| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1967) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | F8A3652H1V |
| Parent Compound: | PROPRANOLOL |
Structure
| InChI Key | ZMRUPTIKESYGQW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H22ClNO2 |
| Molecular Weight | 295.81 |
| AlogP | 2.58 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 41.49 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| 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
|
- | - | 1 | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 60 |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Esophageal and Gastric Varices | 3 | D004932 | ClinicalTrials |
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Stress Disorders, Post-Traumatic | 3 | D013313 | ClinicalTrials |
| Liver Cirrhosis | 3 | D008103 | ClinicalTrials |
| Sarcoma | 2 | D012509 | ClinicalTrials |
| Melanoma | 2 | D008545 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
| Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
| Movement Disorders | 2 | D009069 | ClinicalTrials |
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
| Tetralogy of Fallot | 1 | D013771 | ClinicalTrials |
| Hemangioma | 1 | D006391 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 8500 |
| ChEMBL | CHEMBL1671 |
| EPA CompTox | DTXSID3021198 |
| FDA SRS | F8A3652H1V |
| Guide to Pharmacology | 564 |
| KEGG | C07407 |
| PDB | SNP |
| PubChem | 62882 |
| SureChEMBL | SCHEMBL41688 |
| ZINC | ZINC00056556 |
CONTENTS