Synonyms: | |
Status: | Approved (1984) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C07AG01 |
UNII: | R5H8897N95 |
InChI Key | SGUAFYQXFOLMHL-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H24N2O3 |
Molecular Weight | 328.41 |
AlogP | 2.14 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 8.0 |
Polar Surface Area | 95.58 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 24.0 |
Primary Target | |
---|---|
α1D-adrenoceptor | |
β1-adrenoceptor | |
β2-adrenoceptor |
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
|
- | - | 159 | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Hypertension | 3 | D006973 | ClinicalTrials |
Stroke | 2 | D020521 | ClinicalTrials |
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Tobacco Use Disorder | 2 | D014029 | ClinicalTrials |
Pre-Eclampsia | 2 | D011225 | ClinicalTrials |
Cerebral Hemorrhage | 2 | D002543 | ClinicalTrials |
Sinusitis | 2 | D012852 | ClinicalTrials |
Pain | 1 | D010146 | ClinicalTrials |
Acute Coronary Syndrome | 0 | D054058 | ClinicalTrials |
Hypotension | 0 | D007022 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 36894-69-6 |
ChEBI | 167638 |
ChEMBL | CHEMBL429 |
DrugBank | DB00598 |
DrugCentral | 1531 |
EPA CompTox | DTXSID2023191 |
FDA SRS | R5H8897N95 |
Human Metabolome Database | HMDB0014736 |
Guide to Pharmacology | 7207 |
KEGG | C07063 |
PharmGKB | PA164743150 |
PubChem | 3869 |
SureChEMBL | SCHEMBL4582 |