Compound Detail
CHEMBL3353775
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Basic Information
| ChEMBL ID | CHEMBL3353775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOWXIVCDPSYHFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
5.64
ALogP
3
HBA
0
HBD
26.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.5 | 4.5 | 31600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 31600.0 | nM | 4.5 | Cytotoxicity against human HCT15 cells after 2 days by CCK-8 assay | 25481396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25481396 | 10.1016/j.bmc.2014.11.010 | DNA topoisomerase 2-alpha | 3 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | DNA topoisomerase 1 | 2 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | MCF7 | 1 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | HeLa | 1 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | DU-145 | 1 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine