Compound Detail
CHEMBL3353774
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Basic Information
| ChEMBL ID | CHEMBL3353774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNJYVIQKQYYFOW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
5.44
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.02 | 5.02 | 9630.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.36 | 4.36 | 43280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 9630.0 | nM | 5.02 | Cytotoxicity against human HCT15 cells after 2 days by CCK-8 assay | 25481396 |
| MCF7 | IC50 | = | 43280.0 | nM | 4.36 | Cytotoxicity against human MCF7 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 1 | 1 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | DNA topoisomerase 2-alpha | 1 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | MCF7 | 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