Compound Detail
CHEMBL543405
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Basic Information
| ChEMBL ID | CHEMBL543405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBBJJLDNKNNWFJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL112671 |
| Active Moiety | CHEMBL112671 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.45
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 8.6 | 7.955 | 2.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 2.5 | nM | 8.6 | Inhibition of human leukotriene A4 hydrolase (LTA-4). | 12139459 |
| Leukotriene A-4 hydrolase | IC50 | = | 49.0 | nM | 7.31 | Inhibition of human whole blood LTB-4 production (Leukotriene B-4). | 12139459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12139459 | 10.1021/jm0200916 | Leukotriene A-4 hydrolase | 2 |
| 12139459 | 10.1021/jm0200916 | Mus musculus | 1 |
| 28218840 | 10.1021/acs.jmedchem.6b01507 | Leukotriene A-4 hydrolase | 1 |
Data from ChEMBL 36 via Core Engine