Compound Detail
CHEMBL1161234
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Basic Information
| ChEMBL ID | CHEMBL1161234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWBXRICFTFJDSS-BJMVGYQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
1.75
ALogP
6
HBA
3
HBD
133.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 4.8 | 4.8 | 15848.9 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.32 | 4.32 | 47863.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 15848.93 | nM | 4.8 | Inhibitory activity tested against protein kinase HER-2 | 14561085 |
| Epidermal growth factor receptor | IC50 | = | 47863.01 | nM | 4.32 | Inhibitory activity against epidermal growth factor receptor (EGFR) | 14561085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561085 | 10.1021/jm030065n | Epidermal growth factor receptor | 1 |
| 14561085 | 10.1021/jm030065n | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine