Compound Detail
CHEMBL441631
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Basic Information
| ChEMBL ID | CHEMBL441631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUYSIYPMTRHBAI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
4.13
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase II CHEMBL2094255 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase II | EC50 | = | 13000.0 | nM | 4.89 | Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleava... | 8410993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629792 | 10.1021/jm00014a005 | Staphylococcus aureus | 1 |
| 7629792 | 10.1021/jm00014a005 | Enterococcus faecalis | 1 |
| 7629792 | 10.1021/jm00014a005 | Streptococcus pyogenes | 1 |
| 7629792 | 10.1021/jm00014a005 | Escherichia coli | 1 |
| 7629792 | 10.1021/jm00014a005 | Pseudomonas aeruginosa | 1 |
| 7629792 | 10.1021/jm00014a005 | Bacteroides fragilis | 1 |
| 8410993 | 10.1021/jm00071a010 | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine