| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | YC2ZOM3Z8V |
Structure
| InChI Key | UCDKONUHZNTQPY-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H21Br2ClN2 |
| Molecular Weight | 412.6 |
| AlogP | 4.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.26 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| 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
|
- | - | - | - | 103 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 31303 |
| ChEMBL | CHEMBL1319139 |
| EPA CompTox | DTXSID0045886 |
| FDA SRS | YC2ZOM3Z8V |
| PubChem | 5702220 |
| SureChEMBL | SCHEMBL99613 |
CONTENTS