Compound Detail
CHEMBL211436
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CN(C)/[N+]([O-])=N\Oc1cc(Nc2ccc(C(=O)O)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL211436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAARCECGRZMFSP-HEHNFIMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.3
MW (Da)
2.68
ALogP
9
HBA
2
HBD
186.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 9100.0 | nM | 5.04 | 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