| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UKNOWN |
| UNII: | 3K288XF5XJ |
Structure
| InChI Key | HYNBNUYQTQIHJK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H22FN3O3 |
| Molecular Weight | 395.43 |
| AlogP | 2.9 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 75.29 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 2 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL4098253 |
| EPA CompTox | DTXSID00657831 |
| FDA SRS | 3K288XF5XJ |
| Guide to Pharmacology | 8472 |
| SureChEMBL | SCHEMBL77012 |
| ZINC | ZINC000095616578 |
CONTENTS