Compound Detail
CHEMBL4440126
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Basic Information
| ChEMBL ID | CHEMBL4440126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRVLHLFCOVBQIV-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
1.84
ALogP
8
HBA
1
HBD
112.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Arachidonate 12-lipoxygenase CHEMBL2381 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL3112375 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.785 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... | - |
| Protein-lysine 6-oxidase | IC50 | = | 1600.0 | nM | 5.8 | LOX Enzyme Activity Assay : LOX enzyme was obtained from pig skin by the method ... | - |
| Protein-lysine 6-oxidase | IC50 | = | 1600.0 | nM | 5.8 | LOX Enzyme Activity Assay: The following reagents were prepared:Reagents500 mM C... | - |
| Arachidonate 12-lipoxygenase | IC50 | = | 1600.0 | nM | 5.8 | LOX Enzyme Activity Assay: LOX enzyme was obtained from pig skin by the method o... | - |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of pig skin LOX using cadaverine hydrochloride as substrate preincuba... | 31070916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31070916 | 10.1021/acs.jmedchem.9b00335 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine