Compound Detail
CHEMBL474543
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Basic Information
| ChEMBL ID | CHEMBL474543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFTCXKUSJMWVRD-UHFFFAOYSA-N |
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
6.91
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 630.0 | nM | 6.2 | Inhibition of Src by virtual HTS assay | 19211246 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 640.0 | nM | 6.19 | Inhibition of VEGFR2 by virtual HTS assay | 19211246 |
| Aurora kinase B | IC50 | = | 750.0 | nM | 6.12 | Inhibition of Aurora B by virtual HTS assay | 19211246 |
| Insulin-like growth factor 1 receptor | IC50 | = | 860.0 | nM | 6.07 | Inhibition of IGF1R by virtual HTS assay | 19211246 |
| Ephrin type-B receptor 4 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of EphB4 by virtual HTS assay | 19211246 |
| Insulin receptor | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of insulin receptor by virtual HTS assay | 19211246 |
| Epidermal growth factor receptor | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of EGFR by virtual HTS assay | 19211246 |
| Aurora kinase A | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of Aurora A by virtual HTS assay | 19211246 |
| Angiopoietin-1 receptor | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of TIE2 by virtual HTS assay | 19211246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Angiopoietin-1 receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase A | 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 | 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 | Aurora kinase B | 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