| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 67DOW7F9GL |
Structure
| InChI Key | OWBFCJROIKNMGD-BQYQJAHWSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H25NO8S |
| Molecular Weight | 451.5 |
| AlogP | 2.8 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 120.39 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
Other protein kinase group
Other protein kinase PLK family
|
- | 9 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Anemia, Refractory, with Excess of Blasts | 3 | D000754 | ClinicalTrials |
| Myelodysplastic Syndromes | 2 | D009190 | ClinicalTrials |
| Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
| Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
| Esophageal Neoplasms | 2 | D004938 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 592542-59-1 |
| ChEBI | 145417 |
| ChEMBL | CHEMBL1241855 |
| DrugBank | DB12146 |
| EPA CompTox | DTXSID30207984 |
| FDA SRS | 67DOW7F9GL |
| Guide to Pharmacology | 7833 |
| PDB | 6FS |
| PubChem | 6918736 |
| SureChEMBL | SCHEMBL498623 |
| ZINC | ZINC000003942646 |
CONTENTS