| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1946) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | V03AB09 |
| UNII: | 0CPP32S55X |
Structure
| InChI Key | WQABCVAJNWAXTE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C3H8OS2 | |
| Molecular Weight | 124.23 | |
| AlogP | 0.21 | |
| Hydrogen Bond Acceptor | 3.0 | |
| Hydrogen Bond Donor | 3.0 | |
| Number of Rotational Bond | 2.0 | |
| Polar Surface Area | 20.23 | |
| Molecular species | NEUTRAL | |
| Aromatic Rings | 0.0 | |
| Heavy Atoms | 6.0 |
Pharmacology
| Action | Mechanism of Action | Reference | |
|---|---|---|---|
| CHELATING AGENT | Heavy metals chelating agent | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group I
Nuclear hormone receptor subfamily 1 group I member 2
|
5000-50100 | - | - | - | - |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59-52-9 |
| ChEBI | 64198 |
| ChEMBL | CHEMBL1597 |
| DrugBank | DB06782 |
| DrugCentral | 3150 |
| EPA CompTox | DTXSID5040461 |
| FDA SRS | 0CPP32S55X |
| Human Metabolome Database | HMDB0015677 |
| KEGG | C02924 |
| PharmGKB | PA165958406 |
| PubChem | 3080 |
| SureChEMBL | SCHEMBL15969 |
CONTENTS