Compound Detail
CHEMBL160530
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CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CCCC)C(C)=O)OC.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL160530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYUZZLVESDVHCO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181243 |
| Active Moiety | CHEMBL1181243 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
634.9
MW (Da)
8.26
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 110.0 | nM | 6.96 | Inhibition of rabbit platelet aggregation induced by platelet activating factor ... | 2909744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2909744 | 10.1021/jm00121a012 | Rattus norvegicus | 2 |
| 2909744 | 10.1021/jm00121a012 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine