| Synonyms: | |
| Status: | Approved (2017) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | L01XX59 |
| UNII: | 3T1SS4E7AG |
Structure
| InChI Key | DYLUUSLLRIQKOE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H17F6N7O |
| Molecular Weight | 473.38 |
| AlogP | 4.29 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 108.74 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 33.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 9-1080 | - | - | 11-57 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Leukemia | 3 | D007938 | ClinicalTrials |
| Myelodysplastic Syndromes | 2 | D009190 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 2 | D015470 | ClinicalTrials |
| Leukemia, Myelomonocytic, Chronic | 2 | D015477 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
| Hematologic Neoplasms | 1 | D019337 | ClinicalTrials |
| Multiple Myeloma | 1 | D009101 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1446502-11-9 |
| ChEBI | 145374 |
| ChEMBL | CHEMBL3989908 |
| DrugBank | DB13874 |
| DrugCentral | 5251 |
| FDA SRS | 3T1SS4E7AG |
| Guide to Pharmacology | 8960 |
| PDB | 69Q |
| PubChem | 89683805 |
| SureChEMBL | SCHEMBL15102202 |
| ZINC | ZINC000222731806 |
CONTENTS