Compound Detail
CHEMBL4238380
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Basic Information
| ChEMBL ID | CHEMBL4238380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHJCGOXOUGUHEX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
3.59
ALogP
4
HBA
1
HBD
63.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Lysyl oxidase homolog 3 CHEMBL4105989 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Lysyl oxidase homolog 4 CHEMBL4295926 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using di... | 30098867 |
| Lysyl oxidase homolog 3 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentan... | 30098867 |
| Protein-lysine 6-oxidase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopenta... | 30098867 |
| Lysyl oxidase homolog 4 | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect c... | 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 |
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine