Compound Detail
CHEMBL3360615
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COc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCCCCCCn1ccnc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL3360615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSCRLXLRKXZLMH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
621.1
MW (Da)
7.50
ALogP
10
HBA
1
HBD
126.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.45 | 7.45 | 35.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 35.5 | nM | 7.45 | Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay | 25468044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25468044 | 10.1016/j.bmc.2014.10.038 | A549 | 2 |
| 25468044 | 10.1016/j.bmc.2014.10.038 | HT-29 | 2 |
| 25468044 | 10.1016/j.bmc.2014.10.038 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine