| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | C08CA09 |
| UNII: | 260080034N |
Structure
| InChI Key | GKQPCPXONLDCMU-CCEZHUSRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H33NO6 |
| Molecular Weight | 455.55 |
| AlogP | 4.4 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 90.93 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 33.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension | 3 | D006973 | ClinicalTrials |
| Angina, Stable | 2 | D060050 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 103890-78-4 |
| ChEBI | 135737 |
| ChEMBL | CHEMBL460291 |
| DrugBank | DB09236 |
| DrugCentral | 1532 |
| EPA CompTox | DTXSID1046429 |
| FDA SRS | 260080034N |
| PubChem | 5311217 |
| SureChEMBL | SCHEMBL49277 |
| ZINC | ZINC000100015470 |
CONTENTS