| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 32524GLF40 |
Structure
| InChI Key | CWFVVQFVGMFTBD-SECBINFHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H13ClF4N6O |
| Molecular Weight | 440.79 |
| AlogP | 3.63 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 76.8 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | P2X purinoceptor 7 antagonist | ClinicalTrials PubMed PubMed PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C8
|
- | 9600 | - | - | - | |
|
Ion channel
Ligand-gated ion channel
P2X receptor
|
- | 4-20 | - | 5 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Depressive Disorder, Major | 1 | D003865 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1627902-21-9 |
| ChEMBL | CHEMBL4079239 |
| DrugBank | DB15358 |
| FDA SRS | 32524GLF40 |
| PubChem | 90409366 |
| SureChEMBL | SCHEMBL16036477 |
CONTENTS