Compound Detail
CHEMBL6217
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COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(C)=O)C2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL6217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRGMLTJKLQEHOZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
2.27
ALogP
10
HBA
0
HBD
122.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.4
IC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | EC50 | = | 400.0 | nM | 6.4 | Inhibition of [3H]PAF binding to rabbit platelet membrane | 8478911 |
| Platelet-activating factor receptor | IC50 | = | 430.0 | nM | 6.37 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8478911 | 10.1021/jm00060a006 | Platelet-activating factor receptor | 2 |
Data from ChEMBL 36 via Core Engine