Compound Detail
CHEMBL440125
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Basic Information
| ChEMBL ID | CHEMBL440125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYPFAIGJJDNPII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.92
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase 2-alpha | IC50 | = | 0.21 | nM | 9.68 | Inhibition of Topo IIalpha (unknown origin) | 37847948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81016-7 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 37847948 | 10.1016/j.bmc.2023.117486 | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine