Compound Detail
CHEMBL4166558
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Basic Information
| ChEMBL ID | CHEMBL4166558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTJJXFWARULNTO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.2
MW (Da)
3.89
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 6.5 | 6.5 | 316.0 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.21 | 6.21 | 621.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 317.0 | nM | 6.5 | Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages asses... | 28858765 |
| P2X purinoceptor 7 | IC50 | = | 316.0 | nM | 6.5 | Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages asses... | 28858765 |
| P2X purinoceptor 7 | IC50 | = | 621.0 | nM | 6.21 | Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as... | 28858765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28858765 | 10.1016/j.ejmech.2017.08.034 | P2X purinoceptor 7 | 6 |
| 28858765 | 10.1016/j.ejmech.2017.08.034 | Peritoneal macrophage | 2 |
Data from ChEMBL 36 via Core Engine