Compound Detail
CHEMBL248045
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Basic Information
| ChEMBL ID | CHEMBL248045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRISCUOQTDYYHZ-PKOBYXMFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
4.08
ALogP
4
HBA
1
HBD
57.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.77
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.59 | 5.59 | 2580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 170.0 | nM | 6.77 | Inhibition of SRC | 17827009 |
| Epidermal growth factor receptor | Ki | = | 180.0 | nM | 6.75 | Inhibition of human recombinant EGFR by fluorescence polarization assay | 17827009 |
| Epidermal growth factor receptor | IC50 | = | 2580.0 | nM | 5.59 | Inhibition of human EGFR autophosphorylation in A431 cells | 17827009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Epidermal growth factor receptor | 2 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Tyrosine-protein kinase ABL1 | 1 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Tyrosine-protein kinase SYK | 1 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Vascular endothelial growth factor receptor 1 | 1 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Vascular endothelial growth factor receptor 2 | 1 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine