| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | I43T3ID6G2 |
Structure
| InChI Key | NFIXBCVWIPOYCD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H25NO |
| Molecular Weight | 283.41 |
| AlogP | 4.0 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 12.47 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M1 family
|
- | 160-400 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 93414 |
| ChEMBL | CHEMBL26424 |
| DrugBank | DB04905 |
| EPA CompTox | DTXSID1045661 |
| FDA SRS | I43T3ID6G2 |
| PubChem | 108092 |
| SureChEMBL | SCHEMBL112525 |
| ZINC | ZINC000000002139 |
CONTENTS