Compound Detail
CHEMBL3663300
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Basic Information
| ChEMBL ID | CHEMBL3663300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUKORMZTLKMSRI-LBPRGKRZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
1.78
ALogP
6
HBA
0
HBD
76.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 5.16 | 5.055 | 6960.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 6960.0 | nM | 5.16 | Antagonist activity at human P2X7 receptor expressed in 1321N1 cells assessed as... | 26707399 |
| P2X purinoceptor 7 | IC50 | = | 9616.1 | nM | 5.02 | FLIPR Assay: Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mo... | - |
| P2X purinoceptor 7 | IC50 | = | 9616.0 | nM | 5.02 | Ca2+ flux assay: 1321N1 cells expressing the recombinant human, rat or mouse P2X... | - |
| P2X purinoceptor 7 | IC50 | = | 9616.0 | nM | 5.02 | P2X7 FLIPR Assay: 1321N1 cells expressing the recombinant human or rat P2X7 chan... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26707399 | 10.1016/j.bmcl.2015.12.052 | P2X purinoceptor 7 | 2 |
Data from ChEMBL 36 via Core Engine