Compound Detail
CHEMBL3417428
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Basic Information
| ChEMBL ID | CHEMBL3417428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJECPSDOOMWUOC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
2.97
ALogP
7
HBA
2
HBD
119.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 8.64 | 7.8 | 2.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 2.3 | nM | 8.64 | Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell mem... | 25671290 |
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 110.0 | nM | 6.96 | Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibi... | 25671290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25671290 | 10.1021/jm501185j | Arachidonate 5-lipoxygenase-activating protein | 2 |
| 25671290 | 10.1021/jm501185j | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine