Compound Detail
CHEMBL1243346
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CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/c1cn(CCF)nn1
Basic Information
| ChEMBL ID | CHEMBL1243346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSMLGVFRQDVJPG-GQCTYLIASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.9
MW (Da)
5.25
ALogP
8
HBA
2
HBD
117.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.39 | 8.39 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.05 | nM | 8.39 | Inhibition of EGFR | 20797871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20797871 | 10.1016/j.bmc.2010.08.004 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine