| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | TYH386V3WJ |
Structure
| InChI Key | MVSQDUZRRVBYLA-HYARGMPZSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H23ClN4O4S |
| Molecular Weight | 450.95 |
| AlogP | 2.14 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 102.31 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Eraser
Lysine demethylase
Lysine-specific demethylase
|
- | 13-127 | - | 31 | 97-99 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Sarcoma, Ewing | 1 | D012512 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Liposarcoma, Myxoid | 1 | D018208 | ClinicalTrials |
| Fibrosarcoma | 1 | D005354 | ClinicalTrials |
| Histiocytoma | 1 | D051642 | ClinicalTrials |
| Sarcoma, Clear Cell | 1 | D018227 | ClinicalTrials |
| Desmoplastic Small Round Cell Tumor | 1 | D058405 | ClinicalTrials |
| Myoepithelioma | 1 | D009208 | ClinicalTrials |
| Fibroma | 1 | D005350 | ClinicalTrials |
| Sarcoma | 1 | D012509 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL4297641 |
| FDA SRS | TYH386V3WJ |
| PubChem | 135565033 |
| SureChEMBL | SCHEMBL14697017 |
CONTENTS