Compound Detail
CHEMBL5549937
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COCCOc1cc2ncnc(Nc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c2c2c1OCCO2
Basic Information
| ChEMBL ID | CHEMBL5549937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYZPDFHBMIKLBP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
565.5
MW (Da)
4.42
ALogP
9
HBA
3
HBD
132.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| MHCC97H CHEMBL4296470 | IC50 | 7.8 | 7.8 | 15.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 0.8 | nM | 9.1 | Cytotoxicity against human HUVEC cells assessed as reduction in cell viability b... | 38728867 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.8 | nM | 8.32 | Inhibition of VEGFR2 (unknown origin) | 38728867 |
| Hepatocyte growth factor receptor | IC50 | = | 5.8 | nM | 8.24 | Inhibition of c-Met (unknown origin) | 38728867 |
| MHCC97H | IC50 | = | 15.7 | nM | 7.8 | Antiproliferative activity against human MHCC97H cells assessed as reduction in ... | 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 | Hepatocyte growth factor receptor | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | MHCC97H | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine