| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | G04CA01 |
| UNII | 90347YTW5F |
| EPA CompTox | DTXSID6048549 |
| InChI Key | WNMJYKCGWZFFKR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H27N5O4 |
| Molecular Weight | 389.46 |
| AlogP | 1.35 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 111.83 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 28.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 18 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | - | 4.898-218.78 | 2.8-23 | - |
| Resources | Reference |
|---|---|
| ChEBI | 51141 |
| ChEMBL | CHEMBL709 |
| DrugBank | DB00346 |
| DrugCentral | 115 |
| FDA SRS | 90347YTW5F |
| Human Metabolome Database | HMDB0014490 |
| Guide to Pharmacology | 7109 |
| PharmGKB | PA164774795 |
| PubChem | 2092 |
| SureChEMBL | SCHEMBL34477 |