Compound Detail
CHEMBL4069284
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Basic Information
| ChEMBL ID | CHEMBL4069284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGNJEJYIEUAIFO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.65
ALogP
5
HBA
3
HBD
76.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.07 | 5.04 | 8470.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 8470.0 | nM | 5.07 | Inhibition of human N-terminal GST-tagged EGFR L858R mutant cytoplasmic domain (... | 28225269 |
| Epidermal growth factor receptor | IC50 | = | 9726.0 | nM | 5.01 | Inhibition of human N-terminal GST-tagged EGFR L858R/T790M double mutant cytopla... | 28225269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28225269 | 10.1021/acs.jmedchem.6b01626 | Epidermal growth factor receptor | 6 |
Data from ChEMBL 36 via Core Engine