| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8A49OSO368 |
Structure
| InChI Key | LLXISKGBWFTGEI-FQEVSTJZSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H22F2N4O2S |
| Molecular Weight | 420.49 |
| AlogP | 3.88 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 71.16 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Other cytosolic protein
|
- | 6-18 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Myeloma | 2 | D009101 | ClinicalTrials |
| Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Leukemia, Plasma Cell | 1 | D007952 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 885060-09-3 |
| ChEMBL | CHEMBL2347655 |
| DrugBank | DB06040 |
| EPA CompTox | DTXSID50237086 |
| FDA SRS | 8A49OSO368 |
| PDB | GCE |
| PubChem | 44224257 |
| SureChEMBL | SCHEMBL368043 |
| ZINC | ZINC000043204022 |
CONTENTS