Compound Detail
CHEMBL1812570
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O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
Basic Information
| ChEMBL ID | CHEMBL1812570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYWHHNUCYFWUFD-IZZDOVSWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
5.59
ALogP
6
HBA
2
HBD
110.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.67 | 5.67 | 2130.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.46 | 5.46 | 3450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 2130.0 | nM | 5.67 | Antiproliferative activity against human A549 cells expressing EGFR assessed as ... | 21763148 |
| Epidermal growth factor receptor | IC50 | = | 3450.0 | nM | 5.46 | Inhibition of recombinant EGFR expressed in baculovirus infected Sf9 cells after... | 21763148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21763148 | 10.1016/j.bmc.2011.06.044 | A549 | 2 |
| 21763148 | 10.1016/j.bmc.2011.06.044 | B16-F10 | 1 |
| 21763148 | 10.1016/j.bmc.2011.06.044 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine