Compound Detail
CHEMBL5532112
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Basic Information
| ChEMBL ID | CHEMBL5532112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGTUZTTZLNCNNC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.9
MW (Da)
5.71
ALogP
4
HBA
0
HBD
35.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of EGFR (unknown origin) by DiscoverX KINOMEscan assay | 38728867 |
| MCF7 | IC50 | = | 660.0 | nM | 6.18 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 38728867 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1230.0 | nM | 5.91 | Inhibition of VEGFR2 (unknown origin) | 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 | Epidermal growth factor receptor | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine