CHEMBL469792
General
Type : Piperidine,Sulfur Compound,Carboxamide,Sulfonyl
Chemical_Nomenclature : N-cycloheptyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
Canonical SMILES : CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C
InChI : InChI=1S\/C22H34N2O3S\/c1-16-14-17(2)21(18(3)15-16)28(26,27)24-12-10-19(11-13-24)22(25)23-20-8-6-4-5-7-9-20\/h14-15,19-20H,4-13H2,1-3H3,(H,23,25)
InChIKey : GTZJATJFRQCZIY-UHFFFAOYSA-N
Other name(s) : I23,4hai,AC1M23VW,SCHEMBL10019214,MolPort-003-250-113,ZINC2647124
MW : 406.58
Formula : C22H34N2O3S
CAS_number :
PubChem : 2110176
UniChem : GTZJATJFRQCZIY-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL469792 ligand of proteins in family: Epoxide_hydrolase
Stucture : 4HAI Crystal structure of human soluble human epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide.
Protein : human-EPHX2
References (1)
| 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 |