Compound Detail
CHEMBL562185
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccnc3ccc4[nH]ccc4c23)cc1
Basic Information
| ChEMBL ID | CHEMBL562185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCWAIHACGFGXIS-KGVSQERTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
6.26
ALogP
5
HBA
2
HBD
100.9
PSA (Ų)
0.14
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1200.0 | nM | 5.92 | Antiproliferative activity against human JR8 cells after 72 hrs by trypan blue a... | 19155103 |
| HL-60 | IC50 | = | 4400.0 | nM | 5.36 | Antiproliferative activity against human HL60 cells after 72 hrs by trypan blue ... | 19155103 |
| HeLa | IC50 | = | 10400.0 | nM | 4.98 | Antiproliferative activity against human HeLa cells after 72 hrs by trypan blue ... | 19155103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19155103 | 10.1016/j.ejmech.2008.12.011 | DNA topoisomerase 2-alpha | 5 |
| 19155103 | 10.1016/j.ejmech.2008.12.011 | HL-60 | 1 |
| 19155103 | 10.1016/j.ejmech.2008.12.011 | HeLa | 1 |
| 19155103 | 10.1016/j.ejmech.2008.12.011 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine