Compound Detail
CHEMBL320226
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CC(C)O.CCCCc1nc2cnccc2n1-c1ccc(C2=C(C(=O)OCC)C(c3ccccc3Cl)C(C(=O)Nc3ccccn3)=C(C)N2)cc1
Basic Information
| ChEMBL ID | CHEMBL320226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKGQLRTYXZSHAM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1183832 |
| Active Moiety | CHEMBL1183832 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
647.2
MW (Da)
7.39
ALogP
8
HBA
2
HBD
111.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 190.0 | nM | 6.72 | In vitro inhibition of PAF-induced aggregation of rabbit washed platelets. | 1507200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1507200 | 10.1021/jm00095a005 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine