| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 756U07KN1R |
Structure
| InChI Key | ONDYALNGTUAJDX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H17F3N2O4 |
| Molecular Weight | 406.36 |
| AlogP | 3.55 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 71.77 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIa
|
- | - | 10 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Prostatic Neoplasms | 3 | D011471 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
| Prostatic Neoplasms | 3 | D011471 | ClinicalTrials |
| Multiple Myeloma | 1 | D009101 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 254964-60-8 |
| ChEMBL | CHEMBL2107784 |
| DrugBank | DB05861 |
| EPA CompTox | DTXSID90180183 |
| FDA SRS | 756U07KN1R |
| Guide to Pharmacology | 8098 |
| PubChem | 54682876 |
| SureChEMBL | SCHEMBL4476895 |
| ZINC | ZINC000000602397 |
CONTENTS