Compound Detail
CHEMBL243837
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CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(Cl)c4)=CC3=O)c2cc1NC(=O)/C=C/CN(C)C
Basic Information
| ChEMBL ID | CHEMBL243837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYNKFMRSHNIJPN-RMKNXTFCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
562.0
MW (Da)
4.29
ALogP
9
HBA
2
HBD
122.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.91 | 7.68 | 12.2 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.1 | 6.925 | 80.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 12.2 | nM | 7.91 | Inhibition of human EGFR in presence of 1 uM ATP | 17416531 |
| Epidermal growth factor receptor | IC50 | = | 35.6 | nM | 7.45 | Inhibition of human EGFR in presence of 1 mM ATP | 17416531 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 80.2 | nM | 7.1 | Inhibition of human VEGFR2 in presence of 1 uM ATP | 17416531 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 178.8 | nM | 6.75 | Inhibition of human VEGFR2 in presence of 1 mM ATP | 17416531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17416531 | 10.1016/j.bmc.2007.03.055 | Epidermal growth factor receptor | 3 |
| 17416531 | 10.1016/j.bmc.2007.03.055 | Vascular endothelial growth factor receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine