Synonyms: | |
Status: | Approved (2002) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N02CC06 |
UNII: | 22QOO9B8KI |
InChI Key | PWVXXGRKLHYWKM-LJQANCHMSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C22H26N2O2S |
Molecular Weight | 382.53 |
AlogP | 3.82 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 53.17 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 27.0 |
Primary Target | |
---|---|
5-HT1B receptor | |
5-HT1D receptor | |
5-HT1F receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 0 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Migraine Disorders | 4 | D008881 | ClinicalTrials |
Migraine without Aura | 3 | D020326 | ClinicalTrials |
Migraine with Aura | 3 | D020325 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 143322-58-1 |
ChEBI | 50922 |
ChEMBL | CHEMBL1510 |
DrugBank | DB00216 |
DrugCentral | 995 |
EPA CompTox | DTXSID9046861 |
FDA SRS | 22QOO9B8KI |
Human Metabolome Database | HMDB0014361 |
Guide to Pharmacology | 40 |
PharmGKB | PA134687947 |
PubChem | 77993 |
SureChEMBL | SCHEMBL26719 |
ZINC | ZINC000003823475 |