| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2000) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 6871619Q5X |
| Parent Compound: | PANTOPRAZOLE |
Structure
| InChI Key | YNWDKZIIWCEDEE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16F2N3NaO5S |
| Molecular Weight | 423.37 |
| AlogP | 2.88 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 86.33 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Potassium-transporting ATPase inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 94.78 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -6.01-28.18 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Lecithin Cholesterol Acyltransferase Deficiency | 1 | D007863 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3989559 |
| FDA SRS | 6871619Q5X |
| PubChem | 11954257 |
CONTENTS