Compound Detail
CHEMBL4209822
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Basic Information
| ChEMBL ID | CHEMBL4209822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIVIXKOBUJPPEI-AVGNSLFASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
0.46
ALogP
5
HBA
5
HBD
136.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Cytosol aminopeptidase CHEMBL5624 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Aminopeptidase N CHEMBL1907 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of full-length recombinant C-terminal FLAG-tagged human leukotriene A... | 29630364 |
| Cytosol aminopeptidase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of porcine kidney leucine aminopeptidase using LGG as substrate after... | 29630364 |
| Aminopeptidase N | IC50 | = | 190.0 | nM | 6.72 | Inhibition of APN (unknown origin) | 29630364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29630364 | 10.1021/acs.jmedchem.7b00782 | Aminopeptidase N | 1 |
| 29630364 | 10.1021/acs.jmedchem.7b00782 | Cytosol aminopeptidase | 1 |
| 29630364 | 10.1021/acs.jmedchem.7b00782 | Leukotriene A-4 hydrolase | 1 |
Data from ChEMBL 36 via Core Engine