Compound Detail
CHEMBL4778159
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Basic Information
| ChEMBL ID | CHEMBL4778159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKLAEEXSKVRKRN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
3.02
ALogP
6
HBA
1
HBD
80.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.62 | 7.48 | 24.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.08 | 7.08 | 83.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insec... | 33062157 |
| Epidermal growth factor receptor | IC50 | = | 45.3 | nM | 7.34 | Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF st... | 33062157 |
| Unchecked | IC50 | = | 83.5 | nM | 7.08 | Inhibition of EGFRvIII mutant in human U87 cells assessed as phosphorylation aft... | 33062157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062157 | 10.1021/acsmedchemlett.9b00599 | Unchecked | 3 |
| 33062157 | 10.1021/acsmedchemlett.9b00599 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine