Compound Detail
CHEMBL245972
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Basic Information
| ChEMBL ID | CHEMBL245972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHPUGKNAHWJLJN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.2
MW (Da)
4.32
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.88 | 6.88 | 131.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 131.83 | nM | 6.88 | Antagonist activity at human recombinant P2X7 receptor | 17482819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17482819 | 10.1016/j.bmcl.2007.04.075 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine