| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | Y310PA316B |
| InChI Key | HPMRFMKYPGXPEP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.23 |
| AlogP | 0.83 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.85 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Adrenergic receptor alpha-2 antagonist | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | 28 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | 1650 | 2-32 | 2-11 | - | |
|
Other cytosolic protein
|
- | - | - | 8-1256 | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Depressive Disorder, Major | 3 | D003865 | ClinicalTrials |
| Alzheimer Disease | 0 | D000544 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 79944-58-4 |
| ChEBI | 5862 |
| ChEMBL | CHEMBL10316 |
| DrugBank | DB12551 |
| EPA CompTox | DTXSID6045161 |
| FDA SRS | Y310PA316B |
| KEGG | C10968 |
| PubChem | 54459 |
| SureChEMBL | SCHEMBL114731 |