Compound Detail
CHEMBL5440534
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Basic Information
| ChEMBL ID | CHEMBL5440534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEDHUVSMIYTDDQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
2.79
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 3.0 | nM | 8.52 | Antagonist activity at human P2X7 receptor expressed in 1321N1 cells by FLIPR as... | 36893624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36893624 | 10.1016/j.ejmech.2023.115234 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine