Compound Detail
CHEMBL404015
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
c1ccc(C2(c3cc(OCc4ccc5ccccc5n4)ccc3OCc3ccc4ccccc4n3)CCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL404015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKUOABUSZKUFAQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
8.80
ALogP
4
HBA
0
HBD
44.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.99 | 7.99 | 10.2 | 1 |
| Blood CHEMBL613416 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 4.5 | nM | 8.35 | Displacement of [125I]L-691831 from FLAP | 18276139 |
| Unchecked | IC50 | = | 10.2 | nM | 7.99 | Inhibition of calcium ionophore-stimulated LTB4 production in human PMN cells | 18276139 |
| Blood | IC50 | = | 1080.0 | nM | 5.97 | Inhibition of calcium ionophore-stimulated LTB4 production in human whole blood | 18276139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18276139 | 10.1016/j.bmcl.2008.01.105 | Arachidonate 5-lipoxygenase-activating protein | 1 |
| 18276139 | 10.1016/j.bmcl.2008.01.105 | Unchecked | 1 |
| 18276139 | 10.1016/j.bmcl.2008.01.105 | Blood | 1 |
Data from ChEMBL 36 via Core Engine