Compound Detail
CHEMBL2180136
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Basic Information
| ChEMBL ID | CHEMBL2180136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USSSANRHRXBTLY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
4.48
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
| P2X purinoceptor 4 CHEMBL2818 | IC50 | 5.22 | 5.22 | 6080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 2350.0 | nM | 5.63 | Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as... | 23075067 |
| P2X purinoceptor 4 | IC50 | = | 6080.0 | nM | 5.22 | Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay | 23075067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23075067 | 10.1021/jm300845v | P2X purinoceptor 4 | 7 |
| 23075067 | 10.1021/jm300845v | P2X purinoceptor 7 | 2 |
| 23075067 | 10.1021/jm300845v | P2X purinoceptor 3 | 2 |
| 23075067 | 10.1021/jm300845v | P2X purinoceptor 2 | 2 |
| 23075067 | 10.1021/jm300845v | P2X purinoceptor 1 | 2 |
Data from ChEMBL 36 via Core Engine