Compound Detail
CHEMBL5206955
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 | CHEMBL5206955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWMPXLZQPRTIQF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
5.50
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.39 | 5.39 | 4024.0 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.34 | 5.34 | 4530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 4024.0 | nM | 5.39 | Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells asses... | 35123298 |
| P2X purinoceptor 4 | IC50 | = | 4530.0 | nM | 5.34 | Antagonist activity at human P2X4 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 4 | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | P2X purinoceptor 7 | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | P2X purinoceptor 2 | 1 |
| 35123298 | 10.1016/j.ejmech.2022.114162 | P2X purinoceptor 5 | 1 |
Data from ChEMBL 36 via Core Engine