| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | DM9UIR23R7 |
Structure
| InChI Key | WKDACQVEJIVHMZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C28H32N4O3S |
| Molecular Weight | 504.66 |
| AlogP | 4.62 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 95.16 |
| Molecular species | BASE |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Serine/threonine-protein kinase Aurora-B inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
Other protein kinase group
Other protein kinase AUR family
|
- | 15 | - | 0 | - | |
|
Other nuclear protein
|
- | 15 | - | 0 | - | |
|
Unclassified protein
|
- | 21 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Lymphoma | 1 | D008223 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 1 | D015451 | ClinicalTrials |
| Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
| Multiple Myeloma | 1 | D009101 | ClinicalTrials |
| Primary Myelofibrosis | 1 | D055728 | ClinicalTrials |
| Waldenstrom Macroglobulinemia | 1 | D008258 | ClinicalTrials |
| Primary Myelofibrosis | 1 | D055728 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 934541-31-8 |
| ChEMBL | CHEMBL3544932 |
| DrugBank | DB12756 |
| EPA CompTox | DTXSID70583097 |
| FDA SRS | DM9UIR23R7 |
| PubChem | 16124208 |
| SureChEMBL | SCHEMBL645679 |
| ZINC | ZINC000035310420 |
CONTENTS