Compound Detail
CHEMBL4240937
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Basic Information
| ChEMBL ID | CHEMBL4240937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUUCQXGRDYPNRB-VHXPQNKSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
5.27
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Lysyl oxidase homolog 3 CHEMBL4105989 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using di... | 30098867 |
| Lysyl oxidase homolog 3 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentan... | 30098867 |
| Protein-lysine 6-oxidase | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopenta... | 30098867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30098867 | 10.1016/j.bmcl.2018.07.001 | Protein-lysine 6-oxidase | 2 |
| 30098867 | 10.1016/j.bmcl.2018.07.001 | Lysyl oxidase homolog 2 | 2 |
| 30098867 | 10.1016/j.bmcl.2018.07.001 | Lysyl oxidase homolog 3 | 2 |
| 30098867 | 10.1016/j.bmcl.2018.07.001 | Lysyl oxidase homolog 4 | 2 |
Data from ChEMBL 36 via Core Engine