Compound Detail
CHEMBL4212326
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Basic Information
| ChEMBL ID | CHEMBL4212326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEWPNYVVNKGXKD-ZDUSSCGKSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
1.77
ALogP
9
HBA
2
HBD
105.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Ki 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.28 | 6.735 | 52.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Ki | = | 36.0 | nM | 7.44 | Inhibition of EGFR T790M/L858R double mutant (unknown origin) | 28287730 |
| Epidermal growth factor receptor | IC50 | = | 52.0 | nM | 7.28 | Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cell... | 28287730 |
| Epidermal growth factor receptor | IC50 | = | 652.0 | nM | 6.19 | Inhibition of EGF-stimulated wild-type EGFR phosphorylation in human A549 cells ... | 28287730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28287730 | 10.1021/acs.jmedchem.6b01894 | Epidermal growth factor receptor | 4 |
| 28287730 | 10.1021/acs.jmedchem.6b01894 | No relevant target | 2 |
| 28287730 | 10.1021/acs.jmedchem.6b01894 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine