Compound Detail
CHEMBL1683963
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
C/C(=C\c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCN1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL1683963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTCDSBCIETVDQK-XMHGGMMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
540.0
MW (Da)
4.75
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of EGFR by homogeneous time-resolved fluorescence assay | 21334203 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 81.0 | nM | 7.09 | Inhibition of HER2 by homogeneous time-resolved fluorescence assay | 21334203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21334203 | 10.1016/j.bmcl.2011.01.119 | Epidermal growth factor receptor | 1 |
| 21334203 | 10.1016/j.bmcl.2011.01.119 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine