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 |