| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UKNOWN |
| UNII: | 15XUH0X66N |
Structure
| InChI Key | HNONEKILPDHFOL-UHFFFAOYSA-M |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H16ClN3S |
| Molecular Weight | 305.83 |
| AlogP | 3.69 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.15 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Other cytosolic protein
|
- | 69 | - | 69 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Dental Caries | 1 | D003731 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 87647 |
| ChEMBL | CHEMBL1790006 |
| EPA CompTox | DTXSID9048728 |
| FDA SRS | 15XUH0X66N |
| SureChEMBL | SCHEMBL122592 |
CONTENTS