| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | ZXE7F2GMJJ |
Structure
| InChI Key | BMMXYEBLEBULND-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C28H25F3N6O2 |
| Molecular Weight | 534.54 |
| AlogP | 4.38 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 77.21 |
| Molecular species | BASE |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 39.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 38 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Hamartoma Syndrome, Multiple | 1 | D006223 | ClinicalTrials |
| Breast Neoplasms | 1 | D001943 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 71967 |
| ChEMBL | CHEMBL3218578 |
| EPA CompTox | DTXSID60238600 |
| FDA SRS | ZXE7F2GMJJ |
| Guide to Pharmacology | 7951 |
| SureChEMBL | SCHEMBL146939 |
| ZINC | ZINC000073069304 |
| ChEBI | 71953 |
| ChEMBL | CHEMBL3545096 |
| FDA SRS | 4YG62LG876 |
| SureChEMBL | SCHEMBL996046 |
CONTENTS