Compound Detail
CHEMBL4454986
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Basic Information
| ChEMBL ID | CHEMBL4454986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXWUSPPSTINJIR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.25
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 230.0 | nM | 6.64 | Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibit... | 30528164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30528164 | 10.1016/j.bmc.2018.11.036 | P2X purinoceptor 7 | 3 |
| 30528164 | 10.1016/j.bmc.2018.11.036 | ADMET | 3 |
| 30528164 | 10.1016/j.bmc.2018.11.036 | Peritoneal macrophage | 1 |
| 30528164 | 10.1016/j.bmc.2018.11.036 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine