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Inhibitor Report for: CHEMBL2313198

General
Type Piperidine, Sulfur Compound, Carboxamide, Trifluoro
Chemical_Nomenclature 1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
Canonical SMILES CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C
InChI InChI=1S/C21H23F3N2O3S/c1-14-3-8-19(15(2)13-14)30(28,29)26-11-9-16(10-12-26)20(27)25-18-6-4-17(5-7-18)21(22,23)24/h3-8,13,16H,9-12H2,1-2H3,(H,25,27)
InChIKey SVSMQFGAPYZVKX-UHFFFAOYSA-N
Other name(s) CHEMBL2313198 ; BDBM50424624 ; AKOS006455858
________________________________________________________________________________________________
MW|440.5
Formula|C21H23F3N2O3S
CAS_number|
PubChem|26412245
UniChem|SVSMQFGAPYZVKX-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | CHEMBL2313198 ligand of proteins in family: Epoxide_hydrolase
Protein | human-EPHX2

References:
Search PubMed for references concerning: CHEMBL2313198
    Title: Further exploration of the structure-activity relationship of dual soluble epoxide hydrolase/fatty acid amide hydrolase inhibitors
    Wilt S, Kodani S, Valencia L, Hudson PK, Sanchez S, Quintana T, Morisseau C, Hammock BD, Kandasamy R, Pecic S
    Ref: Bioorganic & Medicinal Chemistry, 51:116507, 2021 : PubMed

            

    Title: Development of multitarget inhibitors for the treatment of pain: Design, synthesis, biological evaluation and molecular modeling studies
    Wilt S, Kodani S, Le TNH, Nguyen L, Vo N, Ly T, Rodriguez M, Hudson PK, Morisseau C and Pecic S <1 more author(s)>
    Ref: Bioorg Chem, 103:104165, 2020 : PubMed

            

    Title: Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors
    Pecic S, Pakhomova S, Newcomer ME, Morisseau C, Hammock BD, Zhu Z, Rinderspacher A, Deng SX
    Ref: Bioorganic & Medicinal Chemistry Lett, 23:417, 2013 : PubMed