Compound Detail
CHEMBL377995
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Basic Information
| ChEMBL ID | CHEMBL377995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNQQUMQUMMSXHR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
5.18
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.29 | 7.205 | 51.0 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of VEGFR2 phosphorylation in presence of 2 uM ATP by HTRF assay | 16460936 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 75.0 | nM | 7.12 | Inhibition of VEGFR2 phosphorylation in HEK293 cells by cell-based ELISA | 16460936 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of VEGFR1 phosphorylation in presence of 2 uM ATP by HTRF assay | 16460936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Vascular endothelial growth factor receptor 2 | 2 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Vascular endothelial growth factor receptor 1 | 1 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Caco-2 | 1 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Bcr/Abl fusion protein | 1 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Cyclin-dependent kinase 2 | 1 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Cyclin-dependent kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine