| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | C04AB02 M02AX02 |
| UNII | CHH9H12AQ3 |
| EPA CompTox | DTXSID3023683 |
Structure
| InChI Key | JIVZKJJQOZQXQB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12N2 |
| Molecular Weight | 160.22 |
| AlogP | 1.23 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 24.39 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| 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
Adrenergic receptor
|
- | 280 | - | 180 | - |
Rattus norvegicus
Related Entries
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 28502 |
| ChEMBL | CHEMBL770 |
| DrugBank | DB00797 |
| DrugCentral | 2695 |
| FDA SRS | CHH9H12AQ3 |
| Human Metabolome Database | HMDB0014935 |
| Guide to Pharmacology | 7310 |
| KEGG | C07147 |
| PharmGKB | PA451716 |
| PubChem | 5504 |
| SureChEMBL | SCHEMBL34961 |
| ZINC | ZINC000000125006 |
CONTENTS
