Compound Detail
CHEMBL270057
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Basic Information
| ChEMBL ID | CHEMBL270057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQKMFDJSKWESCR-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
5.78
ALogP
6
HBA
1
HBD
82.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 9.22 | 7.97 | 0.6 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 0.6 | nM | 9.22 | Inhibition of VEGF-induced proliferation of HUVEC cells | 18311900 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of KDR by HTRF assay | 18311900 |
| Angiopoietin-1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Tie2 | 18311900 |
| Tyrosine-protein kinase Lck | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Lck | 18311900 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human VEGFR2 after 60 mins | 19081278 |
| HUVEC | IC50 | = | 190.0 | nM | 6.72 | Inhibition of FGF-induced proliferation of HUVEC cells | 18311900 |
| Hepatocyte growth factor receptor | IC50 | = | 350.0 | nM | 6.46 | Inhibition of c-Met | 18311900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311900 | 10.1021/jm701129j | HUVEC | 2 |
| 18311900 | 10.1021/jm701129j | Vascular endothelial growth factor receptor 2 | 1 |
| 18311900 | 10.1021/jm701129j | Angiopoietin-1 receptor | 1 |
| 18311900 | 10.1021/jm701129j | Hepatocyte growth factor receptor | 1 |
| 18311900 | 10.1021/jm701129j | Tyrosine-protein kinase Lck | 1 |
| 19081278 | 10.1016/j.jmgm.2008.10.006 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine