Compound Detail
CHEMBL108260
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CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)O)C1c1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL108260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEQNKUQWDCUQLR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.0
MW (Da)
5.40
ALogP
7
HBA
2
HBD
106.3
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 14.0 | nM | 7.85 | In vitro inhibition of PAF-induced aggregation of rabbit washed platelets. | 1507200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1507200 | 10.1021/jm00095a005 | Platelet-activating factor receptor | 2 |
Data from ChEMBL 36 via Core Engine