Compound Detail
CHEMBL401531
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Basic Information
| ChEMBL ID | CHEMBL401531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJYHSTPOBFAJMD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.3
MW (Da)
5.37
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.33 | 7.33 | 46.8 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 46.77 | nM | 7.33 | Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of... | 18272366 |
| P2X purinoceptor 7 | IC50 | = | 158.49 | nM | 6.8 | Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of B... | 18272366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18272366 | 10.1016/j.bmcl.2008.01.095 | P2X purinoceptor 7 | 2 |
Data from ChEMBL 36 via Core Engine