Compound Detail
CHEMBL4165234
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Nc1ncc2ccc(-c3ccc(NC(=O)C4(C(=O)Nc5cc(Br)cc(C(F)(F)F)c5)CC4)cc3)cc2n1
Basic Information
| ChEMBL ID | CHEMBL4165234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPXXVJYFXNATQZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
570.4
MW (Da)
6.02
ALogP
5
HBA
3
HBD
110.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.39 | 7.39 | 40.4 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.18 | 7.18 | 65.3 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 7.1 | 7.1 | 78.9 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 4.8 | 4.8 | 15680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 40.37 | nM | 7.39 | Inhibition of VEGFR-2 (unknown origin) after 60 mins by ADP-Glo luminescence ass... | 29102175 |
| Angiopoietin-1 receptor | IC50 | = | 65.26 | nM | 7.18 | Inhibition of TIE-2 (unknown origin) after 4 hrs by ADP-Glo luminescence assay | 29102175 |
| Ephrin type-B receptor 4 | IC50 | = | 78.92 | nM | 7.1 | Inhibition of EphB4 (unknown origin) after 4 hrs by ADP-Glo luminescence assay | 29102175 |
| EA.hy 926 | IC50 | = | 15680.0 | nM | 4.8 | Anti-angiogenic activity in human EAhy926 cells as growth inhibition after 24 hr... | 29102175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29102175 | 10.1016/j.ejmech.2017.10.030 | Vascular endothelial growth factor receptor 2 | 1 |
| 29102175 | 10.1016/j.ejmech.2017.10.030 | Angiopoietin-1 receptor | 1 |
| 29102175 | 10.1016/j.ejmech.2017.10.030 | EA.hy 926 | 1 |
| 29102175 | 10.1016/j.ejmech.2017.10.030 | Ephrin type-B receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine