CHEMBL2313198
General
Type : Piperidine,Sulfur Compound,Sulfonamide,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
Stucture :
Protein : human-EPHX2
References (3)
| Title : Further exploration of the structure-activity relationship of dual soluble epoxide hydrolase\/fatty acid amide hydrolase inhibitors - Wilt_2021_Bioorg.Med.Chem_51_116507 |
| Author(s) : 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 |
| Abstract : Wilt_2021_Bioorg.Med.Chem_51_116507 |
| ESTHER : Wilt_2021_Bioorg.Med.Chem_51_116507 |
| PubMedSearch : Wilt_2021_Bioorg.Med.Chem_51_116507 |
| PubMedID: 34794001 |
| Title : Development of multitarget inhibitors for the treatment of pain: Design, synthesis, biological evaluation and molecular modeling studies - Wilt_2020_Bioorg.Chem_103_104165 |
| Author(s) : Wilt S , Kodani S , Le TNH , Nguyen L , Vo N , Ly T , Rodriguez M , Hudson PK , Morisseau C , Hammock BD , Pecic S |
| Ref : Bioorg Chem , 103 :104165 , 2020 |
| Abstract : Wilt_2020_Bioorg.Chem_103_104165 |
| ESTHER : Wilt_2020_Bioorg.Chem_103_104165 |
| PubMedSearch : Wilt_2020_Bioorg.Chem_103_104165 |
| PubMedID: 32891856 |
| Title : Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors - Pecic_2013_Bioorg.Med.Chem.Lett_23_417 |
| Author(s) : Pecic S , Pakhomova S , Newcomer ME , Morisseau C , Hammock BD , Zhu Z , Rinderspacher A , Deng SX |
| Ref : Bioorganic & Medicinal Chemistry Lett , 23 :417 , 2013 |
| Abstract : Pecic_2013_Bioorg.Med.Chem.Lett_23_417 |
| ESTHER : Pecic_2013_Bioorg.Med.Chem.Lett_23_417 |
| PubMedSearch : Pecic_2013_Bioorg.Med.Chem.Lett_23_417 |
| PubMedID: 23237835 |
| Gene_locus related to this paper: human-EPHX2 |