Compound Detail
CHEMBL3323419
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Basic Information
| ChEMBL ID | CHEMBL3323419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBQGXMIHQDTWFK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
5.20
ALogP
4
HBA
3
HBD
73.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
| T47D CHEMBL614361 | IC50 | 5.6 | 5.6 | 2510.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 5.3 | 5.3 | 5040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 140.0 | nM | 6.85 | Cytotoxicity against HEK293 cells after 4 days by CCK-8 assay | 25062006 |
| NON-PROTEIN TARGET | IC50 | = | 2180.0 | nM | 5.66 | Cytotoxicity against human HCT15 cells after 4 days by CCK-8 assay | 25062006 |
| T47D | IC50 | = | 2510.0 | nM | 5.6 | Cytotoxicity against human T47D cells after 4 days by CCK-8 assay | 25062006 |
| DU-145 | IC50 | = | 5040.0 | nM | 5.3 | Cytotoxicity against human DU145 cells after 4 days by CCK-8 assay | 25062006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25062006 | 10.1016/j.ejmech.2014.07.058 | DNA topoisomerase 2-alpha | 2 |
| 25062006 | 10.1016/j.ejmech.2014.07.058 | DNA topoisomerase 1 | 1 |
| 25062006 | 10.1016/j.ejmech.2014.07.058 | HEK293 | 1 |
| 25062006 | 10.1016/j.ejmech.2014.07.058 | DU-145 | 1 |
| 25062006 | 10.1016/j.ejmech.2014.07.058 | NON-PROTEIN TARGET | 1 |
| 25062006 | 10.1016/j.ejmech.2014.07.058 | T47D | 1 |
Data from ChEMBL 36 via Core Engine