Compound Detail
CHEMBL514016
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Basic Information
| ChEMBL ID | CHEMBL514016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBMGNUFDDDRKSW-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
423.3
MW (Da)
6.96
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Src by virtual HTS assay | 19211246 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of VEGFR2 by virtual HTS assay | 19211246 |
| Ephrin type-B receptor 4 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of EphB4 by virtual HTS assay | 19211246 |
| Insulin-like growth factor 1 receptor | IC50 | = | 800.0 | nM | 6.1 | Inhibition of IGF1R by virtual HTS assay | 19211246 |
| Epidermal growth factor receptor | IC50 | = | 800.0 | nM | 6.1 | Inhibition of EGFR by virtual HTS assay | 19211246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase B | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase A | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Angiopoietin-1 receptor | 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 | Epidermal growth factor 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 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine