Compound Detail
CHEMBL4457668
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Basic Information
| ChEMBL ID | CHEMBL4457668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYRKKXSVEHZILX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
2.81
ALogP
7
HBA
1
HBD
107.2
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 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.58 | 6.51 | 260.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 260.0 | nM | 6.58 | LOXL2 Enzyme Activity Assay (b): LOXL2 batch is obtained from R&D systems/Bio-te... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 260.0 | nM | 6.58 | LOXL2 Enzyme Activity Assay (i hour): 10. Incubate for 1 hr at room temp on a pl... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 423.0 | nM | 6.37 | Inhibition of human C-terminal His10-tagged LOXL2 (Met1 to Gln774 residues) expr... | 31430136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31430136 | 10.1021/acs.jmedchem.9b01112 | Lysyl oxidase homolog 2 | 1 |
Data from ChEMBL 36 via Core Engine