| Synonyms: | |
| Status: | Approved (1993) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent Prodrug |
| ATC: | C09AA04 |
| UNII: | Y5GMK36KGY |
| InChI Key | IPVQLZZIHOAWMC-QXKUPLGCSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H32N2O5 |
| Molecular Weight | 368.47 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 95.94 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 26.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M2 family
|
- | 2 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Cardiomyopathy, Dilated | 3 | D002311 | ClinicalTrials |
| Hypertension | 3 | D006973 | ClinicalTrials |
| Marfan Syndrome | 3 | D008382 | ClinicalTrials |
| Alzheimer Disease | 2 | D000544 | ClinicalTrials |
| Aortic Aneurysm, Abdominal | 2 | D017544 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Stress Disorders, Post-Traumatic | 1 | D013313 | ClinicalTrials |
| Amphetamine-Related Disorders | 1 | D019969 | ClinicalTrials |
| Substance-Related Disorders | 1 | D019966 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 82834-16-0 |
| ChEBI | 8024 |
| ChEMBL | CHEMBL1581 |
| DrugBank | DB00790 |
| DrugCentral | 2108 |
| EPA CompTox | DTXSID6023440 |
| FDA SRS | Y5GMK36KGY |
| Human Metabolome Database | HMDB0014928 |
| Guide to Pharmacology | 6367 |
| KEGG | C07706 |
| PharmGKB | PA450877 |
| PubChem | 107807 |
| SureChEMBL | SCHEMBL16205 |
| ZINC | ZINC000003812867 |