Compound Detail
CHEMBL322325
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL322325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIJBBQOFQUEJCL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.90
ALogP
5
HBA
3
HBD
77.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase II CHEMBL2094255 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase II | IC50 | = | 54.0 | nM | 7.27 | 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