Compound Detail
CHEMBL3674070
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Basic Information
| ChEMBL ID | CHEMBL3674070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEKWDINLYPTBEH-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
422.8
MW (Da)
3.24
ALogP
6
HBA
0
HBD
76.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL2496 | IC50 | 8.1 | 8.1 | 7.9 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.8 | 7.8 | 15.8 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | Ki | 7.4 | 7.4 | 39.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 7.9 | nM | 8.1 | FLIPR Assay: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 ch... | - |
| P2X purinoceptor 7 | IC50 | = | 7.9 | nM | 8.1 | Ca2+ Flux assay: 1321N1 cells expressing the recombinant human or rat P2X7 chann... | - |
| P2X purinoceptor 7 | IC50 | = | 15.8 | nM | 7.8 | FLIPR Assay: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 ch... | - |
| P2X purinoceptor 7 | IC50 | = | 15.8 | nM | 7.8 | Ca2+ Flux assay: 1321N1 cells expressing the recombinant human or rat P2X7 chann... | - |
| P2X purinoceptor 7 | Ki | = | 39.8 | nM | 7.4 | Radioligand Binding Assay: human or rat P2X7-1321N1 cells were collected and fro... | - |
| P2X purinoceptor 7 | Ki | = | 39.8 | nM | 7.4 | Radioligand binding assay: Human or rat P2X7-1321 N1 cells were collected and fr... | - |
Data from ChEMBL 36 via Core Engine