Compound Detail
CHEMBL56917
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COc1ccc([C@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC
Basic Information
| ChEMBL ID | CHEMBL56917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLJAVUZBHSLLJL-WJWAULOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.81
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of PAF receptor binding to rabbit platelet plasma membranes | 3020247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3020247 | 10.1021/jm00160a020 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine