Compound Detail
CHEMBL103761
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Cc1ncccc1C(C#N)N1CCN(C(=O)CC(c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL103761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQTJSYVENWVUJJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
543.7
MW (Da)
5.93
ALogP
5
HBA
0
HBD
63.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 41.0 | nM | 7.39 | 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