Compound Detail
CHEMBL3663236
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Basic Information
| ChEMBL ID | CHEMBL3663236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQOFBMRYRWSLBY-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.8
MW (Da)
3.67
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | Ki | 8.0 | 8.0 | 10.0 | 2 |
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.3 | 7.3 | 50.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | Ki | = | 10.0 | nM | 8.0 | Radioligand Binding Assay: Radioligand binding: human or rat P2X7-1321N1 cells w... | - |
| P2X purinoceptor 7 | Ki | = | 10.0 | nM | 8.0 | Radioligand binding assay: human or rat P2X7-1321N1 cells were collected and fro... | - |
| P2X purinoceptor 7 | IC50 | = | 50.2 | nM | 7.3 | FLIPR Assay: Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mo... | - |
| P2X purinoceptor 7 | IC50 | = | 50.2 | nM | 7.3 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human, rat or mouse P2X... | - |
Data from ChEMBL 36 via Core Engine