Compound Detail
CHEMBL491686
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Basic Information
| ChEMBL ID | CHEMBL491686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQZVTJLMRRUWTJ-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
5.27
ALogP
7
HBA
3
HBD
91.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of IGF1R by virtual HTS assay | 19211246 |
| Aurora kinase A | IC50 | = | 160.0 | nM | 6.8 | Inhibition of Aurora A by virtual HTS assay | 19211246 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 190.0 | nM | 6.72 | Inhibition of Src by virtual HTS assay | 19211246 |
| Insulin receptor | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of insulin receptor by virtual HTS assay | 19211246 |
| Epidermal growth factor receptor | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of EGFR by virtual HTS assay | 19211246 |
| Aurora kinase B | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Aurora B by virtual HTS assay | 19211246 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of VEGFR3 by virtual HTS assay | 19211246 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of VEGFR2 by virtual HTS assay | 19211246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Ephrin type-B receptor 4 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Angiopoietin-1 receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Platelet-derived growth factor receptor beta | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Vascular endothelial growth factor receptor 2 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Vascular endothelial growth factor receptor 3 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase B | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Epidermal growth factor receptor | 1 |
| 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 | Aurora kinase A | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine