| Synonyms: | |
| Status: | Approved (1961) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | R06AD03 |
| UNII: | 8ETK1WAF6R |
Structure
| InChI Key | XCTYLCDETUVOIP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H29N3S2 |
| Molecular Weight | 399.63 |
| AlogP | 5.04 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 9.72 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
|
- | 2300 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hernia, Inguinal | 3 | D006552 | ClinicalTrials |
| Alzheimer Disease | 2 | D000544 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 9544 |
| ChEMBL | CHEMBL1378 |
| DrugBank | DB00372 |
| DrugCentral | 2630 |
| EPA CompTox | DTXSID1023651 |
| FDA SRS | 8ETK1WAF6R |
| Human Metabolome Database | HMDB0014516 |
| Guide to Pharmacology | 7306 |
| KEGG | C07132 |
| PharmGKB | PA164748882 |
| PubChem | 5440 |
| SureChEMBL | SCHEMBL49124 |
| ZINC | ZINC000022446674 |
CONTENTS