Compound Detail
CHEMBL5425082
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Basic Information
| ChEMBL ID | CHEMBL5425082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQEUJLBNTRSYME-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.28
ALogP
7
HBA
1
HBD
81.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 100.0 | nM | 7.0 | Antagonist activity at human P2X7 receptor expressed in 1321N1 cells by FLIPR as... | 36893624 |
| P2X purinoceptor 7 | IC50 | = | 100.0 | nM | 7.0 | Antagonist activity at human P2X7 receptor | 37582195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36893624 | 10.1016/j.ejmech.2023.115234 | P2X purinoceptor 7 | 1 |
| 37582195 | 10.1021/acs.jmedchem.3c00837 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine