Synonyms: | |
Status: | Approved (1992) |
Entry Type: | Small molecule |
Molecule Category: | UKNOWN |
ATC: | N02CC01 |
UNII: | 8R78F6L9VO |
InChI Key | KQKPFRSPSRPDEB-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C14H21N3O2S |
Molecular Weight | 295.41 |
AlogP | 1.32 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 65.2 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 20.0 |
Action | Mechanism of Action | Reference |
---|---|---|
AGONIST | Serotonin 1b (5-HT1b) receptor agonist | FDA |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Ligand-gated ion channel
5HT3 receptor
|
- | 9 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
4-220 | 3-2400 | 398 | 1-30 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC47 family of multidrug and toxin extrusion transporters
|
- | 6700 | - | - | 7 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Migraine with Aura | 3 | D020325 | ClinicalTrials |
Migraine without Aura | 3 | D020326 | ClinicalTrials |
Obesity | 0 | D009765 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 10650 |
ChEMBL | CHEMBL128 |
DrugBank | DB00669 |
DrugCentral | 2543 |
EPA CompTox | DTXSID4023628 |
FDA SRS | 8R78F6L9VO |
Human Metabolome Database | HMDB0005037 |
Guide to Pharmacology | 54 |
KEGG | C07319 |
PharmGKB | PA451566 |
SureChEMBL | SCHEMBL1482 |
ZINC | ZINC000000014360 |