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 |