Compound Detail
CHEMBL44995
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CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2csc(C)c2)c1)OC
Basic Information
| ChEMBL ID | CHEMBL44995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWESUVBSCLQSSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
597.8
MW (Da)
7.77
ALogP
7
HBA
0
HBD
80.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 680.0 | nM | 6.17 | Inhibition of PAF induced platelet aggregation in rabbit | 1578493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578493 | 10.1021/jm00087a023 | Platelet-activating factor receptor | 1 |
| 1578493 | 10.1021/jm00087a023 | Mus musculus | 1 |
| 1578493 | 10.1021/jm00087a023 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine