| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | C02AC05 |
| UNII: | CC6X0L40GW |
Structure
| InChI Key | WPNJAUFVNXKLIM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12ClN5O |
| Molecular Weight | 241.68 |
| AlogP | 0.82 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 71.43 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
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
|
- | - | - | 1000 | - | |
|
Other cytosolic protein
|
- | 4 | - | 4-56 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Heart Diseases | 3 | D006331 | ClinicalTrials |
| Hypotension, Orthostatic | 0 | D007024 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 75438-57-2 |
| ChEBI | 7009 |
| ChEMBL | CHEMBL19236 |
| DrugBank | DB09242 |
| DrugCentral | 1856 |
| EPA CompTox | DTXSID5045170 |
| FDA SRS | CC6X0L40GW |
| Human Metabolome Database | HMDB0041938 |
| KEGG | C07451 |
| PubChem | 4810 |
| SureChEMBL | SCHEMBL49143 |
| ZINC | ZINC000001854466 |
CONTENTS