Compound Detail
CHEMBL259990
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Basic Information
| ChEMBL ID | CHEMBL259990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZQZCDGZTLKJKS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
-0.63
ALogP
6
HBA
1
HBD
101.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 5.12 | 5.12 | 7640.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.04 | 5.04 | 9020.0 | 1 |
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 4.28 | 4.28 | 52800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 7640.0 | nM | 5.12 | Cytotoxicity against human SKOV3 cells after 3 days by SRB assay | 18321715 |
| A549 | IC50 | = | 9020.0 | nM | 5.04 | Cytotoxicity against human A549 cells after 3 days by SRB assay | 18321715 |
| DNA topoisomerase 2-alpha | IC50 | = | 52800.0 | nM | 4.28 | Inhibition of human recombinant topoisomerase 2 by decatenation assay | 18321715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18321715 | 10.1016/j.bmc.2008.02.049 | A549 | 1 |
| 18321715 | 10.1016/j.bmc.2008.02.049 | SK-OV-3 | 1 |
| 18321715 | 10.1016/j.bmc.2008.02.049 | SK-MEL-2 | 1 |
| 18321715 | 10.1016/j.bmc.2008.02.049 | XF498 | 1 |
| 18321715 | 10.1016/j.bmc.2008.02.049 | HCT-15 | 1 |
| 18321715 | 10.1016/j.bmc.2008.02.049 | SNU-638 | 1 |
| 18321715 | 10.1016/j.bmc.2008.02.049 | HT-1080 | 1 |
| 18321715 | 10.1016/j.bmc.2008.02.049 | HL-60 | 1 |
| 18321715 | 10.1016/j.bmc.2008.02.049 | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine