| Synonyms: | |
| Status: | Approved (2020) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N05CD14 |
| UNII: | 7V4A8U16MB |
Structure
| InChI Key | CYHWMBVXXDIZNZ-KRWDZBQOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H19BrN4O2 |
| Molecular Weight | 439.31 |
| AlogP | 4.18 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 69.37 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 19.08 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 2.58-22.84 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 2 | D054198 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Substance-Related Disorders | 1 | D019966 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL4297526 |
| DrugBank | DB12404 |
| FDA SRS | 7V4A8U16MB |
| SureChEMBL | SCHEMBL846435 |
| ZINC | ZINC000003927450 |
CONTENTS