Compound Detail
CHEMBL156891
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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2ccc[n+](C)c2)C(C)=O)cc1C(C)(C)C.[I-]
Basic Information
| ChEMBL ID | CHEMBL156891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMSZAFJHKMVQHZ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1181140 |
| Active Moiety | CHEMBL1181140 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.8
MW (Da)
8.08
ALogP
3
HBA
0
HBD
50.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of PAF-induced platelet aggregation in rabbit platelet rich plasma | 8496938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496938 | 10.1021/jm00057a008 | Platelet-activating factor receptor | 2 |
Data from ChEMBL 36 via Core Engine