Compound Detail
CHEMBL3330525
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 | CHEMBL3330525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKWNZCUHONOZLY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
5.14
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 1900.0 | nM | 5.72 | Cytotoxicity against human HeLa cells after 72 hrs by sulforhodamine B assay | 25240702 |
| A549 | IC50 | = | 3500.0 | nM | 5.46 | Cytotoxicity against human A549 cells after 72 hrs by sulforhodamine B assay | 25240702 |
| MDA-MB-231 | IC50 | = | 4500.0 | nM | 5.35 | Cytotoxicity against human MDA-MB-231 cells after 72 hrs by sulforhodamine B ass... | 25240702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25240702 | 10.1016/j.ejmech.2014.08.073 | DNA topoisomerase 2-alpha | 2 |
| 25240702 | 10.1016/j.ejmech.2014.08.073 | MDA-MB-231 | 1 |
| 25240702 | 10.1016/j.ejmech.2014.08.073 | A549 | 1 |
| 25240702 | 10.1016/j.ejmech.2014.08.073 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine