Compound Detail
CHEMBL117132
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Basic Information
| ChEMBL ID | CHEMBL117132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMGGKNXDSXRLHK-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
4.61
ALogP
5
HBA
0
HBD
47.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.37 | 7.326 | 43.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 43.0 | nM | 7.37 | Inhibitory activity was determined against Leukotriene A4 hydrolase | 10691697 |
| Leukotriene A-4 hydrolase | IC50 | = | 43.0 | nM | 7.37 | Inhibition of human leukotriene A4 hydrolase (LTA-4). | 12139459 |
| Leukotriene A-4 hydrolase | IC50 | = | 43.0 | nM | 7.37 | Inhibition of human leukotriene A4 hydrolase | 21377770 |
| Leukotriene A-4 hydrolase | IC50 | = | 55.0 | nM | 7.26 | Inhibitory activity was determined for LTB4 production in human whole blood. | 10691697 |
| Leukotriene A-4 hydrolase | IC50 | = | 55.0 | nM | 7.26 | Inhibition of human whole blood LTB-4 production (Leukotriene B-4). | 12139459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691697 | 10.1021/jm990496z | Leukotriene A-4 hydrolase | 3 |
| 12139459 | 10.1021/jm0200916 | Leukotriene A-4 hydrolase | 2 |
| 12139459 | 10.1021/jm0200916 | Mus musculus | 1 |
| 21377770 | 10.1016/j.ejmech.2011.02.007 | Leukotriene A-4 hydrolase | 1 |
Data from ChEMBL 36 via Core Engine