Compound Detail
CHEMBL441369
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Basic Information
| ChEMBL ID | CHEMBL441369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBXRPFUTHPUIRP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
3.40
ALogP
3
HBA
1
HBD
35.2
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 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.16 | 6.155 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of KDR-mediated biotin-Ahx-AEEEYFFLFA-amide substrate phosphorylation... | 16750628 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 708.0 | nM | 6.15 | Inhibition of human KDR kinase by HTRF assay | 17425296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16750628 | 10.1016/j.bmcl.2006.05.052 | Vascular endothelial growth factor receptor 2 | 1 |
| 17425296 | 10.1021/jm061223o | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine