| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 83J78V5W05 |
Structure
| InChI Key | IIVBFTNIGYRNQY-YQLZSBIMSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H30O4 |
| Molecular Weight | 370.49 |
| AlogP | 4.19 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 60.44 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| AGONIST | Progesterone receptor agonist |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Enzyme
Transferase
|
- | - | - | - | 11.84 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 1.72-41.31 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Sclerosis | 3 | D009103 | ClinicalTrials |
| Dysmenorrhea | 2 | D004412 | ClinicalTrials |
| Polycystic Ovary Syndrome | 1 | D011085 | ClinicalTrials |
| Menopause | 1 | D008593 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 58652-20-3 |
| ChEBI | 135564 |
| ChEMBL | CHEMBL1476022 |
| DrugBank | DB13981 |
| DrugCentral | 1957 |
| EPA CompTox | DTXSID90207349 |
| FDA SRS | 83J78V5W05 |
| PubChem | 91668 |
| SureChEMBL | SCHEMBL37517 |
| ZINC | ZINC000003938628 |
CONTENTS