Compound Detail
CHEMBL2180171
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2180171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTLRJNRRUGVPRK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.88
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 4 CHEMBL2104 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 4 | IC50 | = | 1780.0 | nM | 5.75 | 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 | 8 |
| 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