| Synonyms: | |
| Status: | Approved (1987) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | S01EA03 |
| UNII: | 843CEN85DI |
Structure
| InChI Key | IEJXVRYNEISIKR-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10Cl2N4 |
| Molecular Weight | 245.11 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 62.44 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
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
|
180 | 4 | - | 180 | - |
Indications
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 2788 |
| ChEMBL | CHEMBL647 |
| DrugBank | DB00964 |
| DrugCentral | 229 |
| EPA CompTox | DTXSID1048415 |
| FDA SRS | 843CEN85DI |
| Human Metabolome Database | HMDB0015099 |
| Guide to Pharmacology | 7117 |
| KEGG | C07668 |
| PharmGKB | PA164748866 |
| PubChem | 2216 |
| SureChEMBL | SCHEMBL34127 |
| ZINC | ZINC000000020231 |
CONTENTS