| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1951) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | R61ZEH7I1I |
| Parent Compound: | PROMETHAZINE |
Structure
| InChI Key | XXPDBLUZJRXNNZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H21ClN2S |
| Molecular Weight | 320.89 |
| 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 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Histamine H1 receptor antagonist | DailyMed |
| 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
|
- | - | - | - | 69 |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Sleep Initiation and Maintenance Disorders | 3 | D007319 | ClinicalTrials |
| Migraine with Aura | 3 | D020325 | ClinicalTrials |
| Migraine without Aura | 3 | D020326 | ClinicalTrials |
| Hyperemesis Gravidarum | 3 | D006939 | ClinicalTrials |
| Hypersensitivity | 1 | D006967 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 8462 |
| ChEMBL | CHEMBL1200750 |
| EPA CompTox | DTXSID3021192 |
| FDA SRS | R61ZEH7I1I |
| PubChem | 6014 |
| SureChEMBL | SCHEMBL41904 |
CONTENTS