Compound Detail
CHEMBL3144916
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Basic Information
| ChEMBL ID | CHEMBL3144916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIVMGHCZMXTOIM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.33
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using di... | 30098867 |
| Protein-lysine 6-oxidase | IC50 | = | 35000.0 | nM | 4.46 | 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