| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | DRG21OQ517 |
Structure
| InChI Key | CAOTVXGYTWCKQE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H25ClN2O |
| Molecular Weight | 380.92 |
| AlogP | 4.89 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 41.99 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Sphingosine kinase 2 inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 40 | |
|
Enzyme
Transferase
|
- | - | - | - | ||
|
Enzyme
|
- | 11400-60000 | - | 9800-10000 | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -16.9-5.62 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cholangiocarcinoma | 2 | D018281 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
| Coronavirus Infections | 2 | D018352 | ClinicalTrials |
| Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
| Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 1 | D016403 | ClinicalTrials |
| Multiple Myeloma | 1 | D009101 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 124965 |
| ChEMBL | CHEMBL2158685 |
| DrugBank | DB12764 |
| FDA SRS | DRG21OQ517 |
| Guide to Pharmacology | 6624 |
| PubChem | 15604015 |
| SureChEMBL | SCHEMBL1548333 |
CONTENTS