Compound Detail
CHEMBL2180139
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Basic Information
| ChEMBL ID | CHEMBL2180139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBWFJPNFHCSVKP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.8
MW (Da)
5.92
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 1020.0 | nM | 5.99 | Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as... | 23075067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23075067 | 10.1021/jm300845v | P2X purinoceptor 4 | 3 |
Data from ChEMBL 36 via Core Engine