Compound Detail
CHEMBL558285
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Basic Information
| ChEMBL ID | CHEMBL558285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQRJWLDQBNAQCC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.64
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 3.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 3.77 | 3.73 | 170000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 170000.0 | nM | 3.77 | Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escheri... | 19618939 |
| Leukotriene A-4 hydrolase | IC50 | = | 202000.0 | nM | 3.69 | Inhibition of peptidase activity of human recombinant LTA4H expressed in Escheri... | 19618939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19618939 | 10.1021/jm900259h | Leukotriene A-4 hydrolase | 2 |
| 19618939 | 10.1021/jm900259h | Blood | 1 |
| 19618939 | 10.1021/jm900259h | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine