Trade Names: | |
Synonyms: | |
Status: | Approved (1984) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 1GEV3BAW9J |
Parent Compound: | LABETALOL |
InChI Key | WQVZLXWQESQGIF-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H25ClN2O3 |
Molecular Weight | 364.87 |
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 |
Action | Mechanism of Action | Reference |
---|---|---|
ANTAGONIST | Adrenergic receptor antagonist | DailyMed |
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
|
- | - | 36-38 | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 101 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pre-Eclampsia | 2 | D011225 | ClinicalTrials |
Cerebral Hemorrhage | 2 | D002543 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 6344 |
ChEMBL | CHEMBL1200323 |
EPA CompTox | DTXSID0044654 |
FDA SRS | 1GEV3BAW9J |
Guide to Pharmacology | 7207 |
KEGG | C07063 |
PubChem | 71412 |
SureChEMBL | SCHEMBL41230 |
ZINC | ZINC00403011 |