Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G01AX06
UNII 5J9CPU3RE0
EPA CompTox DTXSID4041997

Structure

InChI Key PLHJDBGFXBMTGZ-WEVVVXLNSA-N
Smiles O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1
InChI
InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7N3O5
Molecular Weight 225.16
AlogP 0.97
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 3.0
Polar Surface Area 98.18
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 91.17-94.52
Trypanosoma cruzi
400 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL1103
DrugBank DB00614
FDA SRS 5J9CPU3RE0
Human Metabolome Database HMDB0014752
KEGG C07999
PubChem 5323714
SureChEMBL SCHEMBL64996
ZINC ZINC000000113418