CHEMBL5192349
IC50 mouse sEH-H IC50 = 7.71 +/- 1.17 nM, human sEH-H IC50 = 1.43 +/- 0.04 nM
General
Type : Trifluoro, Urea derivative, Oxadiazol, Carboxamide
Chemical_Nomenclature : (1R,3S)-N-(4-Methoxy-2-(trifluoromethyl)benzyl)-3-((7-nitrobenzo[c][1,2,5]-oxadiazol-4-yl)amino)cyclohexane-1-carboxamide
Canonical SMILES : COC1=CC(=C(C=C1)CNC(=O)[C@@H]2CCC[C@@H](C2)NC3=CC=C(C4=NON=C34)[N+](=O)[O-])C(F)(F)F
InChI : InChI=1S\/C22H22F3N5O5\/c1-34-15-6-5-13(16(10-15)22(23,24)25)11-26-21(31)12-3-2-4-14(9-12)27-17-7-8-18(30(32)33)20-19(17)28-35-29-20\/h5-8,10,12,14,27H,2-4,9,11H2,1H3,(H,26,31)\/t12-,14+\/m1\/s1
InChIKey : BIKRZBTWBZLWMQ-OCCSQVGLSA-N
Other name(s) : Fluorescent sEH inhibitor || sEH-IN-2 || GLXC-25884 || BDBM50594428 || Compound 2
MW : 493.400
Formula : C22H22F3N5O5
CAS_number :
PubChem : 164946834
UniChem : BIKRZBTWBZLWMQ-OCCSQVGLSA-N
Target
Families : CHEMBL5192349 ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (1)
| Title : Designing a Small Fluorescent Inhibitor to Investigate Soluble Epoxide Hydrolase Engagement in Living Cells - Brunst_2022_ACS.Med.Chem.Lett_13_1062 |
| Author(s) : Brunst S , Schonfeld J , Breunig P , Burgers LD , DeMeglio M , Ehrler JHM , Lillich FF , Weizel L , Hefendehl JK , Furst R , Proschak E , Hiesinger K |
| Ref : ACS Med Chem Lett , 13 :1062 , 2022 |
| Abstract : |
| PubMedSearch : Brunst_2022_ACS.Med.Chem.Lett_13_1062 |
| PubMedID: 35859883 |