Compound Detail
CHEMBL4060841
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Basic Information
| ChEMBL ID | CHEMBL4060841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMGGFVAOWVEZEZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
534.4
MW (Da)
6.35
ALogP
5
HBA
3
HBD
85.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.51 | 9.51 | 0.3 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 7.31 | 7.31 | 48.5 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 5.18 | 5.18 | 6580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 0.31 | nM | 9.51 | Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| Angiopoietin-1 receptor | IC50 | = | 9.68 | nM | 8.01 | Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| Ephrin type-B receptor 4 | IC50 | = | 48.53 | nM | 7.31 | Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay | 28068599 |
| EA.hy 926 | IC50 | = | 6580.0 | nM | 5.18 | 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