62-mEH
low nanomolar IC50 2.2 nM
General
Type : Sulfur Compound,Trifluoro
Chemical_Nomenclature : 2-((3,5-bis(trifluoromethyl)benzyl)thio)-2-cyclopentylacetamide
Canonical SMILES : C1(=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)CSC(C(=O)N)C2CCCC2
InChI : InChI=1S\/C16H17F6NOS\/c17-15(18,19)11-5-9(6-12(7-11)16(20,21)22)8-25-13(14(23)24)10-3-1-2-4-10\/h5-7,10,13H,1-4,8H2,(H2,23,24)
InChIKey : HFFWMFZWOVDMTI-UHFFFAOYSA-N
Other name(s) :
MW : 385.36
Formula : C16H17F6NOS
CAS_number :
PubChem :
UniChem : HFFWMFZWOVDMTI-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 62-mEH ligand of proteins in family: Epoxide_hydrolase
Stucture :
Protein : mouse-EPHX1 || human-EPHX1
References (1)
| Title : Development of potent inhibitors of the human microsomal epoxide hydrolase - Barnych_2020_Eur.J.Med.Chem_193_112206 |
| Author(s) : Barnych B , Singh N , Negrel S , Zhang Y , Magis D , Roux C , Hua X , Ding Z , Morisseau C , Tantillo DJ , Siegel JB , Hammock BD |
| Ref : Eur Journal of Medicinal Chemistry , 193 :112206 , 2020 |
| Abstract : Barnych_2020_Eur.J.Med.Chem_193_112206 |
| ESTHER : Barnych_2020_Eur.J.Med.Chem_193_112206 |
| PubMedSearch : Barnych_2020_Eur.J.Med.Chem_193_112206 |
| PubMedID: 32203787 |
| Gene_locus related to this paper: human-EPHX1 , mouse-EPHX1 |