Compound Detail
CHEMBL326274
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Basic Information
| ChEMBL ID | CHEMBL326274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNISWACPPPLCTA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
4.43
ALogP
5
HBA
4
HBD
111.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| CCRF S-180 CHEMBL614027 | IC50 | 5.97 | 5.97 | 1070.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.3 | 5.3 | 4995.0 | 1 |
| DNA topoisomerase II CHEMBL2094255 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 330.0 | nM | 6.48 | The compound was tested for the cytotoxicity against L1210 cell lines | 7650675 |
| CCRF S-180 | IC50 | = | 1070.0 | nM | 5.97 | The compound was tested for the cytotoxicity against S180 cell lines | 7650675 |
| HL-60 | IC50 | = | 4995.0 | nM | 5.3 | In vitro cytotoxicity against human leukemic HL-60 cell line. | 7650675 |
| DNA topoisomerase II | IC50 | = | 20000.0 | nM | 4.7 | In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation | 7650675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650675 | 10.1021/jm00017a006 | DNA topoisomerase II | 1 |
| 7650675 | 10.1021/jm00017a006 | HL-60 | 1 |
| 7650675 | 10.1021/jm00017a006 | L1210 | 1 |
| 7650675 | 10.1021/jm00017a006 | CCRF S-180 | 1 |
Data from ChEMBL 36 via Core Engine