Compound Detail
CHEMBL5175938
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Basic Information
| ChEMBL ID | CHEMBL5175938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMNLAJCOXCELDJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
4.28
ALogP
4
HBA
2
HBD
84.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.89 | 5.89 | 1290.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
| P2X purinoceptor 2 CHEMBL2531 | IC50 | 5.34 | 5.34 | 4576.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 1290.0 | nM | 5.89 | Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells asses... | 35123298 |
| P2X purinoceptor 7 | IC50 | = | 2530.0 | nM | 5.6 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 35123298 |
| P2X purinoceptor 2 | IC50 | = | 4576.0 | nM | 5.34 | Antagonist activity at human P2X2 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 7 | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | P2X purinoceptor 5 | 1 |
Data from ChEMBL 36 via Core Engine