| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A11HA05 |
| UNII: | 6SO6U10H04 |
Structure
| InChI Key | YBJHBAHKTGYVGT-ZKWXMUAHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H16N2O3S |
| Molecular Weight | 244.32 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 78.43 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 16.0 |
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
|
- | - | - | - | 93 | |
|
Unclassified protein
|
- | - | 0 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Sclerosis | 3 | D009103 | ClinicalTrials |
| Huntington Disease | 2 | D006816 | ClinicalTrials |
| Amyotrophic Lateral Sclerosis | 2 | D000690 | ClinicalTrials |
| Heart Failure | 2 | D006333 | ClinicalTrials |
| Anemia, Neonatal | 2 | D000751 | ClinicalTrials |
| Anemia, Sickle Cell | 0 | D000755 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 58-85-5 |
| ChEBI | 15956 |
| ChEMBL | CHEMBL857 |
| DrugBank | DB00121 |
| DrugCentral | 373 |
| EPA CompTox | DTXSID7022679 |
| FDA SRS | 6SO6U10H04 |
| Human Metabolome Database | HMDB0000030 |
| Guide to Pharmacology | 4787 |
| KEGG | C00120 |
| PDB | BTN |
| PharmGKB | PA448625 |
| PubChem | 171548 |
| SureChEMBL | SCHEMBL8763 |
| ZINC | ZINC000035024346 |
CONTENTS