Compound Detail
CHEMBL3662258
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Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)nc1
Basic Information
| ChEMBL ID | CHEMBL3662258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQPDCPFMSUZBHS-XZOQPEGZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.5
MW (Da)
6.76
ALogP
6
HBA
1
HBD
86.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | Ki | 8.37 | 8.37 | 4.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein | Ki | = | 4.3 | nM | 8.37 | Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... | - |
| Arachidonate 5-lipoxygenase-activating protein | Ki | = | 4.3 | nM | 8.37 | Binding Assay: The assay below is used to test the modulatory activity of compou... | - |
| Arachidonate 5-lipoxygenase-activating protein | Ki | = | 4.3 | nM | 8.37 | FLAP Binding Assay: The assay below is used to test the modulatory activity of c... | - |
Data from ChEMBL 36 via Core Engine