| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1959) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | X0A40N8I4S |
| Parent Compound: | ORPHENADRINE |
| InChI Key | MMMNTDFSPSQXJP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C24H31NO8 |
| Molecular Weight | 461.51 |
| AlogP | 3.66 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 12.47 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 20.0 |
| 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
|
- | - | - | - | 88 |
| Resources | Reference |
|---|---|
| ChEBI | 7790 |
| ChEMBL | CHEMBL1200395 |
| EPA CompTox | DTXSID8044678 |
| FDA SRS | X0A40N8I4S |
| PubChem | 83823 |
| SureChEMBL | SCHEMBL119470 |