Compound Detail
CHEMBL5559400
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Basic Information
| ChEMBL ID | CHEMBL5559400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHRJQGZKEXVVIR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
4.42
ALogP
6
HBA
3
HBD
130.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of VEGFR2 (unknown origin) | 38728867 |
| MCF7 | IC50 | = | 5500.0 | nM | 5.26 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability | 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 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine