| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 95K54647BZ |
Structure
| InChI Key | DODQJNMQWMSYGS-QPLCGJKRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H29NO2 |
| Molecular Weight | 387.52 |
| AlogP | 5.7 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 32.7 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 3
Nuclear hormone receptor subfamily 3 group A
Nuclear hormone receptor subfamily 3 group A member 1
|
- | 1-70 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Mastodynia | 2 | D059373 | ClinicalTrials |
| Carcinoma, Intraductal, Noninfiltrating | 2 | D002285 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68392-35-8 |
| ChEBI | 44616 |
| ChEMBL | CHEMBL489 |
| DrugBank | DB04468 |
| EPA CompTox | DTXSID7022384 |
| FDA SRS | 95K54647BZ |
| Human Metabolome Database | HMDB0060530 |
| KEGG | C05011 |
| PDB | OHT |
| SureChEMBL | SCHEMBL9189 |
| ZINC | ZINC000000902197 |
CONTENTS