CHEMBL4451596
IC50 19 nM
General
Type : Sulfonamide,Pyridine,Trifluoro,Sulfur Compound
Chemical_Nomenclature : N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-sulfonamide
Canonical SMILES : C1CCC(C1)NS(=O)(=O)C2=C3C(=NC=C2)N=C(N3)C4=CC=C(C=C4)C(F)(F)F
InChI : InChI=1S\/C18H17F3N4O2S\/c19-18(20,21)12-7-5-11(6-8-12)16-23-15-14(9-10-22-17(15)24-16)28(26,27)25-13-3-1-2-4-13\/h5-10,13,25H,1-4H2,(H,22,23,24)
InChIKey : JBHHWVFQIGPHPU-UHFFFAOYSA-N
Other name(s) : BDBM50534967,Q27455666,5DQ
MW : 410.4
Formula : C18H17F3N4O2S
CAS_number :
PubChem : 91754984
UniChem : JBHHWVFQIGPHPU-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL4451596 ligand of proteins in family: Epoxide_hydrolase
Stucture : 5ALS ligand complex structure of human soluble epoxide hydrolase
Protein : human-EPHX2
References (1)
| Title : Successful generation of structural information for fragment-based drug discovery - Oster_2015_Drug.Discov.Today_20_1104 |
| Author(s) : Oster L , Tapani S , Xue Y , Kack H |
| Ref : Drug Discov Today , 20 :1104 , 2015 |
| Abstract : Oster_2015_Drug.Discov.Today_20_1104 |
| ESTHER : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedSearch : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedID: 25931264 |
| Gene_locus related to this paper: human-EPHX2 |