Compound Detail
CHEMBL6020881
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Basic Information
| ChEMBL ID | CHEMBL6020881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONXCBAMKIXZYAD-VIFPVBQESA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.8
MW (Da)
3.25
ALogP
5
HBA
1
HBD
79.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 1.2 | nM | 8.92 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human or rat P2X7 chann... | - |
| P2X purinoceptor 7 | IC50 | = | 1.3 | nM | 8.89 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human or rat P2X7 chann... | - |
| P2X purinoceptor 7 | Ki | = | 10.0 | nM | 8.0 | Radioligand Binding: uman or rat P2X7-1321N1 cells were collected and frozen @−8... | - |
Data from ChEMBL 36 via Core Engine