| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 00S42N58OM |
Structure
| InChI Key | BONORRGKLJBGRV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H20ClN3S |
| Molecular Weight | 297.86 |
| AlogP | 2.71 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 19.37 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
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
|
- | - | - | - | 83 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 38213 |
| ChEMBL | CHEMBL1255739 |
| EPA CompTox | DTXSID0020818 |
| FDA SRS | 00S42N58OM |
| PubChem | 8667 |
| SureChEMBL | SCHEMBL498484 |
CONTENTS