Compound Detail
CHEMBL440453
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Basic Information
| ChEMBL ID | CHEMBL440453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTEDVZPTRHFYOX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
301.7
MW (Da)
3.98
ALogP
4
HBA
2
HBD
62.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.42 | 6.68 | 38.0 | 3 |
| Epidermal growth factor receptor CHEMBL3608 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 38.0 | nM | 7.42 | Inhibition of Epidermal growth factor receptor | 10090785 |
| Epidermal growth factor receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of EGFR (unknown origin) | 38870715 |
| Epidermal growth factor receptor | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Epidermal growth factor receptor-dependent phosphorylation | 10090785 |
| Epidermal growth factor receptor | IC50 | = | 11400.0 | nM | 4.94 | Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation | 10090785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10090785 | 10.1021/jm980551o | Epidermal growth factor receptor | 3 |
| 10090785 | 10.1021/jm980551o | Tyrosine-protein kinase ABL | 1 |
| 10090785 | 10.1021/jm980551o | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 10090785 | 10.1021/jm980551o | Protein kinase C alpha type | 1 |
| 10090785 | 10.1021/jm980551o | Platelet-derived growth factor receptor | 1 |
| 38870715 | 10.1016/j.bmc.2024.117791 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine