Compound Detail
CHEMBL44617
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CCCCCCCCCCCCOc1cccc(OCC(COP(=O)([O-])Oc2cccc(C[n+]3csc(C)c3)c2)OCC)c1C
Basic Information
| ChEMBL ID | CHEMBL44617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEISJUQKAXODRL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
661.8
MW (Da)
8.35
ALogP
8
HBA
0
HBD
90.2
PSA (Ų)
0.05
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 230.0 | nM | 6.64 | Inhibition of PAF induced platelet aggregation in rabbit | 1578493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578493 | 10.1021/jm00087a023 | Mus musculus | 3 |
| 1578493 | 10.1021/jm00087a023 | Oryctolagus cuniculus | 3 |
| 1578493 | 10.1021/jm00087a023 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine