| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | AB5K82X98Y |
Structure
| InChI Key | IHOVFYSQUDPMCN-DBEBIPAYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C32H31F2N3O2 |
| Molecular Weight | 527.62 |
| AlogP | 5.21 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 48.83 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 39.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 59 | - | - | 40-58 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Leukemia | 1 | D007938 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 167354-41-8 |
| ChEMBL | CHEMBL444172 |
| DrugBank | DB06191 |
| EPA CompTox | DTXSID9057894 |
| FDA SRS | AB5K82X98Y |
| PDB | ZQU |
| SureChEMBL | SCHEMBL12432743 |
| ZINC | ZINC000100029945 |
CONTENTS