| Synonyms: | |
| Status: | Approved (1990) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | P02CE01 |
| UNII: | 2880D3468G |
Structure
| InChI Key | HLFSDGLLUJUHTE-SNVBAGLBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12N2S |
| Molecular Weight | 204.3 |
| AlogP | 2.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 15.6 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Phosphatase
|
- | 19210-19210 | - | 1810 | - | |
|
Enzyme
|
- | 19200-20210 | - | 16000 | 40 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Carcinoma, Hepatocellular | 3 | D006528 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
| Acne Vulgaris | 2 | D000152 | ClinicalTrials |
| Anemia, Aplastic | 2 | D000741 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14769-73-4 |
| ChEBI | 6432 |
| ChEMBL | CHEMBL1454 |
| DrugBank | DB00848 |
| DrugCentral | 1561 |
| EPA CompTox | DTXSID4023206 |
| FDA SRS | 2880D3468G |
| Human Metabolome Database | HMDB0014986 |
| Guide to Pharmacology | 7210 |
| KEGG | C07070 |
| PharmGKB | PA450205 |
| PubChem | 26879 |
| SureChEMBL | SCHEMBL19227 |
| ZINC | ZINC000000119839 |
CONTENTS