Compound Detail
CHEMBL5558244
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O=C(Nc1ccc(Oc2ccnc(C(=O)NCCCCNC(=O)C3CC4C=CC3C4)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL5558244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPMWUPDBRJFZLI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
642.1
MW (Da)
7.03
ALogP
5
HBA
4
HBD
121.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EA.hy 926 CHEMBL4296410 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.64 | 6.64 | 230.1 | 1 |
| U-87 MG CHEMBL614247 | IC50 | 4.2 | 4.2 | 63610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EA.hy 926 | IC50 | = | 47.0 | nM | 7.33 | Antiproliferative activity against human EA.hy 926 cells assessed as reduction i... | 38728867 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 230.11 | nM | 6.64 | Inhibition of VEGFR2 (unknown origin) | 38728867 |
| U-87 MG | IC50 | = | 63610.0 | nM | 4.2 | Antiproliferative activity against human U87 cells assessed as inhibition of cel... | 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 | EA.hy 926 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine