Compound Detail
CHEMBL4168590
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Basic Information
| ChEMBL ID | CHEMBL4168590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVHLKFVTSZBBCD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
5.48
ALogP
3
HBA
3
HBD
83.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.85 | 7.85 | 14.2 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 7.53 | 7.53 | 29.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 14.2 | nM | 7.85 | Inhibition of TIE-2 (unknown origin) after 4 hrs by ADP-Glo luminescence assay | 29102175 |
| Ephrin type-B receptor 4 | IC50 | = | 29.28 | nM | 7.53 | Inhibition of EphB4 (unknown origin) after 4 hrs by ADP-Glo luminescence assay | 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