| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 0990EG3K10 |
| EPA CompTox | DTXSID5045209 |
| InChI Key | VSWPGAIWKHPTKX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H22N4O2S |
| Molecular Weight | 370.48 |
| AlogP | 2.53 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 55.89 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
| 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
Acetylcholine receptor
|
- | - | - | 1.8-50.3 | - |
| Resources | Reference |
|---|---|
| CAS NUMBER | 80880-90-6 |
| ChEBI | 92110 |
| ChEMBL | CHEMBL253978 |
| FDA SRS | 0990EG3K10 |
| Guide to Pharmacology | 8594 |
| PubChem | 5387 |
| SureChEMBL | SCHEMBL49345 |
| ZINC | ZINC000019796161 |