| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 5QIO6SRZ2R |
Structure
| InChI Key | AAAQFGUYHFJNHI-SFHVURJKSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H22ClN5O2 |
| Molecular Weight | 423.9 |
| AlogP | 3.66 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 81.4 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Bromodomain and extra-terminal motif (BET) inhibitor | Other |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Reader
Bromodomain
|
440 | 20-740 | 19-99 | 23-200 | 20 | |
|
Epigenetic regulator
Writer
Histone acetyltransferase
p300/CBP family
|
- | - | 71000 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Carcinoma | 1 | D002277 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 95082 |
| ChEMBL | CHEMBL1232461 |
| DrugBank | DB16239 |
| EPA CompTox | DTXSID60677590 |
| FDA SRS | 5QIO6SRZ2R |
| Guide to Pharmacology | 7033 |
| PDB | EAM |
| SureChEMBL | SCHEMBL1872390 |
| ZINC | ZINC000058655571 |
CONTENTS