Compound Detail
CHEMBL5266387
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Basic Information
| ChEMBL ID | CHEMBL5266387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNMIYHCOSIHDEA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
4.32
ALogP
8
HBA
1
HBD
102.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase 2-beta CHEMBL3396 | IC50 | 7.59 | 7.59 | 25.8 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.41 | 7.41 | 38.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase 2-beta | IC50 | = | 25.8 | nM | 7.59 | Inhibition of human DNA topoisomerase 2-beta | 34450497 |
| Epidermal growth factor receptor | IC50 | = | 38.8 | nM | 7.41 | Inhibition of EGFR (unknown origin) by ELISA | 34450497 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 126.0 | nM | 6.9 | Inhibition of VEGFR2 (unknown origin) by ELISA | 34450497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34450497 | 10.1016/j.ejmech.2021.113768 | DNA topoisomerase 2-beta | 1 |
| 34450497 | 10.1016/j.ejmech.2021.113768 | Vascular endothelial growth factor receptor 2 | 1 |
| 34450497 | 10.1016/j.ejmech.2021.113768 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine