Compound Detail
CHEMBL4565942
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Basic Information
| ChEMBL ID | CHEMBL4565942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZRWEQFGGQHQBJ-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
2.59
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 5.5 | 4.965 | 3190.0 | 4 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Arachidonate 12-lipoxygenase CHEMBL2381 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 3190.0 | nM | 5.5 | Inhibition of human C-terminal His10-tagged LOXL2 (Met1 to Gln774 residues) expr... | 31430136 |
| Lysyl oxidase homolog 2 | IC50 | = | 6020.0 | nM | 5.22 | Inhibition of human C-terminal His10-tagged LOXL2 (Met1 to Gln774 residues) expr... | 31430136 |
| Protein-lysine 6-oxidase | IC50 | = | 26000.0 | nM | 4.58 | LOX Enzyme Activity Assay: The following reagents were prepared:Reagents500 mM C... | - |
| Arachidonate 12-lipoxygenase | IC50 | = | 26000.0 | nM | 4.58 | LOX Enzyme Activity Assay: LOX enzyme was obtained from pig skin by the method o... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 26800.0 | nM | 4.57 | Inhibition of human C-terminal His10-tagged LOXL2 (Met1 to Gln774 residues) expr... | 31430136 |
| Lysyl oxidase homolog 2 | IC50 | = | 27000.0 | nM | 4.57 | LOXL2 Enzyme Activity Assay (20 minutes): The following reagents were prepared:R... | - |
| Unchecked | IC50 | = | 27000.0 | nM | 4.57 | LOXL2 Enzyme Activity Assay (20 min): LOX enzyme was obtained from pig skin by t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31430136 | 10.1021/acs.jmedchem.9b01112 | Lysyl oxidase homolog 2 | 5 |
Data from ChEMBL 36 via Core Engine