| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1984) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 1GEV3BAW9J |
| Parent Compound: | LABETALOL |
Structure
| InChI Key | WQVZLXWQESQGIF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| 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 |
Pharmacology
| 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 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pre-Eclampsia | 2 | D011225 | ClinicalTrials |
| Cerebral Hemorrhage | 2 | D002543 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 6344 |
| ChEMBL | CHEMBL1200323 |
| EPA CompTox | DTXSID0044654 |
| FDA SRS | 1GEV3BAW9J |
| Guide to Pharmacology | 7207 |
| KEGG | C07063 |
| PubChem | 71412 |
| SureChEMBL | SCHEMBL41230 |
| ZINC | ZINC00403011 |
CONTENTS