Compound Detail
CHEMBL401699
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Basic Information
| ChEMBL ID | CHEMBL401699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDLRMQHFINNPIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
6.62
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.02 | 8.02 | 9.5 | 1 |
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 7.91 | 7.91 | 12.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.5 | nM | 8.02 | Inhibition of calcium ionophore-stimulated LTB4 production in human PMN cells | 18276139 |
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 12.4 | nM | 7.91 | Displacement of [125I]L-691831 from FLAP | 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 |
Data from ChEMBL 36 via Core Engine