| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1999) Withdrawn (2006) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01MA16 |
| UNII: | 81485Y3A9A |
Structure
| InChI Key | XUBOMFCQGDBHNK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H22FN3O4 |
| Molecular Weight | 375.4 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 83.8 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA gyrase inhibitor | FDA |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Isomerase
|
- | 9400-44000 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 122 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Tuberculosis | 3 | D014376 | ClinicalTrials |
| Cataract | 1 | D002386 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 112811-59-3 |
| ChEBI | 5280 |
| ChEMBL | CHEMBL31 |
| DrugBank | DB01044 |
| DrugCentral | 1280 |
| EPA CompTox | DTXSID5045704 |
| FDA SRS | 81485Y3A9A |
| Human Metabolome Database | HMDB0015178 |
| Guide to Pharmacology | 10816 |
| KEGG | C07661 |
| PharmGKB | PA449738 |
| PubChem | 5282384 |
| SureChEMBL | SCHEMBL22591 |
| ZINC | ZINC38197764 |
CONTENTS