| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | N05CF02 |
| UNII | 7K383OQI23 |
| EPA CompTox | DTXSID7045946 |
| InChI Key | ZAFYATHCZYHLPB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H21N3O |
| Molecular Weight | 307.4 |
| AlogP | 3.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.61 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 23.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
180-737 | 14-130 | - | 19-980 | 35-35 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 78.05-177.44 |
| Resources | Reference |
|---|---|
| ChEBI | 10125 |
| ChEMBL | CHEMBL911 |
| DrugBank | DB00425 |
| DrugCentral | 2870 |
| FDA SRS | 7K383OQI23 |
| Human Metabolome Database | HMDB0005023 |
| Guide to Pharmacology | 4362 |
| KEGG | C07219 |
| PharmGKB | PA451976 |
| PubChem | 5732 |
| SureChEMBL | SCHEMBL80516 |
| ZINC | ZINC000000003876 |