| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1953) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01XE01 |
| UNII: | 927AH8112L |
Structure
| InChI Key | NXFQHRVNIOXGAQ-YCRREMRBSA-N |
|---|---|
| Smile | |
| InChI |
|
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 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 41 | |
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 91 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | -2-101 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 20900 | - | - | - | |
|
Unclassified protein
|
- | 19100 | - | 816 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Side Effects from Label
Side Effects (PT)
| Side effects | Relative Frequency (%) | Labels | |
|---|---|---|---|
| Gastrointestinal disorders Nausea | 8.0 | ||
| Nervous system disorders Headache | 6.0 | ||
| Gastrointestinal disorders Flatulence | 1.5 |
Adverse Reactions
System Organ Classification (SOC)
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 |
CONTENTS