Compound Detail
CHEMBL39811
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL39811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGDBKHJMLZCBJH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.4
MW (Da)
4.61
ALogP
5
HBA
2
HBD
60.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.12 | 7.605 | 7.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 7.5 | nM | 8.12 | Inhibition of the phosphorylation of a random polyglutamic acid/tyrosine copolym... | 9154973 |
| Epidermal growth factor receptor | IC50 | = | 7.586 | nM | 8.12 | Inhibition of human recombinant EGFR | 19170633 |
| Epidermal growth factor receptor | IC50 | = | 81.0 | nM | 7.09 | Inhibition of autophosphorylation of epidermal growth factor receptor prepared f... | 9154973 |
| Epidermal growth factor receptor | IC50 | = | 81.28 | nM | 7.09 | 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 |
| 19170633 | 10.1021/jm800829v | Epidermal growth factor receptor | 1 |
| 17689836 | 10.1016/j.ejmech.2007.06.006 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine