Compound Detail
CHEMBL162424
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Basic Information
| ChEMBL ID | CHEMBL162424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIJWTJWNQTYPSK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.95
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 7.52 | 7.0625 | 30.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity was determined against Leukotriene A4 hydrolase | 10691697 |
| Leukotriene A-4 hydrolase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15... | 21542630 |
| Leukotriene A-4 hydrolase | IC50 | = | 79.0 | nM | 7.1 | Inhibitory activity was determined for LTB4 production in human whole blood. | 10691697 |
| Leukotriene A-4 hydrolase | IC50 | = | 780.0 | nM | 6.11 | Inhibition of LTA4 hydrolase in human whole blood assessed as inhibition of calc... | 21542630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691697 | 10.1021/jm990496z | Leukotriene A-4 hydrolase | 3 |
| 21542630 | 10.1021/jm200063s | Prostaglandin G/H synthase 2 | 2 |
| 21542630 | 10.1021/jm200063s | Leukotriene A-4 hydrolase | 2 |
| 21542630 | 10.1021/jm200063s | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine