Compound Detail
CHEMBL551301
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Basic Information
| ChEMBL ID | CHEMBL551301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSAYOFQTMTVUIZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.57
ALogP
4
HBA
3
HBD
74.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 7.943 | nM | 8.1 | Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition ... | 19191585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19191585 | 10.1021/jm801528x | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine