Synonyms: | |
Status: | Approved (1951) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | D04AA10 |
UNII: | FF28EJQ494 |
InChI Key | PWWVAXIEGOYWEE-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H20N2S |
Molecular Weight | 284.43 |
AlogP | 4.24 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 6.48 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 20.0 |
Primary Target | |
---|---|
H1 receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 6900 | - | - | 61 | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 100 | - | - | 84 | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | 5 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | 23 | - | - | - | |
Surface antigen
|
8000 | - | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 7590 | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 35100 | - | - | 71 | |
Transporter
|
- | 17700 | - | - | 71 | |
Unclassified protein
|
- | 60000 | 50000 | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pain | 3 | D010146 | ClinicalTrials |
Anxiety | 3 | D001007 | ClinicalTrials |
Migraine with Aura | 3 | D020325 | ClinicalTrials |
Migraine without Aura | 3 | D020326 | ClinicalTrials |
Hyperemesis Gravidarum | 3 | D006939 | ClinicalTrials |
Dementia | 3 | D003704 | ClinicalTrials |
Depressive Disorder | 3 | D003866 | ClinicalTrials |
Schizophrenia | 3 | D012559 | ClinicalTrials |
Nausea | 3 | D009325 | ClinicalTrials |
Vertigo | 3 | D014717 | ClinicalTrials |
Vomiting | 3 | D014839 | ClinicalTrials |
Gastroparesis | 2 | D018589 | ClinicalTrials |
Crohn Disease | 2 | D003424 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 60-87-7 |
ChEBI | 8461 |
ChEMBL | CHEMBL643 |
DrugBank | DB01069 |
DrugCentral | 2286 |
EPA CompTox | DTXSID7023518 |
FDA SRS | FF28EJQ494 |
Human Metabolome Database | HMDB0015202 |
Guide to Pharmacology | 7282 |
KEGG | C07404 |
PharmGKB | PA451128 |
PubChem | 4927 |
SureChEMBL | SCHEMBL4700 |