Compound Detail
CHEMBL270093
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Basic Information
| ChEMBL ID | CHEMBL270093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKFUKWHBZZWJNX-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
5.46
ALogP
6
HBA
1
HBD
82.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.59 | 7.585 | 25.7 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 6.44 | 6.2 | 360.0 | 2 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 25.7 | nM | 7.59 | Inhibition of human VEGFR2 after 60 mins | 19081278 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of KDR by HTRF assay | 18311900 |
| Tyrosine-protein kinase Lck | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Lck | 18311900 |
| HUVEC | IC50 | = | 360.0 | nM | 6.44 | Inhibition of VEGF-induced proliferation of HUVEC cells | 18311900 |
| Hepatocyte growth factor receptor | IC50 | = | 500.0 | nM | 6.3 | Inhibition of c-Met | 18311900 |
| HUVEC | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of FGF-induced proliferation of HUVEC cells | 18311900 |
| Angiopoietin-1 receptor | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Tie2 | 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