OXYPURINOL

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII G97OZE5068
EPA CompTox DTXSID4035209

Structure

InChI Key HXNFUBHNUDHIGC-UHFFFAOYSA-N
Smiles Oc1nc(O)c2cn[nH]c2n1
InChI
InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4N4O2
Molecular Weight 152.11
AlogP -1.06
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 94.4
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 11.0

Pharmacology

Mechanism of Action Action Reference
Xanthine dehydrogenase inhibitor INHIBITOR FDA EMA FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - 35 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 35 -

Target Conservation

Protein: Xanthine dehydrogenase
Description: Xanthine dehydrogenase/oxidase
Organism : Homo sapiens
P47989 ENSG00000158125

Cross References

Resources Reference
ChEBI 28315
ChEMBL CHEMBL859
DrugBank DB05262
FDA SRS G97OZE5068
Human Metabolome Database HMDB0000786
KEGG C07599
PDB 141
PubChem 135398752
SureChEMBL SCHEMBL39154
ZINC ZINC000084462581
CONTENTS