Compound Detail
CHEMBL1927732
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Basic Information
| ChEMBL ID | CHEMBL1927732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWIFJDMIIROEBY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.44
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 3 CHEMBL4105989 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 3 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentan... | 30098867 |
| Lysyl oxidase homolog 2 | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using di... | 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 |
| 22100138 | 10.1016/j.ejmech.2011.10.040 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
Data from ChEMBL 36 via Core Engine