| Synonyms: | |
| Status: | Approved (1987) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | G04CA03 |
| UNII: | 8L5014XET7 |
| InChI Key | VCKUSRYTPJJLNI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H25N5O4 |
| Molecular Weight | 387.44 |
| AlogP | 1.06 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 103.04 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 28.0 |
| Primary Target | |
|---|---|
| α1A-adrenoceptor | |
| α1B-adrenoceptor | |
| α1D-adrenoceptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 17783 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
1-2 | - | 3-3 | 2-40 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 23700 | - | - | 77 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 36800 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension | 3 | D006973 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Coronary Disease | 3 | D003327 | ClinicalTrials |
| Atherosclerosis | 3 | D050197 | ClinicalTrials |
| Hypercholesterolemia | 3 | D006937 | ClinicalTrials |
| Carotid Stenosis | 2 | D016893 | ClinicalTrials |
| Parkinson Disease | 1 | D010300 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 63590-64-7 |
| ChEBI | 9445 |
| ChEMBL | CHEMBL611 |
| DrugBank | DB01162 |
| DrugCentral | 3584 |
| EPA CompTox | DTXSID3023639 |
| FDA SRS | 8L5014XET7 |
| Human Metabolome Database | HMDB0015293 |
| Guide to Pharmacology | 7302 |
| KEGG | C07127 |
| PharmGKB | PA451612 |
| PubChem | 5401 |
| SureChEMBL | SCHEMBL6528 |