Compound Detail
CHEMBL5191762
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Basic Information
| ChEMBL ID | CHEMBL5191762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJFCQUNIFGFYCR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
2.25
ALogP
5
HBA
3
HBD
79.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 2 CHEMBL2531 | IC50 | 5.85 | 5.85 | 1424.0 | 1 |
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.67 | 5.67 | 2164.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 2 | IC50 | = | 1424.0 | nM | 5.85 | Antagonist activity against human P2X2R stably transfected in human 1321N1 cells... | 35660250 |
| P2X purinoceptor 4 | IC50 | = | 2164.0 | nM | 5.67 | 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