Compound Detail
CHEMBL109468
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O=C(O)CCC(=O)Nc1cc(COC(=O)CCC(=O)O)cc(Nc2c3ccccc3nc3ccccc23)c1
Basic Information
| ChEMBL ID | CHEMBL109468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYAHPJAYAPUFBJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
4.84
ALogP
7
HBA
4
HBD
154.9
PSA (Ų)
0.16
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| CCRF S-180 CHEMBL614027 | IC50 | 5.74 | 5.74 | 1830.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.37 | 5.37 | 4295.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 990.0 | nM | 6.0 | The compound was tested for the cytotoxicity against L1210 cell lines | 7650675 |
| CCRF S-180 | IC50 | = | 1830.0 | nM | 5.74 | The compound was tested for the cytotoxicity against S180 cell lines | 7650675 |
| HL-60 | IC50 | = | 4295.0 | nM | 5.37 | In vitro cytotoxicity against human leukemic HL-60 cell line. | 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