Compound Detail
CHEMBL396079
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Basic Information
| ChEMBL ID | CHEMBL396079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZOONDSECSSONX-QFIPXVFZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
2.77
ALogP
10
HBA
2
HBD
103.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-N87 CHEMBL614197 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-N87 | IC50 | = | 240.0 | nM | 6.62 | Antiproliferative activity against human N87 cells | 17270437 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells | 17270437 |
| Epidermal growth factor receptor | IC50 | = | 500.0 | nM | 6.3 | Inhibition of EGFR | 17270437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17270437 | 10.1016/j.bmcl.2007.01.002 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 17270437 | 10.1016/j.bmcl.2007.01.002 | Epidermal growth factor receptor | 1 |
| 17270437 | 10.1016/j.bmcl.2007.01.002 | NCI-N87 | 1 |
Data from ChEMBL 36 via Core Engine