| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | K75ZUN743Q |
Structure
| InChI Key | XHWRWCSCBDLOLM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12N4OS |
| Molecular Weight | 284.34 |
| AlogP | 2.36 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 84.66 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 20.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | 15-16 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Liver Neoplasms | 3 | D008113 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL320775 |
| DrugBank | DB12912 |
| EPA CompTox | DTXSID3048281 |
| FDA SRS | K75ZUN743Q |
| PDB | 7Z9 |
| PubChem | 135400184 |
| SureChEMBL | SCHEMBL18489 |
| ZINC | ZINC000000008107 |
CONTENTS