Compound Detail
CHEMBL5440566
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5440566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYHDBGOTFRVUIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.2
MW (Da)
3.40
ALogP
3
HBA
1
HBD
62.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 199.5 | nM | 6.7 | Antagonist activity at human P2X7 receptor | 37582195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37582195 | 10.1021/acs.jmedchem.3c00837 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine