Compound Detail
CHEMBL4472113
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Basic Information
| ChEMBL ID | CHEMBL4472113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USFUHWQRVTVWKY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.69
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.33 | 7.33 | 46.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 0.53 | nM | 9.28 | Inhibition of VEGFR-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay | 30616052 |
| Angiopoietin-1 receptor | IC50 | = | 46.39 | nM | 7.33 | Inhibition of Tie-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay | 30616052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30616052 | 10.1016/j.ejmech.2018.12.067 | EA.hy 926 | 2 |
| 30616052 | 10.1016/j.ejmech.2018.12.067 | Vascular endothelial growth factor receptor 2 | 1 |
| 30616052 | 10.1016/j.ejmech.2018.12.067 | Angiopoietin-1 receptor | 1 |
| 30616052 | 10.1016/j.ejmech.2018.12.067 | Ephrin type-B receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine