Compound Detail
CHEMBL2313566
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Basic Information
| ChEMBL ID | CHEMBL2313566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBFXIFNZNWKWMV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
5.13
ALogP
6
HBA
1
HBD
75.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL3738 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 14.0 | nM | 7.85 | Inhibition of recombinant human LTA4H expressed in Sf9 cells using LTA4 as subst... | 23260350 |
| Leukotriene A-4 hydrolase | IC50 | = | 19.0 | nM | 7.72 | Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ion... | 23260350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23260350 | 10.1016/j.bmcl.2012.11.074 | Leukotriene A-4 hydrolase | 2 |
Data from ChEMBL 36 via Core Engine