Compound Detail
CHEMBL3667016
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1
Basic Information
| ChEMBL ID | CHEMBL3667016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPNGLHUBZFJLRE-DNQXCXABSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
6.49
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 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 | 8.66 | 2.2 | 2 |
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 | FLAP Binding Assay: The assay below is used to test the modulatory activity of c... | - |
Data from ChEMBL 36 via Core Engine