Compound Detail
CHEMBL4454065
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Basic Information
| ChEMBL ID | CHEMBL4454065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJCCECXADYTNDZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.19
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.21 | 7.21 | 61.3 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 7.01 | 7.01 | 96.9 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.52 | 6.52 | 300.4 | 1 |
| EA.hy 926 CHEMBL4296410 | IC50 | 5.03 | 5.03 | 9280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 61.26 | nM | 7.21 | Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo reagent based lumines... | 30503935 |
| Ephrin type-B receptor 4 | IC50 | = | 96.86 | nM | 7.01 | Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo reagent based lumine... | 30503935 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 300.42 | nM | 6.52 | Inhibition of VEGFR2 (unknown origin) after 1 hr by ADP-Glo reagent based lumine... | 30503935 |
| EA.hy 926 | IC50 | = | 9280.0 | nM | 5.03 | Anti-angiogenic activity against human EAhy926 after 24 hrs by CCK-8 assay | 30503935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30503935 | 10.1016/j.ejmech.2018.11.042 | Vascular endothelial growth factor receptor 2 | 1 |
| 30503935 | 10.1016/j.ejmech.2018.11.042 | Angiopoietin-1 receptor | 1 |
| 30503935 | 10.1016/j.ejmech.2018.11.042 | Ephrin type-B receptor 4 | 1 |
| 30503935 | 10.1016/j.ejmech.2018.11.042 | EA.hy 926 | 1 |
Data from ChEMBL 36 via Core Engine