Synonyms: | |
Status: | Approved (2003) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | A04AA05 |
UNII: | 5D06587D6R |
InChI Key | CPZBLNMUGSZIPR-NVXWUHKLSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H24N2O |
Molecular Weight | 296.41 |
AlogP | 2.66 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 1.0 |
Polar Surface Area | 23.55 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 22.0 |
Primary Target | |
---|---|
5-HT3A |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Auxiliary transport protein
Slow voltage-gated potassium channel accessory protein family
|
- | 50119 | - | - | - | |
Ion channel
Ligand-gated ion channel
5HT3 receptor
|
- | 1-13 | 0-1 | 0 | - | |
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 1995-3981 | - | - | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 19953 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Nausea | 4 | D009325 | ClinicalTrials |
Postoperative Nausea and Vomiting | 3 | D020250 | ClinicalTrials |
Neoplasms | 3 | D009369 | ClinicalTrials |
Postoperative Nausea and Vomiting | 3 | D020250 | ClinicalTrials |
Neoplasms | 3 | D009369 | ClinicalTrials |
Strabismus | 3 | D013285 | ClinicalTrials |
Glioma | 2 | D005910 | ClinicalTrials |
Multiple Myeloma | 2 | D009101 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Stomach Neoplasms | 2 | D013274 | ClinicalTrials |
Brain Neoplasms | 2 | D001932 | ClinicalTrials |
Vomiting | 1 | D014839 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 135729-56-5 |
ChEBI | 85161 |
ChEMBL | CHEMBL1189679 |
DrugBank | DB00377 |
DrugCentral | 2046 |
EPA CompTox | DTXSID5048342 |
FDA SRS | 5D06587D6R |
Guide to Pharmacology | 7486 |
PDB | O7B |
PubChem | 6337614 |
SureChEMBL | SCHEMBL3746 |
ZINC | ZINC000003795819 |