Compound Detail
CHEMBL490555
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Basic Information
| ChEMBL ID | CHEMBL490555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMGGDZTXJBWQCN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.98
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of TIE2 by virtual HTS assay | 19211246 |
| Aurora kinase B | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of Aurora B by virtual HTS assay | 19211246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | 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 | Vascular endothelial growth factor receptor 3 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Vascular endothelial growth factor receptor 2 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin-like growth factor 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 | Aurora kinase B | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine