Compound Detail
CHEMBL4471289
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Basic Information
| ChEMBL ID | CHEMBL4471289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACIARRDYJJFASA-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
4.76
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 2.4 | nM | 8.62 | Antagonist activity at human recombinant P2X7 receptor expressed in 1321N1 cells... | 27426304 |
| P2X purinoceptor 7 | IC50 | = | 59.0 | nM | 7.23 | 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