| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | L31MM1385E |
Structure
| InChI Key | LVASCWIMLIKXLA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H17BrClN3O3 |
| Molecular Weight | 414.69 |
| AlogP | 1.88 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 84.22 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | -9.232-12.99 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -23.17--3.46 | |
|
Transcription factor
|
- | 22.3-37.2 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Muscular Dystrophy, Duchenne | 2 | D020388 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 184758 |
| ChEMBL | CHEMBL1197091 |
| FDA SRS | L31MM1385E |
| Human Metabolome Database | HMDB31784 |
| Guide to Pharmacology | 10153 |
| PubChem | 62894 |
| SureChEMBL | SCHEMBL1937106 |
CONTENTS