| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C01EB15 |
| UNII: | N9A0A0R9S8 |
Structure
| InChI Key | UHWVSEOVJBQKBE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H22N2O3 |
| Molecular Weight | 266.34 |
| AlogP | 1.12 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 42.96 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 1300 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cardiomyopathy, Hypertrophic | 2 | D002312 | ClinicalTrials |
| Hypertension, Pulmonary | 2 | D006976 | ClinicalTrials |
| Cardiotoxicity | 2 | D066126 | ClinicalTrials |
| Heart Failure | 1 | D006333 | ClinicalTrials |
| Acute-On-Chronic Liver Failure | 1 | D065290 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5011-34-7 |
| ChEBI | 94789 |
| ChEMBL | CHEMBL203266 |
| DrugBank | DB09069 |
| DrugCentral | 2750 |
| EPA CompTox | DTXSID2048531 |
| FDA SRS | N9A0A0R9S8 |
| PubChem | 21109 |
| SureChEMBL | SCHEMBL230374 |
| ZINC | ZINC000019358638 |
CONTENTS