Compound Detail
CHEMBL5440646
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Basic Information
| ChEMBL ID | CHEMBL5440646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMSZIHRCHUYDJD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
303.7
MW (Da)
1.69
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 1100.0 | nM | 5.96 | Antagonist activity at human P2X7 receptor | 37582195 |
| P2X purinoceptor 7 | IC50 | = | 1500.0 | nM | 5.82 | Antagonist activity at mouse P2X7 receptor | 37582195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37582195 | 10.1021/acs.jmedchem.3c00837 | P2X purinoceptor 7 | 2 |
Data from ChEMBL 36 via Core Engine