Compound Detail
CHEMBL4594698
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Basic Information
| ChEMBL ID | CHEMBL4594698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTVXXXVAXYUXCB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
3.42
ALogP
6
HBA
1
HBD
94.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Arachidonate 12-lipoxygenase CHEMBL2381 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL3112375 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-lysine 6-oxidase | IC50 | = | 1800.0 | nM | 5.75 | LOX Enzyme Activity Assay : LOX enzyme was obtained from pig skin by the method ... | - |
| Protein-lysine 6-oxidase | IC50 | = | 1800.0 | nM | 5.75 | LOX Enzyme Activity Assay: The following reagents were prepared:Reagents500 mM C... | - |
| Arachidonate 12-lipoxygenase | IC50 | = | 1800.0 | nM | 5.75 | LOX Enzyme Activity Assay: LOX enzyme was obtained from pig skin by the method o... | - |
Data from ChEMBL 36 via Core Engine