Compound Detail
CHEMBL88405
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Basic Information
| ChEMBL ID | CHEMBL88405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWIHZZBWTTUUMW-WQRHYEAKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
412.3
MW (Da)
3.22
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 13800.0 | nM | 4.86 | Test concentration required to achieve 50% inhibition of tyrosine phosphorylatio... | 9651163 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1) | 10956210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956210 | 10.1021/jm990609e | Vascular endothelial growth factor receptor 2 | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine