Compound Detail
CHEMBL65556
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COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL65556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOXUUVJTKHHJKI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.7
MW (Da)
7.19
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 5.38 | 5.38 | 4205.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 4205.0 | nM | 5.38 | In vitro intrinsic binding affinity at platelet activating factor receptor using... | 1317924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1317924 | 10.1021/jm00089a016 | Platelet-activating factor receptor | 1 |
Data from ChEMBL 36 via Core Engine