Compound Detail
CHEMBL4748522
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 | CHEMBL4748522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXFMFXLMEUSPOH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
3.62
ALogP
7
HBA
1
HBD
124.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | IC50 | 5.78 | 5.78 | 1650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor | IC50 | = | 1650.0 | nM | 5.78 | Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as i... | 31727469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 2 | 2 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | Uracil nucleotide/cysteinyl leukotriene receptor | 2 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 4 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 6 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 1 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 12 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 14 | 1 |
Data from ChEMBL 36 via Core Engine