Compound Detail
CHEMBL3633934
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
CCOC(=O)C(=CNc1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c2c1)C(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL3633934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSOJETPJLCRYOH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
601.0
MW (Da)
7.26
ALogP
9
HBA
2
HBD
111.7
PSA (Ų)
0.08
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibition of EGFR (unknown origin) after 120 mins by HotSpot assay | 26475520 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of HER2 (unknown origin) after 120 mins by HotSpot assay | 26475520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Epidermal growth factor receptor | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine