Compound Detail
CHEMBL2048436
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Basic Information
| ChEMBL ID | CHEMBL2048436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEAJMPYJHVKTKS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
340.2
MW (Da)
3.90
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.11 | 7.0 | 77.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 77.0 | nM | 7.11 | Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as... | 22400713 |
| P2X purinoceptor 7 | IC50 | = | 130.0 | nM | 6.89 | Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhib... | 22400713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22400713 | 10.1021/jm2012326 | P2X purinoceptor 7 | 2 |
Data from ChEMBL 36 via Core Engine