| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | RE0689TX2K |
Structure
| InChI Key | ZBFDAUIVDSSISP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H18N4O3S |
| Molecular Weight | 346.41 |
| AlogP | 2.29 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 89.99 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 20000 | - | - | - | |
|
Enzyme
Oxidoreductase
|
- | 1800 | - | - | - | |
|
Enzyme
|
- | 1800 | - | - | 35 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Esophagitis, Peptic | 2 | D004942 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 94379 |
| ChEMBL | CHEMBL1475252 |
| EPA CompTox | DTXSID1046687 |
| FDA SRS | RE0689TX2K |
| PubChem | 636411 |
| SureChEMBL | SCHEMBL323288 |
CONTENTS