| Synonyms: | |
| Status: | Approved (1968) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01CF01 |
| UNII: | COF19H7WBK |
Structure
| InChI Key | YFAGHNZHGGCZAX-JKIFEVAISA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H17Cl2N3O5S |
| Molecular Weight | 470.33 |
| AlogP | 3.2 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 112.74 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 30.0 |
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
|
- | 16600 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 45000-69700 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Bacteremia | 3 | D016470 | ClinicalTrials |
| Gram-Positive Bacterial Infections | 3 | D016908 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3116-76-5 |
| ChEBI | 4511 |
| ChEMBL | CHEMBL893 |
| DrugBank | DB00485 |
| DrugCentral | 866 |
| EPA CompTox | DTXSID1022924 |
| FDA SRS | COF19H7WBK |
| Human Metabolome Database | HMDB0014628 |
| KEGG | C06950 |
| PharmGKB | PA164749649 |
| PubChem | 18381 |
| SureChEMBL | SCHEMBL23955 |
| ZINC | ZINC000003978006 |
CONTENTS