Compound Detail
CHEMBL3622642
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
CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)cc3)ncnc2cc1O[C@H]1CCOC1
Basic Information
| ChEMBL ID | CHEMBL3622642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYNJDFMFFIERLA-OGPASDKVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.6
MW (Da)
5.32
ALogP
8
HBA
2
HBD
97.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.87 | 6.87 | 133.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 133.9 | nM | 6.87 | Inhibition of EGFR (unknown origin) by ELISA method | 26310890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26310890 | 10.1016/j.ejmech.2015.08.026 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine