Compound Detail
CHEMBL105053
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Basic Information
| ChEMBL ID | CHEMBL105053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAKMPELDDUIRHT-CQSZACIVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.75
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.48 | 8.24 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3.3 | nM | 8.48 | Inhibition of EGFR by Z-LYTE assay | 22018877 |
| Epidermal growth factor receptor | IC50 | = | 10.0 | nM | 8.0 | Inhibition of EGF-induced Tyrosine phosphorylation in A431 cells expressing EGF-... | 11520212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22018877 | 10.1016/j.ejmech.2011.10.012 | Epidermal growth factor receptor | 2 |
| 11520212 | 10.1021/jm010888h | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine