Compound Detail
CHEMBL3962858
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Basic Information
| ChEMBL ID | CHEMBL3962858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLIXFSPGDVKMDM-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.8
MW (Da)
4.84
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.85 | 7.75 | 14.0 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 6.23 | 6.2 | 592.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 14.0 | nM | 7.85 | Antagonist activity at recombinant human P2X7 receptor expressed in human 1321N1... | 27548392 |
| P2X purinoceptor 7 | IC50 | = | 22.3 | nM | 7.65 | FLIPR Assay: 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 c... | - |
| P2X purinoceptor 7 | Ki | = | 125.9 | nM | 6.9 | Radioligand Binding Assay: human or rat P2X7-1321 N1 cells were collected and fr... | - |
| P2X purinoceptor 7 | IC50 | = | 592.0 | nM | 6.23 | Antagonist activity at recombinant rat P2X7 receptor expressed in human 1321N1 c... | 27548392 |
| P2X purinoceptor 7 | IC50 | = | 671.4 | nM | 6.17 | FLIPR Assay: 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27548392 | 10.1021/acs.jmedchem.6b00989 | P2X purinoceptor 7 | 2 |
| 27548392 | 10.1021/acs.jmedchem.6b00989 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine