Structure

InChI Key NXFQHRVNIOXGAQ-YCRREMRBSA-N
Smile O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1
InChI
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6N4O5
Molecular Weight 238.16
AlogP 0.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 118.05
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt
Mixture

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
14.85
Respiratory, thoracic and mediastinal disorders
12.54
General disorders and administration site conditions
10.56
Skin and subcutaneous tissue disorders
9.57
Injury, poisoning and procedural complications
9.24
Hepatobiliary disorders
5.94
Investigations
5.28
Vascular disorders
5.28
Cardiac disorders
4.62
Blood and lymphatic system disorders
3.96
Gastrointestinal disorders
3.96
Nervous system disorders
3.3
Infections and infestations
2.97

Cross References

Resources Reference
CAS NUMBER 67-20-9
ChEBI 71415
ChEMBL CHEMBL572
DrugBank DB00698
DrugCentral 1949
FDA SRS 927AH8112L
Guide to Pharmacology 10917
KEGG C07268
PDB U6Z
PubChem 6604200
SureChEMBL SCHEMBL29470
ZINC ZINC000003875368