| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | CEG1Q6OGU1 |
Structure
| InChI Key | WPTTVJLTNAWYAO-KPOXMGGZSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C32H43NO4 |
| Molecular Weight | 505.7 |
| AlogP | 6.38 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 84.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 37.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Cysteine protease
Cysteine protease CA clan
Cysteine protease C19 family
|
- | 14080 | - | - | - | |
|
Transcription factor
|
60 | 2380 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension, Pulmonary | 3 | D006976 | ClinicalTrials |
| Polycystic Kidney, Autosomal Dominant | 3 | D016891 | ClinicalTrials |
| Diabetic Nephropathies | 3 | D003928 | ClinicalTrials |
| Hypertension, Pulmonary | 3 | D006976 | ClinicalTrials |
| Nephritis, Hereditary | 2 | D009394 | ClinicalTrials |
| Renal Insufficiency, Chronic | 2 | D051436 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
| Melanoma | 2 | D008545 | ClinicalTrials |
| Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
| Hematologic Neoplasms | 1 | D019337 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 218600-53-4 |
| ChEMBL | CHEMBL1762621 |
| DrugBank | DB05983 |
| EPA CompTox | DTXSID5048764 |
| FDA SRS | CEG1Q6OGU1 |
| Guide to Pharmacology | 3443 |
| PubChem | 400769 |
| SureChEMBL | SCHEMBL12521530 |
| ZINC | ZINC000003982151 |
CONTENTS