| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A07AB02 |
| UNII: | 6875L5852V |
Structure
| InChI Key | PBMSWVPMRUJMPE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H13N3O5S2 |
| Molecular Weight | 403.44 |
| AlogP | 2.89 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 125.46 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 27.0 |
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
|
- | - | - | - | 107 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 9336 |
| ChEMBL | CHEMBL1524273 |
| DrugBank | DB13248 |
| DrugCentral | 2158 |
| EPA CompTox | DTXSID8023470 |
| FDA SRS | 6875L5852V |
| KEGG | C07659 |
| PubChem | 4806 |
| SureChEMBL | SCHEMBL152662 |
| ZINC | ZINC000001530877 |
CONTENTS