Compound Detail
CHEMBL208358
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Basic Information
| ChEMBL ID | CHEMBL208358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSIMWMZEBKRAMX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
523.0
MW (Da)
5.36
ALogP
6
HBA
2
HBD
93.2
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of ErbB2 | 16483772 |
| Epidermal growth factor receptor | IC50 | = | 110.0 | nM | 6.96 | Inhibition of EGFR | 16483772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16483772 | 10.1016/j.bmcl.2006.01.111 | Epidermal growth factor receptor | 1 |
| 16483772 | 10.1016/j.bmcl.2006.01.111 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine