Compound Detail
CHEMBL570854
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Cc1ccc(CN2C[C@H](COC(=O)c3cccc4cnccc34)NC(=O)c3nn(CCc4ccccc4)cc32)cc1
Basic Information
| ChEMBL ID | CHEMBL570854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQALFDPTBOVJCB-HHHXNRCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
4.96
ALogP
7
HBA
1
HBD
89.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 1180.0 | nM | 5.93 | Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as... | 19800793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19800793 | 10.1016/j.bmcl.2009.09.053 | P2X purinoceptor 7 | 3 |
Data from ChEMBL 36 via Core Engine