Compound Detail
CHEMBL4090330
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Basic Information
| ChEMBL ID | CHEMBL4090330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLUSPHXLWLGAGE-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
3.43
ALogP
5
HBA
3
HBD
76.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.22
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.58 | 5.58 | 2626.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | EC50 | 5.22 | 5.13 | 5971.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2626.0 | nM | 5.58 | Inhibition of human N-terminal GST-tagged EGFR L858R/T790M double mutant cytopla... | 28225269 |
| Epidermal growth factor receptor | EC50 | = | 5971.0 | nM | 5.22 | Inhibition of wild-type EGFR in human A431 cells assessed as reduction in cell v... | 28225269 |
| Epidermal growth factor receptor | EC50 | = | 6926.0 | nM | 5.16 | Inhibition of EGFR L858R/T790M double mutant in human NCI-H1975 cells assessed a... | 28225269 |
| Epidermal growth factor receptor | EC50 | = | 9813.0 | nM | 5.01 | Inhibition of EGFR delE746_A750 mutant in human HCC827 cells assessed as reducti... | 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