Compound Detail
CHEMBL163179
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Basic Information
| ChEMBL ID | CHEMBL163179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZLGZZMQKAOWEY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
3.83
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 6.16 | 5.625 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 700.0 | nM | 6.16 | Inhibitory activity was determined against Leukotriene A4 hydrolase | 10691697 |
| Leukotriene A-4 hydrolase | IC50 | = | 8200.0 | nM | 5.09 | Inhibitory activity was determined for LTB4 production in human whole blood. | 10691697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691697 | 10.1021/jm990496z | Leukotriene A-4 hydrolase | 2 |
Data from ChEMBL 36 via Core Engine