| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | Q36R82SXRG |
Structure
| InChI Key | PWWDCRQZITYKDV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H20N4 |
| Molecular Weight | 292.39 |
| AlogP | 2.49 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 33.09 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
5HT3 receptor
|
- | - | - | 1-1 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Postoperative Nausea and Vomiting | 3 | D020250 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 143257-98-1 |
| ChEMBL | CHEMBL56900 |
| DrugBank | DB12964 |
| EPA CompTox | DTXSID90162368 |
| FDA SRS | Q36R82SXRG |
| PubChem | 65997 |
| SureChEMBL | SCHEMBL141124 |
| ZINC | ZINC000000007943 |
CONTENTS