Compound Detail
CHEMBL12055
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CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COP(=O)([O-])OCC[n+]2ccccc2)CCCC1
Basic Information
| ChEMBL ID | CHEMBL12055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORKDAVCFIPXQSJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
610.8
MW (Da)
8.02
ALogP
6
HBA
1
HBD
100.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 5.9 | 5.9 | 1270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 1270.0 | nM | 5.9 | In vitro inhibitory activity against PAF-induced aggregation of rabbit platelets... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00173-Q | Platelet-activating factor receptor | 2 |
Data from ChEMBL 36 via Core Engine