| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01DC05 |
| UNII: | 48SPP0PA9Q |
Structure
| InChI Key | SRZNHPXWXCNNDU-IXOPCIAXSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H17N7O8S4 |
| Molecular Weight | 575.63 |
| AlogP | -1.4 |
| Hydrogen Bond Acceptor | 14.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 219.93 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 79000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cholecystitis | 1 | D002764 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 69712-56-7 |
| ChEBI | 3499 |
| ChEMBL | CHEMBL474579 |
| DrugBank | DB01330 |
| DrugCentral | 547 |
| EPA CompTox | DTXSID1022762 |
| FDA SRS | 48SPP0PA9Q |
| Human Metabolome Database | HMDB0015425 |
| Guide to Pharmacology | 10936 |
| KEGG | C06886 |
| SureChEMBL | SCHEMBL61376 |
CONTENTS