Compound Detail
CHEMBL4560998
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 | CHEMBL4560998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQCLAZVGEAFCEC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.7
MW (Da)
7.14
ALogP
8
HBA
2
HBD
99.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.06 | 5.06 | 8630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 8630.0 | nM | 5.06 | Inhibition of probe binding to wild type EGFR (unknown origin) using rabbit reti... | 31023512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31023512 | 10.1016/j.bmcl.2019.04.029 | Epidermal growth factor receptor | 2 |
| 31023512 | 10.1016/j.bmcl.2019.04.029 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 31023512 | 10.1016/j.bmcl.2019.04.029 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine