Compound Detail
CHEMBL5430904
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Basic Information
| ChEMBL ID | CHEMBL5430904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTGJBUYBYRDUIY-KSKOPSKJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.10
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 9.82 | 8.395 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 0.15 | nM | 9.82 | Inhibition of P2X7 (unknown origin) assessed as reduction in IL-1 beta release | 36893624 |
| P2X purinoceptor 7 | IC50 | = | 107.0 | nM | 6.97 | Inhibition of P2X7 in human THP-1cells assessed as reduction in YO-PRO-1 iodide ... | 36893624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36893624 | 10.1016/j.ejmech.2023.115234 | P2X purinoceptor 7 | 2 |
Data from ChEMBL 36 via Core Engine