| Synonyms: | |
| Status: | Approved (1965) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01CF06 |
| UNII: | 4CNZ27M7RV |
Structure
| InChI Key | GPXLMGHLHQJAGZ-JTDSTZFVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H22N2O5S |
| Molecular Weight | 414.48 |
| AlogP | 2.48 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 95.94 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 34900 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteomyelitis | 3 | D010019 | ClinicalTrials |
| Infections | 2 | D007239 | ClinicalTrials |
| Gram-Positive Bacterial Infections | 2 | D016908 | ClinicalTrials |
| Bacteremia | 2 | D016470 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 147-52-4 |
| ChEBI | 7447 |
| ChEMBL | CHEMBL1443 |
| DrugBank | DB00607 |
| DrugCentral | 1869 |
| EPA CompTox | DTXSID8023343 |
| FDA SRS | 4CNZ27M7RV |
| Human Metabolome Database | HMDB0014745 |
| Guide to Pharmacology | 10942 |
| KEGG | C07250 |
| PharmGKB | PA450576 |
| PubChem | 8982 |
| SureChEMBL | SCHEMBL47797 |
| ZINC | ZINC000003875980 |
CONTENTS