Compound Detail
CHEMBL4160756
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Basic Information
| ChEMBL ID | CHEMBL4160756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNRRRVKDFFXKOI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
4.80
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.47 | 6.445 | 335.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 335.0 | nM | 6.47 | Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells as... | 29649742 |
| P2X purinoceptor 7 | IC50 | = | 385.0 | nM | 6.42 | Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as... | 29649742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29649742 | 10.1016/j.ejmech.2018.03.023 | P2X purinoceptor 7 | 4 |
| 29649742 | 10.1016/j.ejmech.2018.03.023 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine