| Synonyms: | |
| Status: | Approved (1998) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N02CC04 |
| UNII: | 51086HBW8G |
Structure
| InChI Key | ULFRLSNUDGIQQP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H19N5 |
| Molecular Weight | 269.35 |
| AlogP | 1.91 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 49.74 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 20.0 |
Pharmacology
| Primary Target | |
|---|---|
| 5-HT1B receptor | |
| 5-HT1D receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
5HT3 receptor
|
- | 3981 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Lipid-like ligand receptor (family A GPCR)
Leukotriene receptor
|
- | - | - | - | 27 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
3-8 | 11-79 | - | 4-40 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Migraine Disorders | 4 | D008881 | ClinicalTrials |
| Migraine with Aura | 3 | D020325 | ClinicalTrials |
| Migraine without Aura | 3 | D020326 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 144034-80-0 |
| ChEBI | 48273 |
| ChEMBL | CHEMBL905 |
| DrugBank | DB00953 |
| DrugCentral | 2393 |
| EPA CompTox | DTXSID2023565 |
| FDA SRS | 51086HBW8G |
| Human Metabolome Database | HMDB0015088 |
| Guide to Pharmacology | 51 |
| PharmGKB | PA451264 |
| PubChem | 5078 |
| SureChEMBL | SCHEMBL26662 |
| ZINC | ZINC000000005895 |
CONTENTS