CHEMBL4649188
sEH IC50 0.317 +/- 0.08 microM LTA4-hydrolase IC50 0.57 +/-0.08 microM
General
Type : LTA4-hydrolase-inhibitor, Multitarget, Trifluoro, Oxazole
Chemical_Nomenclature : 3-(4-phenylmethoxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]propanamide
Canonical SMILES : C1=CC=C(C=C1)COC2=CC=C(C=C2)CCC(=O)NC3=NC(=CO3)C(F)(F)F
InChI : InChI=1S\/C20H17F3N2O3\/c21-20(22,23)17-13-28-19(24-17)25-18(26)11-8-14-6-9-16(10-7-14)27-12-15-4-2-1-3-5-15\/h1-7,9-10,13H,8,11-12H2,(H,24,25,26)
InChIKey : FAYKWAQYWCIDKM-UHFFFAOYSA-N
Other name(s) : BDBM50541959 || Compound 4k
MW : 390.4
Formula : C20H17F3N2O3
CAS_number :
PubChem : 156020089
UniChem : FAYKWAQYWCIDKM-UHFFFAOYSA-N
Target
Families : CHEMBL4649188 ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (3)
| Title : Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase - Hefke_2020_ACS.Med.Chem.Lett_11_1244 |
| Author(s) : Hefke L , Hiesinger K , Zhu WF , Kramer JS , Proschak E |
| Ref : ACS Med Chem Lett , 11 :1244 , 2020 |
| Abstract : |
| PubMedSearch : Hefke_2020_ACS.Med.Chem.Lett_11_1244 |
| PubMedID: 32551007 |
| Title : Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase - Hefke_2020_ACS.Med.Chem.Lett_11_1244 |
| Author(s) : Hefke L , Hiesinger K , Zhu WF , Kramer JS , Proschak E |
| Ref : ACS Med Chem Lett , 11 :1244 , 2020 |
| Abstract : |
| PubMedSearch : Hefke_2020_ACS.Med.Chem.Lett_11_1244 |
| PubMedID: 32551007 |
| Title : Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase - Hefke_2020_ACS.Med.Chem.Lett_11_1244 |
| Author(s) : Hefke L , Hiesinger K , Zhu WF , Kramer JS , Proschak E |
| Ref : ACS Med Chem Lett , 11 :1244 , 2020 |
| Abstract : |
| PubMedSearch : Hefke_2020_ACS.Med.Chem.Lett_11_1244 |
| PubMedID: 32551007 |