Compound Detail
CHEMBL3323433
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Basic Information
| ChEMBL ID | CHEMBL3323433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNMSTMADLQBBOV-UHFFFAOYSA-N |
1
Targets
1
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 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T47D CHEMBL614361 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T47D | IC50 | = | 50000.0 | nM | 4.3 | Cytotoxicity against human T47D 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