Compound Detail
CHEMBL6203
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COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL6203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYOKEEFYTIKJOO-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
643.1
MW (Da)
4.22
ALogP
10
HBA
0
HBD
122.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.3
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | EC50 | 7.3 | 6.62 | 50.0 | 3 |
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 7.1 | 6.6433 | 80.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | EC50 | = | 50.0 | nM | 7.3 | Inhibition of [3H]PAF binding to rabbit platelet membrane | 8478911 |
| Platelet-activating factor receptor | IC50 | = | 80.0 | nM | 7.1 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
| Platelet-activating factor receptor | IC50 | = | 170.0 | nM | 6.77 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
| Platelet-activating factor receptor | EC50 | = | 450.0 | nM | 6.35 | Inhibition of [3H]PAF binding to rabbit platelet membrane | 8478911 |
| Platelet-activating factor receptor | EC50 | = | 610.0 | nM | 6.21 | Inhibition of [3H]PAF binding to rabbit platelet membrane | 8478911 |
| Platelet-activating factor receptor | IC50 | = | 880.0 | nM | 6.06 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8478911 | 10.1021/jm00060a006 | Platelet-activating factor receptor | 6 |
Data from ChEMBL 36 via Core Engine