| Synonyms: | |
| Status: | Approved (1976) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | X0Z7454B90 |
| InChI Key | WFXFYZULCQKPIP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H22ClN5O4 |
| Molecular Weight | 419.87 |
| AlogP | 1.78 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 106.95 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 28.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | 0 | 2 | 4 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 100 |
| Resources | Reference |
|---|---|
| ChEBI | 8365 |
| ChEMBL | CHEMBL1558 |
| EPA CompTox | DTXSID50172822 |
| FDA SRS | X0Z7454B90 |
| SureChEMBL | SCHEMBL41257 |