| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | N02CC03 |
| UNII | 2FS66TH3YW |
| EPA CompTox | DTXSID8045933 |
| InChI Key | ULSDMUVEXKOYBU-ZDUSSCGKSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H21N3O2 |
| Molecular Weight | 287.36 |
| AlogP | 1.92 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 57.36 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Serotonin 1b (5-HT1b) receptor agonist | AGONIST | FDA |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 13.55 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | - | 7 | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | 0.04-0.3 | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
15.7 | 2.818-6.166 | 1.5-1.8 | 0.76-124 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 95.98-102.48 |
|
Protein: Serotonin 1d (5-HT1d) receptor Description: 5-hydroxytryptamine receptor 1D Organism : Homo sapiens P28221 ENSG00000179546 |
||||
|
Protein: Serotonin 1b (5-HT1b) receptor Description: 5-hydroxytryptamine receptor 1B Organism : Homo sapiens P28222 ENSG00000135312 |
||||
| Resources | Reference |
|---|---|
| ChEBI | 10124 |
| ChEMBL | CHEMBL1185 |
| DrugBank | DB00315 |
| DrugCentral | 2869 |
| FDA SRS | 2FS66TH3YW |
| Human Metabolome Database | HMDB0014460 |
| Guide to Pharmacology | 60 |
| KEGG | C07218 |
| PubChem | 60857 |
| SureChEMBL | SCHEMBL33336 |
| ZINC | ZINC000000015515 |