| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N05AL07 |
| UNII: | JTG7R315LK |
| InChI Key | BGRJTUBHPOOWDU-NSHDSACASA-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 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Dopamine D2 receptor antagonist | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Lyase
|
- | - | - | - | 38-50 | |
|
Enzyme
Oxidoreductase
|
- | 7680 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | - | - | 15000 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 170-233 | - | 7-39 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | - | 27000 | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Psychomotor Agitation | 2 | D011595 | ClinicalTrials |
| Dyspepsia | 1 | D004415 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEBI | 64119 |
| ChEMBL | CHEMBL267044 |
| DrugBank | DB16021 |
| DrugCentral | 1577 |
| EPA CompTox | DTXSID0042583 |
| FDA SRS | JTG7R315LK |
| Guide to Pharmacology | 958 |
| PubChem | 688272 |
| SureChEMBL | SCHEMBL70112 |
| ZINC | ZINC000000057008 |