Compound Detail
CHEMBL2023221
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Basic Information
| ChEMBL ID | CHEMBL2023221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBKRHKORBCTVLD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.86
ALogP
5
HBA
4
HBD
109.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.0 | 8.85 | 1.0 | 2 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells | 22465635 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of KDR using 1 mM ATP by HTRF assay | 22465635 |
| Aurora kinase B | IC50 | = | 13.0 | nM | 7.89 | Inhibition of Aurora B using 1 mM ATP by HTRF assay | 22465635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22465635 | 10.1016/j.bmcl.2012.03.035 | Vascular endothelial growth factor receptor 2 | 2 |
| 22465635 | 10.1016/j.bmcl.2012.03.035 | Aurora kinase B | 2 |
Data from ChEMBL 36 via Core Engine