| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | J89QT81NBQ |
Structure
| InChI Key | CVPTTZZCRDVGSU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H20N6O |
| Molecular Weight | 264.33 |
| AlogP | 0.16 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 101.88 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | 10000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Herpes Labialis | 3 | D006560 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 686301-48-4 |
| ChEMBL | CHEMBL4297305 |
| DrugBank | DB12716 |
| EPA CompTox | DTXSID30384648 |
| FDA SRS | J89QT81NBQ |
| PubChem | 2815031 |
| SureChEMBL | SCHEMBL13697544 |
| ZINC | ZINC000004334664 |
CONTENTS