| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | R612XR8A9F |
Structure
| InChI Key | BOYLPLUVCXUHDJ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H22Cl2N4O |
| Molecular Weight | 369.3 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 72.94 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Histamine H1 receptor antagonist |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | - | - | 19 | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL539843 |
| DrugBank | DB05738 |
| EPA CompTox | DTXSID20182211 |
| FDA SRS | R612XR8A9F |
| PubChem | 9842251 |
| SureChEMBL | SCHEMBL3463472 |
CONTENTS