CHEMBL3402236-49P-4Y2S
not really a good inhibitor IC50: 5.20e+4 (nM) using PHOME as substrate
General
Type : Trifluoro,Pyrazole
Chemical_Nomenclature : 1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol
Canonical SMILES : C1=CC(=CC(=C1)N2C=C(C=N2)O)C(F)(F)F
InChI : InChI=1S\/C10H7F3N2O\/c11-10(12,13)7-2-1-3-8(4-7)15-6-9(16)5-14-15\/h1-6,16H
InChIKey : SGZRMGCFXYGLQZ-UHFFFAOYSA-N
Other name(s) : 1-[3-(Trifluoromethyl)phenyl]-1H-pyrazol-4-ol,1-[3-(trifluoromethyl)phenyl]pyrazol-4-ol,CHEMBL3402236,SCHEMBL2413147,ZINC168857
MW : 228.17
Formula : C10H7F3N2O
CAS_number : 77458-38-9
PubChem : 2783031
UniChem : SGZRMGCFXYGLQZ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3402236-49P-4Y2S ligand of proteins in family: Epoxide_hydrolase
Stucture : 4Y2S Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
Protein : human-EPHX2
References (1)
| Title : Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening - Amano_2015_Bioorg.Med.Chem_23_2310 |
| Author(s) : Amano Y , Tanabe E , Yamaguchi T |
| Ref : Bioorganic & Medicinal Chemistry , : , 2015 |
| Abstract : Amano_2015_Bioorg.Med.Chem_23_2310 |
| ESTHER : Amano_2015_Bioorg.Med.Chem_23_2310 |
| PubMedSearch : Amano_2015_Bioorg.Med.Chem_23_2310 |
| PubMedID: 25862210 |
| Gene_locus related to this paper: human-EPHX2 |