| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05AL01 |
| UNII: | 7MNE9M8287 |
| InChI Key | BGRJTUBHPOOWDU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H23N3O4S |
| Molecular Weight | 341.43 |
| AlogP | 0.56 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 101.73 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 23.0 |
| Primary Target | |
|---|---|
| D2 receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Lyase
|
- | 1200 | - | 40-40 | - | |
|
Enzyme
|
- | 1200 | - | 40-40 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 33-233 | 2 | 6-240 | 88 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 106 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 15676-16-1 |
| ChEBI | 32168 |
| ChEMBL | CHEMBL26 |
| DrugBank | DB00391 |
| DrugCentral | 2537 |
| EPA CompTox | DTXSID1042574 |
| FDA SRS | 7MNE9M8287 |
| Human Metabolome Database | HMDB0014535 |
| Guide to Pharmacology | 5501 |
| PharmGKB | PA164745485 |
| PubChem | 5355 |
| SureChEMBL | SCHEMBL8421 |