Compound Detail
CHEMBL3409484
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CS(=O)(=O)CCNCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1
Basic Information
| ChEMBL ID | CHEMBL3409484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOOADDNERSICKU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
4.74
ALogP
9
HBA
2
HBD
119.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 25.0 | nM | 7.6 | Inhibition of EGFR intracellular domain (unknown origin) purified from a baculov... | 25794791 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of ErbB-2 intracellular domain (unknown origin) purified from a bacul... | 25794791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25794791 | 10.1016/j.ejmech.2015.03.029 | Epidermal growth factor receptor | 1 |
| 25794791 | 10.1016/j.ejmech.2015.03.029 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine