Compound Detail
CHEMBL271042
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Basic Information
| ChEMBL ID | CHEMBL271042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYQSFHBFZVRMSE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
3.95
ALogP
4
HBA
1
HBD
51.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.87 | 6.87 | 136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of VEGFR2 | 18343109 |
| Angiopoietin-1 receptor | IC50 | = | 136.0 | nM | 6.87 | Inhibition of TIE2 | 18343109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18343109 | 10.1016/j.bmcl.2008.02.069 | Angiopoietin-1 receptor | 1 |
| 18343109 | 10.1016/j.bmcl.2008.02.069 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine