Compound Detail
CHEMBL3353767
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Basic Information
| ChEMBL ID | CHEMBL3353767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJILWEXSRDZUDV-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
5.58
ALogP
2
HBA
0
HBD
26.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.28 | 5.28 | 5220.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.11 | 4.89 | 7740.0 | 3 |
| DU-145 CHEMBL613508 | IC50 | 5.11 | 5.11 | 7740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 5220.0 | nM | 5.28 | Cytotoxicity against human HeLa cells after 2 days by CCK-8 assay | 25481396 |
| DU-145 | IC50 | = | 7740.0 | nM | 5.11 | Cytotoxicity against human DU145 cells after 2 days by CCK-8 assay | 25481396 |
| NON-PROTEIN TARGET | IC50 | = | 7740.0 | nM | 5.11 | Antiproliferative activity against human DU145 cells after 72 hrs by CCK8 assay | 27643560 |
| NON-PROTEIN TARGET | IC50 | = | 16600.0 | nM | 4.78 | Cytotoxicity against human HCT15 cells after 2 days by CCK-8 assay | 25481396 |
| NON-PROTEIN TARGET | IC50 | = | 16600.0 | nM | 4.78 | Antiproliferative activity against human HeLa cells after 72 hrs by CCK8 assay | 27643560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25481396 | 10.1016/j.bmc.2014.11.010 | DNA topoisomerase 1 | 3 |
| 27643560 | 10.1016/j.ejmech.2016.09.019 | NON-PROTEIN TARGET | 3 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | DNA topoisomerase 2-alpha | 2 |
| 27643560 | 10.1016/j.ejmech.2016.09.019 | DNA topoisomerase 1 | 2 |
| 27643560 | 10.1016/j.ejmech.2016.09.019 | DNA topoisomerase 2-alpha | 2 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | NON-PROTEIN TARGET | 1 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | DU-145 | 1 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | HeLa | 1 |
| 25481396 | 10.1016/j.bmc.2014.11.010 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine