| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | G01AF15 |
| UNII: | 0Q771797PH |
Structure
| InChI Key | SWLMUYACZKCSHZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H17Cl3N2S |
| Molecular Weight | 411.79 |
| AlogP | 6.64 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 17.82 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 11 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 3240 |
| ChEMBL | CHEMBL1295 |
| DrugBank | DB00639 |
| DrugCentral | 450 |
| EPA CompTox | DTXSID2048537 |
| FDA SRS | 0Q771797PH |
| Human Metabolome Database | HMDB0014777 |
| KEGG | C08065 |
| PharmGKB | PA164781353 |
| PubChem | 47472 |
| SureChEMBL | SCHEMBL44237 |
CONTENTS