Compound Detail
CHEMBL5173949
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Basic Information
| ChEMBL ID | CHEMBL5173949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRQMLRZIEVRNSP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.55
ALogP
5
HBA
2
HBD
68.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.43 | 5.43 | 3672.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 3672.0 | nM | 5.43 | Antagonist activity against human P2X4R stably transfected in human 1321N1 cells... | 35660250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 35660250 | 10.1016/j.ejmech.2022.114491 | P2X purinoceptor 7 | 1 |
Data from ChEMBL 36 via Core Engine