| Synonyms: | |
| Status: | Approved (2001) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N02CC05 |
| UNII: | 1O4XL5SN61 |
Structure
| InChI Key | WKEMJKQOLOHJLZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H25N3O2S |
| Molecular Weight | 335.47 |
| AlogP | 2.2 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 56.41 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 94 |
Indications
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 154323-57-6 |
| ChEBI | 520985 |
| ChEMBL | CHEMBL1505 |
| DrugBank | DB00918 |
| DrugCentral | 128 |
| EPA CompTox | DTXSID5044289 |
| FDA SRS | 1O4XL5SN61 |
| Human Metabolome Database | HMDB0015054 |
| Guide to Pharmacology | 7110 |
| PharmGKB | PA10246 |
| PubChem | 123606 |
| SureChEMBL | SCHEMBL1957 |
| ZINC | ZINC000000018087 |
CONTENTS