| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R05CB06 |
| UNII: | 200168S0CL |
Structure
| InChI Key | JBDGDEWWOUBZPM-XYPYZODXSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18Br2N2O |
| Molecular Weight | 378.11 |
| AlogP | 3.19 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 58.28 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | 4100 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Respiratory Tract Diseases | 3 | D012140 | ClinicalTrials |
| Pharyngitis | 3 | D010612 | ClinicalTrials |
| Gaucher Disease | 2 | D005776 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Cough | 2 | D003371 | ClinicalTrials |
| Dementia | 2 | D003704 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18683-91-5 |
| ChEBI | 135590 |
| ChEMBL | CHEMBL153479 |
| DrugBank | DB06742 |
| DrugCentral | 147 |
| EPA CompTox | DTXSID8022583 |
| FDA SRS | 200168S0CL |
| Guide to Pharmacology | 10692 |
| SureChEMBL | SCHEMBL18702 |
| ZINC | ZINC000100070274 |
CONTENTS