SCHEMBL7329991
IC50: 86 nM human-EPHX2
General
Type : Pyridine
Chemical_Nomenclature : 3-propyl-5-pyridin-3-yl-1H-pyrazin-2-one
Canonical SMILES : CCCC1=NC(=CNC1=O)C2=CN=CC=C2
InChI : InChI=1S\/C12H13N3O\/c1-2-4-10-12(16)14-8-11(15-10)9-5-3-6-13-7-9\/h3,5-8H,2,4H2,1H3,(H,14,16)
InChIKey : ZKLHKFWUNCAKLE-UHFFFAOYSA-N
Other name(s) : 3-Propyl-5-(3-Pyridyl)-1h-Pyrazin-2-One,2(1H)-Pyrazinone, 3-propyl-5-(3-pyridinyl)-,V2Z
MW : 215.25
Formula : C12H13N3O
CAS_number : 128972-01-0
PubChem : 14775256
UniChem : ZKLHKFWUNCAKLE-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : SCHEMBL7329991 ligand of proteins in family: Epoxide_hydrolase
Stucture : 5AK5 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 |