| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | W758F1L9ND |
Structure
| InChI Key | AMSUHYUVOVCWTP-INIZCTEOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H22N4O3 |
| Molecular Weight | 438.49 |
| AlogP | 5.68 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 94.04 |
| Molecular species | ACID |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 33.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Reader
Bromodomain
|
- | - | 2-6 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Graft vs Host Disease | 1 | D006086 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL4521078 |
| FDA SRS | W758F1L9ND |
| PDB | 6JF |
| PubChem | 90448953 |
| SureChEMBL | SCHEMBL16085681 |
CONTENTS