Compound Detail
CHEMBL176702
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Basic Information
| ChEMBL ID | CHEMBL176702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDPXBTVEVMPBMF-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
2.75
ALogP
6
HBA
3
HBD
89.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.0 | 7.1333 | 10.0 | 3 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Tyrosine-protein kinase CSK CHEMBL2634 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 10.0 | nM | 8.0 | Tested for inhibition of protein tyrosine kinase c-Src phosphorylation | 10853665 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 10.0 | nM | 8.0 | Inhibition of c-Src | 18722033 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 10.0 | nM | 8.0 | Inhibition of c-Src kinase (unknown origin) | - |
| Epidermal growth factor receptor | IC50 | = | 3400.0 | nM | 5.47 | Tested in vitro for inhibition of EGF-receptor tyrosine kinase | 10853665 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3600.0 | nM | 5.44 | Tested in vitro for inhibition of KDR-receptor tyrosine kinase | 10853665 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 4000.0 | nM | 5.4 | Tested for inhibition of protein tyrosine kinase c-Src phosphorylation in intact... | 10853665 |
| Tyrosine-protein kinase CSK | IC50 | = | 5000.0 | nM | 5.3 | Tested for inhibition of protein tyrosine kinase Csk phosphorylation in intact c... | 10853665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Epidermal growth factor receptor | 2 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Vascular endothelial growth factor receptor 2 | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Tyrosine-protein kinase ABL | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Cyclin-dependent kinase 1 | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Tyrosine-protein kinase CSK | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Platelet-derived growth factor receptor | 1 |
| 18722033 | 10.1016/j.ejmech.2008.07.002 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| - | 10.1007/s00044-012-0308-3 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine