| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | FST467XS7D |
Structure
| InChI Key | CVHZOJJKTDOEJC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5NO3S |
| Molecular Weight | 183.19 |
| AlogP | 0.12 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 63.24 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 3600 | - | - | 73 | |
|
Enzyme
Lyase
|
- | - | - | 5180-7470 | - | |
|
Enzyme
|
- | 3600 | - | 5180-7470 | 73 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 111 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Epilepsy | 3 | D004827 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 32111 |
| ChEMBL | CHEMBL310671 |
| DrugBank | DB12418 |
| EPA CompTox | DTXSID5021251 |
| FDA SRS | FST467XS7D |
| Human Metabolome Database | HMDB0029723 |
| Guide to Pharmacology | 5432 |
| KEGG | C12283 |
| PDB | LSA |
| PubChem | 5143 |
| SureChEMBL | SCHEMBL3816 |
| ZINC | ZINC000002560357 |
CONTENTS