Compound Detail
CHEMBL205045
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Basic Information
| ChEMBL ID | CHEMBL205045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCIKLSSUHGYTCI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
5.39
ALogP
5
HBA
1
HBD
59.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 17.0 | nM | 7.77 | Inhibition of EGFR | 16483772 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of ErbB2 | 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