| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1997) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01DD15 |
| UNII: | CI0FAO63WC |
Structure
| InChI Key | RTXOFQZKPXMALH-GHXIOONMSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H13N5O5S2 |
| Molecular Weight | 395.42 |
| AlogP | -0.17 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 158.21 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 79 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 11600 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Bronchitis, Chronic | 4 | D029481 | ClinicalTrials |
| Infections | 4 | D007239 | ClinicalTrials |
| Mastitis | 2 | D008413 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
| Appendicitis | 0 | D001064 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 91832-40-5 |
| ChEBI | 3485 |
| ChEMBL | CHEMBL927 |
| DrugBank | DB00535 |
| DrugCentral | 533 |
| EPA CompTox | DTXSID8046084 |
| FDA SRS | CI0FAO63WC |
| Human Metabolome Database | HMDB0014675 |
| KEGG | C08110 |
| PharmGKB | PA164768739 |
| PubChem | 6915944 |
| SureChEMBL | SCHEMBL36995 |
| ZINC | ZINC000003927198 |
CONTENTS