| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2000) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A10BX03 |
| UNII: | 41X3PWK4O2 |
| InChI Key | OELFLUMRDSZNSF-BRWVUGGUSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.43 |
| AlogP | 3.26 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 66.4 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 23.0 |
| 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
|
- | - | - | - | 100 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | 9200 | - |
| Resources | Reference |
|---|---|
| CAS NUMBER | 105816-04-4 |
| ChEBI | 31897 |
| ChEMBL | CHEMBL783 |
| DrugBank | DB00731 |
| DrugCentral | 1886 |
| EPA CompTox | DTXSID9040687 |
| FDA SRS | 41X3PWK4O2 |
| Guide to Pharmacology | 6833 |
| KEGG | C12508 |
| SureChEMBL | SCHEMBL22088 |
| ZINC | ZINC000101489663 |