| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1990) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01MA01 |
| UNII: | A4P49JAZ9H |
Structure
| InChI Key | GSDSWSVVBLHKDQ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H20FN3O4 |
| Molecular Weight | 361.37 |
| AlogP | 1.54 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 75.01 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | -0.39 | - | EXP |
| Henry's Law Constant | 4.98E-20 | atm-m3/mole | EST |
| Atmospheric OH Rate Constant | 1.97E-10 | cm3/molecule-sec | EST |
| Melting Point | 254 dec | deg C | EXP |
| Water Solubility | 2.83E+04 | mg/L | EST |
| Vapor Pressure | 1.55E-13 | mm Hg | EST |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Bacterial DNA gyrase inhibitor | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Isomerase
|
- | 1500 | - | - | - | |
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | 11000 | - | - | - | |
|
Secreted protein
|
- | - | 12000 | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 25-90 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 21 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Urinary Tract Infections | 3 | D014552 | ClinicalTrials |
| Conjunctivitis, Bacterial | 3 | D003234 | ClinicalTrials |
| Glaucoma | 3 | D005901 | ClinicalTrials |
| Pelvic Inflammatory Disease | 3 | D000292 | ClinicalTrials |
| Otitis Media | 3 | D010033 | ClinicalTrials |
| Diabetic Foot | 3 | D017719 | ClinicalTrials |
| Glaucoma, Open-Angle | 3 | D005902 | ClinicalTrials |
| Ocular Hypertension | 3 | D009798 | ClinicalTrials |
| Hearing Loss | 1 | D034381 | 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 | 82419-36-1 |
| ChEBI | 7731 |
| ChEMBL | CHEMBL4 |
| DrugBank | DB01165 |
| DrugCentral | 1981 |
| EPA CompTox | DTXSID3041085 |
| FDA SRS | A4P49JAZ9H |
| Human Metabolome Database | HMDB0015296 |
| Guide to Pharmacology | 10918 |
| KEGG | C07321 |
| PDB | LFX |
| PharmGKB | PA450684 |
| PubChem | 4583 |
| SureChEMBL | SCHEMBL24373 |
| ZINC | ZINC00538273 |
CONTENTS