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 |