Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | 32524GLF40 |
InChI Key | CWFVVQFVGMFTBD-SECBINFHSA-N | |
---|---|---|
Smiles | ||
InChI |
|
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 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
P2X purinoceptor 7 antagonist | ANTAGONIST | ClinicalTrials PubMed PubMed PubMed |
Protein: P2X purinoceptor 7 Description: P2X purinoceptor 7 Organism : Homo sapiens Q99572 ENSG00000089041 |
||||
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 | - |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL4079239 | |
DrugBank | DB15358 | |
FDA SRS | 32524GLF40 | |
PubChem | 90409366 | |
SureChEMBL | SCHEMBL16036477 |