Compound Detail
CHEMBL571076
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1cc(CN2C[C@H](COC(=O)c3cn(C)c4ccccc34)NC(=O)c3nn(CCc4ccccc4)cc32)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL571076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVRFZEYZVLZWLD-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
586.7
MW (Da)
5.08
ALogP
8
HBA
1
HBD
86.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.97 | 5.97 | 1070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 1070.0 | nM | 5.97 | 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