| Synonyms: | |
| Status: | Approved (1995) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 3ST302B24A |
| InChI Key | OXCMYAYHXIHQOA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H22ClKN6O |
| Molecular Weight | 461.01 |
| AlogP | 4.27 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 92.51 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 30.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Type-1 angiotensin II receptor antagonist | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3A
|
- | 13000 | - | - | - | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3B
|
- | 13000 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Angiotensin receptor
|
- | 2-10 | - | 9-25 | 21-74 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 8530 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 34100 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Proteinuria | 4 | D011507 | ClinicalTrials |
| Kidney Diseases | 4 | D007674 | ClinicalTrials |
| Essential Hypertension | 3 | D000075222 | ClinicalTrials |
| Marfan Syndrome | 3 | D008382 | ClinicalTrials |
| Hypertrophy, Left Ventricular | 3 | D017379 | ClinicalTrials |
| Eosinophilic Esophagitis | 2 | D057765 | ClinicalTrials |
| Carcinoma, Pancreatic Ductal | 2 | D021441 | ClinicalTrials |
| Non-alcoholic Fatty Liver Disease | 2 | D065626 | ClinicalTrials |
| Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
| Pre-Eclampsia | 0 | D011225 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL995 |
| EPA CompTox | DTXSID3044209 |
| FDA SRS | 3ST302B24A |
| SureChEMBL | SCHEMBL42079 |