Compound Detail
CHEMBL461293
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COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)=O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Basic Information
| ChEMBL ID | CHEMBL461293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZMFYPWWSXGVTC-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
540.5
MW (Da)
5.28
ALogP
8
HBA
1
HBD
104.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Ki 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.89 | 8.105 | 1.3 | 2 |
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human c-MET | 21641696 |
| Hepatocyte growth factor receptor | Ki | = | 1.3 | nM | 8.89 | Inhibition of c-Met phosphorylation by HTRF assay | 18553959 |
| Vascular endothelial growth factor receptor 2 | Ki | = | 2.0 | nM | 8.7 | Inhibition of VEGFR2 by HTRF assay | 18553959 |
| Hepatocyte growth factor receptor | IC50 | = | 48.0 | nM | 7.32 | Inhibition of HGF-mediated c-Met phosphorylation in human PC3 cells | 18553959 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 86.0 | nM | 7.07 | Inhibition VEGFR2-mediated survival of HUVEC | 18553959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18553959 | 10.1021/jm800401t | Hepatocyte growth factor receptor | 2 |
| 18553959 | 10.1021/jm800401t | Vascular endothelial growth factor receptor 2 | 2 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine