Compound Detail
CHEMBL5505791
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5505791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSSQIYLVNASNTJ-CIAFOILYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
3.43
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.25 | 4.25 | 56550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 67.0 | nM | 7.17 | Inhibition of VEGFR2 (unknown origin) | 38728867 |
| HL-60 | IC50 | = | 1090.0 | nM | 5.96 | Cytotoxicity against human HL-60 cells assessed as reduction in cell growth | 38728867 |
| WI-38 | IC50 | = | 56550.0 | nM | 4.25 | Cytotoxicity against human WI-38 cells assessed as reduction in cell growth | 38728867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | WI-38 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine