| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 7ZRO0SC54Y |
Structure
| InChI Key | NTHPAPBPFQJABD-LLVKDONJSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H17N3O |
| Molecular Weight | 279.34 |
| AlogP | 2.89 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 50.68 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
5HT3 receptor
|
- | - | - | 0 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Postoperative Nausea and Vomiting | 3 | D020250 | ClinicalTrials |
| Nausea | 3 | D009325 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Vomiting | 3 | D014839 | ClinicalTrials |
| Nausea | 3 | D009325 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 132036-88-5 |
| ChEBI | 135156 |
| ChEMBL | CHEMBL1643895 |
| DrugBank | DB09290 |
| DrugCentral | 2357 |
| EPA CompTox | DTXSID0043842 |
| FDA SRS | 7ZRO0SC54Y |
| Guide to Pharmacology | 2301 |
| PubChem | 108000 |
| SureChEMBL | SCHEMBL16701 |
| ZINC | ZINC000005116719 |
CONTENTS