Compound Detail
CHEMBL4777444
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Basic Information
| ChEMBL ID | CHEMBL4777444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYPHJFINPPUYCR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
432.8
MW (Da)
4.27
ALogP
6
HBA
1
HBD
115.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | IC50 | 5.63 | 5.63 | 2320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor | IC50 | = | 2320.0 | nM | 5.63 | 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 | 1 |
| 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