Compound Detail
CHEMBL267357
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COc1cc(NC(=O)OCC2CN(C(=O)c3cc(OC)c(OC)c(OC)c3)CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL267357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKNNLSGOPCKNBX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
713.7
MW (Da)
3.98
ALogP
13
HBA
1
HBD
162.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8478911 | 10.1021/jm00060a006 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine