Compound Detail
CHEMBL5174645
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Basic Information
| ChEMBL ID | CHEMBL5174645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEKJKZCGDQUUPW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
399.3
MW (Da)
4.73
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 2 CHEMBL2531 | IC50 | 5.97 | 5.97 | 1061.0 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.89 | 5.89 | 1282.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.61 | 5.61 | 2453.0 | 1 |
| P2X purinoceptor 5 CHEMBL4942 | IC50 | 4.91 | 4.91 | 12339.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 2 | IC50 | = | 1061.0 | nM | 5.97 | Antagonist activity at human P2X2 receptor expressed in human 1321N1 cells asses... | 35123298 |
| P2X purinoceptor 4 | IC50 | = | 1282.0 | nM | 5.89 | Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells asses... | 35123298 |
| P2X purinoceptor 7 | IC50 | = | 2453.0 | nM | 5.61 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 35123298 |
| P2X purinoceptor 5 | IC50 | = | 12339.0 | nM | 4.91 | Antagonist activity at human P2X5 receptor expressed in human 1321N1 cells asses... | 35123298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35123298 | 10.1016/j.ejmech.2022.114162 | Unchecked | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | HEK293 | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | HeLa | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | P2X purinoceptor 2 | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | P2X purinoceptor 4 | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | P2X purinoceptor 5 | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine