Compound Detail
CHEMBL5076226
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Basic Information
| ChEMBL ID | CHEMBL5076226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRCJOYNWPJLMEA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
6.12
ALogP
2
HBA
2
HBD
64.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.31 | 6.31 | 489.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 489.78 | nM | 6.31 | Antagonist activity at human P2X7R expressed in HEK293 cells assessed as reducti... | 34571173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34571173 | 10.1016/j.ejmech.2021.113838 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine