Compound Detail
CHEMBL209865
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O=[N+]([O-])c1ccc(O/N=[N+](/[O-])N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL209865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKATUYHNNHFNJU-OQKWZONESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.3
MW (Da)
2.50
ALogP
8
HBA
0
HBD
140.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human HL60 cell line | 16821795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821795 | 10.1021/jm060022h | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine