Compound Detail
CHEMBL5923358
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Basic Information
| ChEMBL ID | CHEMBL5923358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOUUTQMOXWSZSL-LBPRGKRZSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.8
MW (Da)
3.84
ALogP
6
HBA
0
HBD
76.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.52
Ki 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 9.52 | 9.52 | 0.3 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | Ki | 8.89 | 8.89 | 1.3 | 2 |
| P2X purinoceptor 7 CHEMBL5183 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
| P2X purinoceptor 7 CHEMBL5183 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 0.3 | nM | 9.52 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human, rat or mouse P2X... | - |
| P2X purinoceptor 7 | IC50 | = | 0.3 | nM | 9.52 | P2X7 FLIPR Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chan... | - |
| P2X purinoceptor 7 | Ki | = | 1.3 | nM | 8.89 | Radioligand binding assay: human or rat P2X7-1321N1 cells were collected and fro... | - |
| P2X purinoceptor 7 | Ki | = | 1.3 | nM | 8.89 | P2X7 Radioligand Binding: human or rat P2X7-1321N1 cells were collected and froz... | - |
| P2X purinoceptor 7 | Ki | = | 1.3 | nM | 8.89 | P2X7 Radioligand Binding: human or rat P2X7-1321N1 cells were collected and froz... | - |
| P2X purinoceptor 7 | IC50 | = | 10.3 | nM | 7.99 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human, rat or mouse P2X... | - |
| P2X purinoceptor 7 | IC50 | = | 10.3 | nM | 7.99 | P2X7 FLIPR Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chan... | - |
Data from ChEMBL 36 via Core Engine