| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1991) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | NMH84OZK2B |
| Parent Compound: | ONDANSETRON |
Structure
| InChI Key | MKBLHFILKIKSQM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H24ClN3O3 |
| Molecular Weight | 365.86 |
| AlogP | 3.13 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 39.82 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Serotonin 3a (5-HT3a) receptor antagonist |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 21.99 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -41.31--4.62 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Nausea | 4 | D009325 | ClinicalTrials |
| Pain | 3 | D010146 | ClinicalTrials |
| Mycobacterium avium-intracellulare Infection | 2 | D015270 | ClinicalTrials |
| Lecithin Cholesterol Acyltransferase Deficiency | 1 | D007863 | ClinicalTrials |
| Brain Concussion | 1 | D001924 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 7774 |
| ChEMBL | CHEMBL3186492 |
| EPA CompTox | DTXSID9048857 |
| FDA SRS | NMH84OZK2B |
| PubChem | 59774 |
| SureChEMBL | SCHEMBL25018 |
CONTENTS