Compound Detail
CHEMBL6319
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CCCCN(CCCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL6319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOMAGQAIKGCREJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
659.8
MW (Da)
4.74
ALogP
10
HBA
0
HBD
125.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 1250.0 | nM | 5.9 | 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