Compound Detail
CHEMBL5178892
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Basic Information
| ChEMBL ID | CHEMBL5178892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCRQGABLIRBSJX-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.09
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.08
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 7 CHEMBL4805 | IC50 | 7.75 | 7.635 | 18.0 | 2 |
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 6.04 | 6.04 | 908.0 | 1 |
| P2X purinoceptor 7 CHEMBL4805 | EC50 | 5.08 | 5.05 | 8310.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 7 | IC50 | = | 18.0 | nM | 7.75 | Antagonist activity against human P2X7R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 7 | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity against human P2X7R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 4 | IC50 | = | 908.0 | nM | 6.04 | Antagonist activity against human P2X4R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 7 | EC50 | = | 8310.0 | nM | 5.08 | Antagonist activity against human P2X7R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 7 | EC50 | = | 9140.0 | nM | 5.04 | Antagonist activity against human P2X7R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 7 | EC50 | = | 9440.0 | nM | 5.03 | Antagonist activity against human P2X7R stably transfected in human 1321N1 cells... | 35660250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35660250 | 10.1016/j.ejmech.2022.114491 | P2X purinoceptor 7 | 8 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | HeLa | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | Unchecked | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | HEK293 | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | P2X purinoceptor 2 | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | P2X purinoceptor 4 | 1 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | P2X purinoceptor 5 | 1 |
Data from ChEMBL 36 via Core Engine