| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1956) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05AB04 |
| UNII: | YHP6YLT61T |
Structure
| InChI Key | WIKYUJGCLQQFNW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H24ClN3S |
| Molecular Weight | 373.95 |
| AlogP | 4.58 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 9.72 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Primary Target | |
|---|---|
| D2 receptor | |
| D3 receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 49600 | - | - | 67 | |
|
Transporter
|
- | 1700 | - | - | 67 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Genital Neoplasms, Female | 3 | D005833 | ClinicalTrials |
| Nausea | 3 | D009325 | ClinicalTrials |
| Headache | 3 | D006261 | ClinicalTrials |
| Nausea | 3 | D009325 | ClinicalTrials |
| Migraine Disorders | 3 | D008881 | ClinicalTrials |
| Cardiotoxicity | 1 | D066126 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 58-38-8 |
| ChEBI | 8435 |
| ChEMBL | CHEMBL728 |
| DrugBank | DB00433 |
| DrugCentral | 2274 |
| EPA CompTox | DTXSID7023514 |
| FDA SRS | YHP6YLT61T |
| Human Metabolome Database | HMDB0014577 |
| Guide to Pharmacology | 7279 |
| KEGG | C07403 |
| PDB | P77 |
| PharmGKB | PA451114 |
| PubChem | 4917 |
| SureChEMBL | SCHEMBL18429 |
| ZINC | ZINC000019796018 |
CONTENTS