Compound Detail
CHEMBL4450832
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Basic Information
| ChEMBL ID | CHEMBL4450832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBZLWTBYRCYMJK-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.9
MW (Da)
5.54
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 8.5 | nM | 8.07 | Antagonist activity at human recombinant P2X7 receptor expressed in 1321N1 cells... | 27426304 |
| P2X purinoceptor 7 | IC50 | = | 20.0 | nM | 7.7 | Antagonist activity at rat P2X7 receptor expressed in 1321N1 cells assessed as i... | 27426304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27426304 | 10.1016/j.bmcl.2016.06.048 | P2X purinoceptor 7 | 2 |
| 27426304 | 10.1016/j.bmcl.2016.06.048 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine