Compound Detail
CHEMBL1806678
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COC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl
Basic Information
| ChEMBL ID | CHEMBL1806678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCKIJPICCFTNGP-ISLYRVAYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
414.2
MW (Da)
5.08
ALogP
8
HBA
0
HBD
140.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 980.0 | nM | 6.01 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 21550697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Mycolicibacterium smegmatis | 2 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Staphylococcus aureus | 2 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Escherichia coli | 2 |
| 21550697 | 10.1016/j.ejmech.2011.04.024 | HeLa | 1 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Saccharomyces cerevisiae | 1 |
Data from ChEMBL 36 via Core Engine