Compound Detail
CHEMBL3884650
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Basic Information
| ChEMBL ID | CHEMBL3884650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBKVOLFDQSJIGK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.44
ALogP
5
HBA
0
HBD
51.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.07 | 5.07 | 8520.0 | 1 |
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 4.06 | 4.06 | 87580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 8520.0 | nM | 5.07 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 27521587 |
| DNA topoisomerase 2-alpha | IC50 | = | 87580.0 | nM | 4.06 | Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplas... | 27521587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27521587 | 10.1016/j.ejmech.2016.07.063 | Unchecked | 6 |
| 27521587 | 10.1016/j.ejmech.2016.07.063 | NON-PROTEIN TARGET | 2 |
| 27521587 | 10.1016/j.ejmech.2016.07.063 | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine