Compound Detail
CHEMBL313578
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Basic Information
| ChEMBL ID | CHEMBL313578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLAOAGFXNCEZMZ-LCYFTJDESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.88
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL3516 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.08 | 5.08 | 8390.0 | 1 |
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed ... | 23829549 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 2700.0 | nM | 5.57 | Concentration required to achieve 50% inhibition of tyrosine phosphorylation on ... | 9651163 |
| Platelet-derived growth factor receptor beta | IC50 | = | 8390.0 | nM | 5.08 | Test concentration required to achieve 50% inhibition of tyrosine phosphorylatio... | 9651163 |
| Serine/threonine-protein kinase PLK1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay | 23829549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651163 | 10.1021/jm980123i | Platelet-derived growth factor receptor beta | 1 |
| 9651163 | 10.1021/jm980123i | Vascular endothelial growth factor receptor 1 | 1 |
| 9651163 | 10.1021/jm980123i | Epidermal growth factor receptor | 1 |
| 9651163 | 10.1021/jm980123i | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 9651163 | 10.1021/jm980123i | Insulin-like growth factor 1 receptor | 1 |
| 23829549 | 10.1021/jm400380m | Serine/threonine-protein kinase PLK1 | 1 |
| 23829549 | 10.1021/jm400380m | Serine/threonine-protein kinase PLK4 | 1 |
Data from ChEMBL 36 via Core Engine