Compound Detail
CHEMBL126791
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Basic Information
| ChEMBL ID | CHEMBL126791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QENYREVCVOGEQU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.3
MW (Da)
4.23
ALogP
7
HBA
2
HBD
80.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.29 | 9.29 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.51 | nM | 9.29 | Inhibition of epidermal growth factor receptor (EGFR) from human A431 carcinoma ... | 9397172 |
| Epidermal growth factor receptor | IC50 | = | 0.5129 | nM | 9.29 | Inhibition of human recombinant EGFR | 19170633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9397172 | 10.1021/jm970366v | Epidermal growth factor receptor | 1 |
| 9397172 | 10.1021/jm970366v | No relevant target | 1 |
| 19170633 | 10.1021/jm800829v | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine