Compound Detail
CHEMBL3662266
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Cn1ccc(COc2ccc3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)n1
Basic Information
| ChEMBL ID | CHEMBL3662266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFVJDKGSEZYQQO-KEKNWZKVSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
5.65
ALogP
7
HBA
1
HBD
91.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | Ki | 8.66 | 7.895 | 2.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein | Ki | = | 2.2 | nM | 8.66 | Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... | - |
| Arachidonate 5-lipoxygenase-activating protein | Ki | = | 2.2 | nM | 8.66 | Binding Assay: The assay below is used to test the modulatory activity of compou... | - |
| Arachidonate 5-lipoxygenase-activating protein | Ki | = | 2.2 | nM | 8.66 | FLAP Binding Assay: The assay below is used to test the modulatory activity of c... | - |
| Arachidonate 5-lipoxygenase-activating protein | Ki | = | 2500.0 | nM | 5.6 | Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... | - |
Data from ChEMBL 36 via Core Engine