| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 6O4754US88 |
Structure
| InChI Key | ANEBWFXPVPTEET-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C35H38N4O6 |
| Molecular Weight | 610.71 |
| AlogP | 4.95 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 114.25 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 45.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Cysteine protease
Cysteine protease CA clan
Cysteine protease C1A family
|
- | 6000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension | 3 | D006973 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135849 |
| ChEMBL | CHEMBL1085699 |
| DrugBank | DB09238 |
| DrugCentral | 1631 |
| EPA CompTox | DTXSID2043745 |
| FDA SRS | 6O4754US88 |
| SureChEMBL | SCHEMBL49368 |
CONTENTS