Compound Detail
CHEMBL4092519
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Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5cc(Br)ccc5OC(F)(F)F)CC4)cc3)c12
Basic Information
| ChEMBL ID | CHEMBL4092519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFUIFWFJYBTUKA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
574.4
MW (Da)
5.83
ALogP
5
HBA
4
HBD
122.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.45 | 7.45 | 35.8 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 5.31 | 5.31 | 4880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 6.05 | nM | 8.22 | Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 35.75 | nM | 7.45 | Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| EA.hy 926 | IC50 | = | 4880.0 | nM | 5.31 | Antiproliferative activity against human EAhy926 cells after 48 hrs by MTT assay | 28068599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28068599 | 10.1016/j.ejmech.2016.12.059 | Vascular endothelial growth factor receptor 2 | 1 |
| 28068599 | 10.1016/j.ejmech.2016.12.059 | Angiopoietin-1 receptor | 1 |
| 28068599 | 10.1016/j.ejmech.2016.12.059 | Ephrin type-B receptor 4 | 1 |
| 28068599 | 10.1016/j.ejmech.2016.12.059 | EA.hy 926 | 1 |
Data from ChEMBL 36 via Core Engine