Compound Detail
CHEMBL337666
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Basic Information
| ChEMBL ID | CHEMBL337666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQLJPJIOOGJXRA-LFVJCYFKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.71
ALogP
4
HBA
1
HBD
56.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.77
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase II CHEMBL2094255 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| P388 CHEMBL389 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase II | EC50 | = | 1700.0 | nM | 5.77 | Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified He... | - |
| P388 | IC50 | = | 3000.0 | nM | 5.52 | In vitro cytotoxicity was determined by quantitating P388 murine leukemia cells ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00043-S | DNA topoisomerase II | 1 |
| - | 10.1016/0960-894X(95)00043-S | P388 | 1 |
Data from ChEMBL 36 via Core Engine