Compound Detail
CHEMBL5171139
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Basic Information
| ChEMBL ID | CHEMBL5171139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNRWAFNZNOEGGS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
3.42
ALogP
7
HBA
1
HBD
93.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 460.0 | nM | 6.34 | Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) phosphorylation exp... | 36178776 |
| BaF3 | IC50 | = | 1200.0 | nM | 5.92 | Cytotoxicity against mouse BaF3 cells expressing EGFR L858R/T790M/C797S mutant a... | 36178776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36178776 | 10.1021/acs.jmedchem.2c00893 | BaF3 | 4 |
| 36178776 | 10.1021/acs.jmedchem.2c00893 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine