Compound Detail
CHEMBL1812137
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Basic Information
| ChEMBL ID | CHEMBL1812137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWIAICGWVZLAEW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.25
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.42 | 5.385 | 3820.0 | 2 |
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 5.31 | 5.31 | 4880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3820.0 | nM | 5.42 | Antitumor against human GLC82 cells assessed as cell survival after 48 hrs by MT... | 21600681 |
| NON-PROTEIN TARGET | IC50 | = | 4470.0 | nM | 5.35 | Antitumor against human CNE2 cells assessed as cell survival after 48 hrs by MTT... | 21600681 |
| DNA topoisomerase 2-alpha | IC50 | = | 4880.0 | nM | 5.31 | Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR... | 21600681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21600681 | 10.1016/j.ejmech.2011.04.059 | DNA topoisomerase 2-alpha | 2 |
| 21600681 | 10.1016/j.ejmech.2011.04.059 | NON-PROTEIN TARGET | 2 |
| 21600681 | 10.1016/j.ejmech.2011.04.059 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine