Compound Detail
CHEMBL5542272
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Basic Information
| ChEMBL ID | CHEMBL5542272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQAMNACDVZLTDL-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.99
ALogP
9
HBA
4
HBD
126.2
PSA (Ų)
0.12
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of VEGFR2 (unknown origin) | 38728867 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of VEGFR1 (unknown origin) | 38728867 |
| Histone deacetylase 6 | IC50 | = | 63.0 | nM | 7.2 | Inhibition of HDAC6 (unknown origin) | 38728867 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 66.0 | nM | 7.18 | Inhibition of VEGFR3 (unknown origin) | 38728867 |
| Histone deacetylase 1 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of HDAC1 (unknown origin) | 38728867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Histone deacetylase 1 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Histone deacetylase 4 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Histone deacetylase 6 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 1 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine