Compound Detail
CHEMBL4576802
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Basic Information
| ChEMBL ID | CHEMBL4576802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNTYSAQKPONNER-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.0
MW (Da)
5.99
ALogP
7
HBA
2
HBD
87.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.66 | 6.3933 | 219.0 | 3 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 219.0 | nM | 6.66 | Inhibition of probe binding to EGFR L858R mutant (unknown origin) using rabbit r... | 31023512 |
| Epidermal growth factor receptor | IC50 | = | 550.0 | nM | 6.26 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
| Epidermal growth factor receptor | IC50 | = | 550.0 | nM | 6.26 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 550.0 | nM | 6.26 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31023512 | 10.1016/j.bmcl.2019.04.029 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine