| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 76H78MJJ52 |
Structure
| InChI Key | ZZHLYYDVIOPZBE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H22N2S |
| Molecular Weight | 298.45 |
| AlogP | 4.49 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 6.48 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 73720 | - | - | - |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 9725 |
| ChEMBL | CHEMBL829 |
| DrugBank | DB01246 |
| DrugCentral | 2749 |
| EPA CompTox | DTXSID9023708 |
| FDA SRS | 76H78MJJ52 |
| Human Metabolome Database | HMDB0015376 |
| Guide to Pharmacology | 7237 |
| KEGG | C07172 |
| PharmGKB | PA164744009 |
| SureChEMBL | SCHEMBL18993 |
CONTENTS