Compound Detail
CHEMBL3972981
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Basic Information
| ChEMBL ID | CHEMBL3972981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTPYUJWYCFGJSX-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
5.46
ALogP
5
HBA
1
HBD
60.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 22.0 | nM | 7.66 | Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 ... | 27235841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27235841 | 10.1016/j.ejmech.2016.04.054 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine