| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 46AF8680RC |
Structure
| InChI Key | MHJBZVSGOZTKRH-IZHYLOQSSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H27NO2 |
| Molecular Weight | 373.5 |
| AlogP | 5.36 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 41.49 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 19
Cytochrome P450 family 19A
Cytochrome P450 19A1
|
- | 6000-6100 | - | - | 11-58 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Bipolar Disorder | 3 | D001714 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Carcinoma, Intraductal, Noninfiltrating | 1 | D002285 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 80555 |
| ChEMBL | CHEMBL1093458 |
| EPA CompTox | DTXSID80149880 |
| FDA SRS | 46AF8680RC |
| Human Metabolome Database | HMDB0060666 |
| Guide to Pharmacology | 10203 |
| KEGG | C16547 |
| PDB | 9XY |
| PharmGKB | PA166124478 |
| PubChem | 10090750 |
| SureChEMBL | SCHEMBL10107920 |
| ZINC | ZINC000022056306 |
CONTENTS