Compound Detail
CHEMBL273201
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O=C(OCC(Cl)(Cl)Cl)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1
Basic Information
| ChEMBL ID | CHEMBL273201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWLBLBOWVSEBFL-XLNRJJMWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
2.80
ALogP
9
HBA
0
HBD
166.7
PSA (Ų)
0.19
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against human U937 cells after 24 hrs | 19364650 |
| HL-60 | IC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against human HL60 cells after 24 hrs | 19364650 |
| HL-60 | IC50 | = | 8300.0 | nM | 5.08 | Antileukemic activity in human HL60 cells assessed as nitric oxide release | 18178089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18178089 | 10.1016/j.bmcl.2007.12.044 | HL-60 | 1 |
| 19364650 | 10.1016/j.bmcl.2009.03.115 | No relevant target | 1 |
| 19364650 | 10.1016/j.bmcl.2009.03.115 | HL-60 | 1 |
| 19364650 | 10.1016/j.bmcl.2009.03.115 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine