Compound Detail
CHEMBL4284413
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Basic Information
| ChEMBL ID | CHEMBL4284413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWRVRDCBFYLYFU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.48
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.62 | 7.62 | 24.0 | 4 |
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 EGFR L858R mutant expressed in Sf9 cells in presence of 1 mM... | 28526474 |
| Epidermal growth factor receptor | IC50 | = | 24.0 | nM | 7.62 | Inhibition of EGFR L858R/T790M double mutant (unknown origin) | 34323489 |
| Epidermal growth factor receptor | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human GST-tagged EGFR L858R/T790M mutant expressed in Sf9 insect c... | 33243531 |
| Epidermal growth factor receptor | IC50 | = | 24.0 | nM | 7.62 | Inhibition of EGFR Del19/T790M/C797S mutant (unknown origin) | 39143914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28526474 | 10.1016/j.ejmech.2017.05.027 | Epidermal growth factor receptor | 2 |
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Epidermal growth factor receptor | 2 |
| 33243531 | 10.1016/j.ejmech.2020.112995 | Epidermal growth factor receptor | 2 |
| 37952262 | 10.1016/j.bmc.2023.117534 | Unchecked | 2 |
| 37952262 | 10.1016/j.bmc.2023.117534 | Epidermal growth factor receptor | 2 |
| 37952262 | 10.1016/j.bmc.2023.117534 | NCI-H1975 | 1 |
| 39143914 | 10.1021/acs.jmedchem.4c00361 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine