Compound Detail
CHEMBL248392
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Basic Information
| ChEMBL ID | CHEMBL248392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHWFEYYJOLZGNB-XUZZJYLKSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.18
ALogP
7
HBA
1
HBD
79.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.08
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | Ki | 8.08 | 8.08 | 8.4 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human EGFR autophosphorylation in A431 cells | 17827009 |
| Epidermal growth factor receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition of EGFR (unknown origin) | 36375337 |
| Epidermal growth factor receptor | Ki | = | 8.4 | nM | 8.08 | Inhibition of human recombinant EGFR by fluorescence polarization assay | 17827009 |
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 45.0 | nM | 7.35 | Inhibition of SRC | 17827009 |
| Tyrosine-protein kinase ABL1 | Ki | = | 200.0 | nM | 6.7 | Inhibition of ABL | 17827009 |
| Vascular endothelial growth factor receptor 1 | Ki | = | 350.0 | nM | 6.46 | Inhibition of Flt1 | 17827009 |
| Vascular endothelial growth factor receptor 2 | Ki | = | 420.0 | nM | 6.38 | Inhibition of KDR | 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 SYK | 1 |
| 17827009 | 10.1016/j.bmcl.2007.07.071 | Tyrosine-protein kinase ABL1 | 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 |
| 36375337 | 10.1016/j.ejmech.2022.114889 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine