Compound Detail
CHEMBL4856453
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Basic Information
| ChEMBL ID | CHEMBL4856453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAQNYFSLRWSRKL-SEYXRHQNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
4.34
ALogP
6
HBA
2
HBD
98.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.48 | 7.48 | 33.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 33.1 | nM | 7.48 | Inhibition of EGFR (unknown origin) | 33771586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33771586 | 10.1016/j.bmcl.2021.127987 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine