Compound Detail
CHEMBL289162
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Basic Information
| ChEMBL ID | CHEMBL289162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBFIWURGLMUIDN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.2
MW (Da)
4.18
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.29 | 6.5967 | 5.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 5.1 | nM | 8.29 | Inhibition of the phosphorylation of a random polyglutamic acid/tyrosine copolym... | 9154973 |
| Epidermal growth factor receptor | IC50 | = | 1780.0 | nM | 5.75 | Inhibition of autophosphorylation of epidermal growth factor receptor prepared f... | 9154973 |
| Epidermal growth factor receptor | IC50 | = | 1778.28 | nM | 5.75 | Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA | 17689836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154973 | 10.1021/jm960789h | Epidermal growth factor receptor | 2 |
| 17689836 | 10.1016/j.ejmech.2007.06.006 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine