Compound Detail
CHEMBL428039
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Basic Information
| ChEMBL ID | CHEMBL428039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYZCYYQLUANKGJ-VOTSOKGWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
2.06
ALogP
9
HBA
2
HBD
122.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.42 | 6.14 | 378.7 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.1 | 6.1 | 799.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 378.7 | nM | 6.42 | Inhibition of human VEGFR2 in presence of 1 uM ATP | 17416531 |
| Epidermal growth factor receptor | IC50 | = | 799.3 | nM | 6.1 | Inhibition of human EGFR in presence of 1 uM ATP | 17416531 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1397.0 | nM | 5.86 | Inhibition of human VEGFR2 in presence of 1 mM ATP | 17416531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17416531 | 10.1016/j.bmc.2007.03.055 | Epidermal growth factor receptor | 4 |
| 17416531 | 10.1016/j.bmc.2007.03.055 | Vascular endothelial growth factor receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine