| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 7WI4P02YN1 |
Structure
| InChI Key | CDOZDBSBBXSXLB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H24N2S |
| Molecular Weight | 312.48 |
| AlogP | 5.02 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 6.48 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 260-300 | - | 20 | 34 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 20460 | - | - | - |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 313639 |
| ChEMBL | CHEMBL1206 |
| DrugBank | DB00392 |
| DrugCentral | 1086 |
| EPA CompTox | DTXSID2023018 |
| FDA SRS | 7WI4P02YN1 |
| Human Metabolome Database | HMDB0014536 |
| Guide to Pharmacology | 7181 |
| PharmGKB | PA449531 |
| SureChEMBL | SCHEMBL34045 |
CONTENTS