Compound Detail
CHEMBL1812566
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Basic Information
| ChEMBL ID | CHEMBL1812566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXWGKWRQLRKZLP-DHZHZOJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
5.69
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.18 | 5.18 | 6630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 6630.0 | nM | 5.18 | Inhibition of recombinant EGFR expressed in baculovirus infected Sf9 cells after... | 21763148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21763148 | 10.1016/j.bmc.2011.06.044 | A549 | 1 |
| 21763148 | 10.1016/j.bmc.2011.06.044 | B16-F10 | 1 |
| 21763148 | 10.1016/j.bmc.2011.06.044 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine