Compound Detail
CHEMBL4566193
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Basic Information
| ChEMBL ID | CHEMBL4566193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUHCGNIUATXAJQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
3.61
ALogP
7
HBA
1
HBD
84.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Epidermal growth factor receptor CHEMBL3608 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.2 | nM | 8.92 | Inhibition of phosphorylated EGFR del19/T790M/C797S triple mutant (unknown origi... | 31689114 |
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition of EGFR del19/T790M/C797S triple mutant in mouse BAF3 cells assessed ... | 31689114 |
| Epidermal growth factor receptor | IC50 | = | 270.0 | nM | 6.57 | Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell p... | 31689114 |
| BaF3 | IC50 | = | 330.0 | nM | 6.48 | Cytotoxicity against mouse BAF3 cells incubated for 72 hrs by Celltiter-Glo lumi... | 31689114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31689114 | 10.1021/acs.jmedchem.9b01169 | Epidermal growth factor receptor | 2 |
| 31689114 | 10.1021/acs.jmedchem.9b01169 | Unchecked | 2 |
| 31689114 | 10.1021/acs.jmedchem.9b01169 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine