Compound Detail
CHEMBL4598164
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Basic Information
| ChEMBL ID | CHEMBL4598164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBZQYPKZYYYZFH-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
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 6 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.42 | 6.42 | 380.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Arachidonate 12-lipoxygenase CHEMBL2381 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL3112375 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 380.0 | nM | 6.42 | LOXL2 Enzyme Activity Assay (c): LOXL2 batch is obtained from R&D systems/Bio-te... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 380.0 | nM | 6.42 | LOXL2 Enzyme Activity Assay (20 hours): 10. Incubate for 20 hrs at room temp on ... | - |
| Unchecked | IC50 | = | 380.0 | nM | 6.42 | Monoamine Oxidase A (MAO-A) Selectivity Assay: MAO-Glo Assay Kit: Promega, Cat N... | - |
| Protein-lysine 6-oxidase | IC50 | = | 830.0 | nM | 6.08 | LOX Enzyme Activity Assay : LOX enzyme was obtained from pig skin by the method ... | - |
| Protein-lysine 6-oxidase | IC50 | = | 830.0 | nM | 6.08 | LOX Enzyme Activity Assay: The following reagents were prepared:Reagents500 mM C... | - |
| Arachidonate 12-lipoxygenase | IC50 | = | 830.0 | nM | 6.08 | LOX Enzyme Activity Assay: LOX enzyme was obtained from pig skin by the method o... | - |
Data from ChEMBL 36 via Core Engine