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Inhibitor Report for: 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 | 1 structure: 5AK5: ligand complex structure of soluble epoxide hydrolase
Protein | human-EPHX2

References:
Search PubMed for references concerning: SCHEMBL7329991
    Title: Successful generation of structural information for fragment-based drug discovery
    Oster L, Tapani S, Xue Y, Kack H
    Ref: Drug Discov Today, 20:1104, 2015 : PubMed