Compound Detail
CHEMBL394056
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Basic Information
| ChEMBL ID | CHEMBL394056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJHHXMMEZIIKRB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
4.16
ALogP
7
HBA
1
HBD
69.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 340.0 | nM | 6.47 | Inhibition of EGFR | 17270437 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells | 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 |
| 17270437 | 10.1016/j.bmcl.2007.01.002 | HT-29 | 1 |
| 17270437 | 10.1016/j.bmcl.2007.01.002 | A2780 | 1 |
| 17270437 | 10.1016/j.bmcl.2007.01.002 | Liver | 1 |
Data from ChEMBL 36 via Core Engine