CHEMBL2392714
General
Type : Trifluoro,Piperidine,Carboxamide,Triazine
Chemical_Nomenclature : 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
Canonical SMILES : CC1=NC(=NC(=N1)NC)N2CCC(CC2)C(=O)NCC3=CC=CC=C3C(F)(F)F
InChI : InChI=1S\/C19H23F3N6O\/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)19(20,21)22\/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)
InChIKey : BUWQYHYHSQTERY-UHFFFAOYSA-N
Other name(s) : 4jnc,SCHEMBL2261854,BDBM50435760,1-[4-Methyl-6-(Methylamino)-1,3,5-Triazin-2-Yl]-N-[2-(Trifluoromethyl)benzyl]piperidine-4-Carboxamide,1LF
MW : 408.42
Formula : C19H23F3N6O
CAS_number :
PubChem : 59447733
UniChem : BUWQYHYHSQTERY-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL2392714 ligand of proteins in family: Epoxide_hydrolase
Stucture : 4JNC Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor
Protein : human-EPHX2
References (1)
| Title : Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase - Thalji_2013_Bioorg.Med.Chem.Lett_23_3584 |
| Author(s) : Thalji RK , McAtee JJ , Belyanskaya S , Brandt M , Brown GD , Costell MH , Ding Y , Dodson JW , Eisennagel SH , Fries RE , Gross JW , Harpel MR , Holt DA , Israel DI , Jolivette LJ , Krosky D , Li H , Lu Q , Mandichak T , Roethke T , Schnackenberg CG , Schwartz B , Shewchuk LM , Xie W , Behm DJ , Douglas SA , Shaw AL , Marino JP, Jr. |
| Ref : Bioorganic & Medicinal Chemistry Lett , 23 :3584 , 2013 |
| Abstract : Thalji_2013_Bioorg.Med.Chem.Lett_23_3584 |
| ESTHER : Thalji_2013_Bioorg.Med.Chem.Lett_23_3584 |
| PubMedSearch : Thalji_2013_Bioorg.Med.Chem.Lett_23_3584 |
| PubMedID: 23664879 |
| Gene_locus related to this paper: human-EPHX2 |