Compound Detail
CHEMBL58224
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Basic Information
| ChEMBL ID | CHEMBL58224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHRJDUDIROBWRM-GDNBJRDFSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.69
ALogP
4
HBA
3
HBD
83.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 9.0 | nM | 8.05 | Inhibitory activity against Cyclin-dependent kinase 2 | 12749903 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 490.0 | nM | 6.31 | Inhibitory activity was tested against FLK kinase | 12749903 |
| Platelet-derived growth factor receptor beta | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory activity was tested against Platelet-derived growth factor receptor b... | 12749903 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory activity was tested against Src protein tyrosine kinase | 12749903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12749903 | 10.1016/s0960-894x(03)00312-3 | Cyclin-dependent kinase 2 | 1 |
| 12749903 | 10.1016/s0960-894x(03)00312-3 | Vascular endothelial growth factor receptor 2 | 1 |
| 12749903 | 10.1016/s0960-894x(03)00312-3 | Platelet-derived growth factor receptor beta | 1 |
| 12749903 | 10.1016/s0960-894x(03)00312-3 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine