Compound Detail
CHEMBL108404
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Basic Information
| ChEMBL ID | CHEMBL108404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEKUPFRACRBFRB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.57
ALogP
5
HBA
3
HBD
89.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase II CHEMBL2094255 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase II | IC50 | = | 116.0 | nM | 6.94 | In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation | 7650675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650675 | 10.1021/jm00017a006 | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine