Compound Detail
CHEMBL473556
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Basic Information
| ChEMBL ID | CHEMBL473556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCIYHYFLYIQCJR-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
5.67
ALogP
7
HBA
1
HBD
69.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 6.87 | 6.87 | 135.0 | 2 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.46 | 6.46 | 350.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.2 | 5.185 | 6300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 135.0 | nM | 6.87 | Inhibition of Aurora B by virtual HTS assay | 19211246 |
| Aurora kinase B | IC50 | = | 135.0 | nM | 6.87 | Inhibition of Aurora-B by microplate scintillation counting | 19692247 |
| Aurora kinase A | IC50 | = | 350.0 | nM | 6.46 | Inhibition of Aurora A by virtual HTS assay | 19211246 |
| Aurora kinase A | IC50 | = | 350.0 | nM | 6.46 | Inhibition of Aurora-A by microplate scintillation counting | 19692247 |
| Epidermal growth factor receptor | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of EGFR by virtual HTS assay | 19211246 |
| Epidermal growth factor receptor | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of wild type EGF-R by microplate scintillation counting | 19692247 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of VEGFR2 by microplate scintillation counting | 19692247 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of VEGFR2 by virtual HTS assay | 19211246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Ephrin type-B receptor 4 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin-like growth factor 1 receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Vascular endothelial growth factor receptor 2 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Epidermal growth factor receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase A | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase B | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Angiopoietin-1 receptor | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Aurora kinase A | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Aurora kinase B | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Epidermal growth factor receptor | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Vascular endothelial growth factor receptor 2 | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine