Compound Detail
CHEMBL1779493
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Basic Information
| ChEMBL ID | CHEMBL1779493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTOKNUCBIPKXEZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
350.8
MW (Da)
1.74
ALogP
5
HBA
2
HBD
96.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 1100.0 | nM | 5.96 | Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed ... | 21565499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21565499 | 10.1016/j.bmcl.2011.04.077 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine