| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 510M006KO6 |
| EPA CompTox | DTXSID5048425 |
Structure
| InChI Key | WVLHGCRWEHCIOT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.27 |
| AlogP | 0.87 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 33.73 |
| Molecular species | BASE |
| 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
Serotonin receptor
|
- | - | - | 9.333-53.7 | - |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL282614 |
| DrugBank | DB12883 |
| FDA SRS | 510M006KO6 |
| PubChem | 65853 |
| SureChEMBL | SCHEMBL177715 |
| ZINC | ZINC000000001347 |
CONTENTS
