Compound Detail
CHEMBL4075255
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Basic Information
| ChEMBL ID | CHEMBL4075255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULGNIWUOIJPCIG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
2.25
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.07 | 5.4533 | 850.0 | 3 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 850.0 | nM | 6.07 | Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 p... | 28471663 |
| Lysyl oxidase homolog 2 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 p... | 28471663 |
| Lysyl oxidase homolog 2 | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of recombinant human LOXL2 expressed in human whole blood assessed as... | 28471663 |
| Protein-lysine 6-oxidase | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of human LOX expressed in HEK cells assessed as reduction of H2O2 pro... | 28471663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Lysyl oxidase homolog 2 | 3 |
| 28471663 | 10.1021/acs.jmedchem.7b00345 | Protein-lysine 6-oxidase | 1 |
Data from ChEMBL 36 via Core Engine