Compound Detail
CHEMBL47526
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Basic Information
| ChEMBL ID | CHEMBL47526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKTHACHRCZOTPA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
2.42
ALogP
8
HBA
8
HBD
179.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase II CHEMBL2094255 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| DNA topoisomerase 1 CHEMBL1781 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase II | IC50 | = | 220.0 | nM | 6.66 | Inhibitory concentration against relaxation activity of DNA topoisomerase II by ... | 15026047 |
| DNA topoisomerase 1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory concentration against relaxation activity of DNA topoisomerase I by d... | 15026047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026047 | 10.1016/j.bmcl.2004.01.060 | DNA topoisomerase 1 | 1 |
| 15026047 | 10.1016/j.bmcl.2004.01.060 | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine