Compound Detail
CHEMBL481324
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CS(=O)(=O)CCNCc1ccc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)s1
Basic Information
| ChEMBL ID | CHEMBL481324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKGQZQGDXLIZTP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
603.2
MW (Da)
6.67
ALogP
9
HBA
2
HBD
93.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 96.0 | nM | 7.02 | Inhibition of EGFR | 19111461 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 95.0 | nM | 7.02 | Inhibition of ErbB2 | 19111461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19111461 | 10.1016/j.bmcl.2008.12.011 | Epidermal growth factor receptor | 1 |
| 19111461 | 10.1016/j.bmcl.2008.12.011 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine