| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1989) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01DD08 |
| UNII: | XZ7BG04GJX |
Structure
| InChI Key | OKBVVJOGVLARMR-QSWIMTSFSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H15N5O7S2 |
| Molecular Weight | 453.46 |
| AlogP | -0.54 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 184.51 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 89400 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Liver Abscess | 3 | D008100 | ClinicalTrials |
| Syphilis | 3 | D013587 | ClinicalTrials |
| HIV Infections | 3 | D015658 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Side Effects from Label
Side Effects (PT)
| Side effects | Relative Frequency (%) | Labels | |
|---|---|---|---|
| Gastrointestinal disorders Diarrhoea | 16.0 | ||
| Gastrointestinal disorders Diarrhoea | 15.0 | ||
| Nervous system disorders Headache | 11.0 | ||
| Gastrointestinal disorders Nausea | 9.0 | ||
| Gastrointestinal disorders Nausea | 7.0 | ||
| Gastrointestinal disorders Diarrhoea | 6.0 | ||
| Gastrointestinal disorders Abdominal pain | 5.0 | ||
| Gastrointestinal disorders Gastrointestinal pain | 5.0 | ||
| Gastrointestinal disorders Abdominal pain | 3.0 | ||
| Cardiac disorders Dizziness | 3.0 | ||
| Gastrointestinal disorders Dyspepsia | 3.0 | ||
| Gastrointestinal disorders Flatulence | 3.0 | ||
| Gastrointestinal disorders Gastrointestinal pain | 3.0 | ||
| Gastrointestinal disorders Vomiting | 2.0 |
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 79350-37-1 |
| ChEBI | 472657 |
| ChEMBL | CHEMBL1541 |
| DrugBank | DB00671 |
| DrugCentral | 537 |
| FDA SRS | XZ7BG04GJX |
| Human Metabolome Database | HMDB0014809 |
| Guide to Pharmacology | 10898 |
| KEGG | C06881 |
| PDB | C04 |
| PubChem | 5491577 |
| SureChEMBL | SCHEMBL24945 |
| ZINC | ZINC000004468778 |
CONTENTS