Compound Detail
CHEMBL103171
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COC(=O)N(Cc1ccccc1)C(CC(=O)N1CCN(C(C#N)c2cccnc2C)CC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL103171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDXSGFBYAPASTK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.50
ALogP
6
HBA
0
HBD
89.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 68.0 | nM | 7.17 | Inhibition of PAF-induced platelet aggregation | 8411016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411016 | 10.1021/jm00072a019 | Platelet-activating factor receptor | 3 |
Data from ChEMBL 36 via Core Engine