| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 5L84K4IEN9 |
Structure
| InChI Key | CLGCHUKGBICQTE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H17F3N8 |
| Molecular Weight | 414.4 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 77.03 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Phosphodiesterase
Phosphodiesterase 2
Phosphodiesterase 2A
|
- | 1-2 | - | 4 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 1 | D012559 | ClinicalTrials |
| Migraine Disorders | 1 | D008881 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1394033-54-5 |
| ChEMBL | CHEMBL3092562 |
| DrugBank | DB14885 |
| FDA SRS | 5L84K4IEN9 |
| PubChem | 60143346 |
| SureChEMBL | SCHEMBL11971205 |
| ZINC | ZINC000103257178 |
CONTENTS