Compound Detail
CHEMBL96510
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Basic Information
| ChEMBL ID | CHEMBL96510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISQTYKAFNUVODK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.3
MW (Da)
3.69
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
EC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase II CHEMBL2094255 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.05 | 4.985 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase II | EC50 | = | 1200.0 | nM | 5.92 | Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleava... | 8410993 |
| CHO | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of CHO cell proliferation by colony-forming assay | 19595598 |
| CHO | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of verapamil-resistant CHO cell proliferation by colony-forming assay | 19595598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19595598 | 10.1016/j.bmc.2009.06.053 | CHO | 2 |
| 8410993 | 10.1021/jm00071a010 | DNA topoisomerase II | 1 |
| 19595598 | 10.1016/j.bmc.2009.06.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine