
Chemical_Nomenclature : 3-[(3R)-3-[carbamoyl(hydroxy)amino]but-1-ynyl]-N-[(3S)-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propyl]benzamide
Canonical SMILES : CC(C#CC1=CC(=CC=C1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=C(C=C3)OC(F)(F)F)N(C(=O)N)O
InChI : InChI=1S\/C28H26F3N3O4\/c1-19(34(37)27(32)36)10-11-20-6-5-9-23(18-20)26(35)33-17-16-25(21-7-3-2-4-8-21)22-12-14-24(15-13-22)38-28(29,30)31\/h2-9,12-15,18-19,25,37H,16-17H2,1H3,(H2,32,36)(H,33,35)\/t19-,25+\/m1\/s1
InChIKey : HQXPQGGUDYBGKG-CLOONOSVSA-N
Other name(s) : OWW
MW : 525.5
Formula : C28H26F3N3O4
CAS_number :
PubChem : 154702644
UniChem : HQXPQGGUDYBGKG-CLOONOSVSA-N
IUPHAR :
Wikipedia :
Target
Families : OWW-6YL4 ligand of proteins in family: Epoxide_hydrolase
Stucture : 6YL4 Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide
Protein : human-EPHX2
References (1)
| Title : Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase - Hiesinger_2020_J.Med.Chem_63_11498 |
| Author(s) : Hiesinger K , Kramer JS , Beyer S , Eckes T , Brunst S , Flauaus C , Wittmann SK , Weizel L , Kaiser A , Kretschmer SBM , George S , Angioni C , Heering J , Geisslinger G , Schubert-Zsilavecz M , Schmidtko A , Pogoryelov D , Pfeilschifter J , Hofmann B , Steinhilber D , Schwalm S , Proschak E |
| Ref : Journal of Medicinal Chemistry , 63 :11498 , 2020 |
| Abstract : Hiesinger_2020_J.Med.Chem_63_11498 |
| ESTHER : Hiesinger_2020_J.Med.Chem_63_11498 |
| PubMedSearch : Hiesinger_2020_J.Med.Chem_63_11498 |
| PubMedID: 33044073 |
| Gene_locus related to this paper: human-EPHX2 |