Compound Detail
CHEMBL360450
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Basic Information
| ChEMBL ID | CHEMBL360450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPCXQWNIDDYFMZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
3.66
ALogP
7
HBA
3
HBD
94.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell line CHEMBL614840 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell line | IC50 | = | 35.0 | nM | 7.46 | Inhibitory concentration against Human umbilical vein endothelial cells stimulat... | 15713401 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 90.0 | nM | 7.05 | Inhibitory concentration against Vascular endothelial growth factor receptor 2 | 15713401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713401 | 10.1016/j.bmcl.2004.12.079 | Vascular endothelial growth factor receptor 2 | 1 |
| 15713401 | 10.1016/j.bmcl.2004.12.079 | Cell line | 1 |
Data from ChEMBL 36 via Core Engine