Compound Detail
CHEMBL133780
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Basic Information
| ChEMBL ID | CHEMBL133780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPMCPOFOFJHYDP-ZTKZIYFRSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
5.26
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.01
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase II CHEMBL2094255 | EC50 | 6.01 | 6.01 | 980.0 | 1 |
| P388 CHEMBL389 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase II | EC50 | = | 980.0 | nM | 6.01 | Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified He... | - |
| P388 | IC50 | = | 1000.0 | nM | 6.0 | 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 |
| - | 10.1016/0960-894X(95)00043-S | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine