Compound Detail
CHEMBL4443413
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
CCC(=O)N1CC[C@@H](n2c(=O)c(-c3ccccc3Cl)c(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1
Basic Information
| ChEMBL ID | CHEMBL4443413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMSWQUOSJSTBDR-XMMPIXPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
600.2
MW (Da)
5.41
ALogP
8
HBA
1
HBD
86.6
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.09 | 7.09 | 81.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 81.7 | nM | 7.09 | Inhibition of human C-terminal His-tagged and N-terminal GST-tagged EGFR L858R/T... | 31298540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31298540 | 10.1021/acs.jmedchem.9b00576 | Epidermal growth factor receptor | 4 |
Data from ChEMBL 36 via Core Engine