| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 33JD57L6RW |
Structure
| InChI Key | FEJVSJIALLTFRP-LJQANCHMSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H22N2O6 |
| Molecular Weight | 410.43 |
| AlogP | 2.92 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 100.0 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Endothelin receptor ET-A antagonist | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Endothelin receptor
|
- | 1 | - | 371 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension | 3 | D006973 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 171714-84-4 |
| ChEMBL | CHEMBL23261 |
| DrugBank | DB04883 |
| EPA CompTox | DTXSID1057664 |
| FDA SRS | 33JD57L6RW |
| Guide to Pharmacology | 3508 |
| PubChem | 177236 |
| SureChEMBL | SCHEMBL795084 |
| ZINC | ZINC000003826221 |
CONTENTS