Compound Detail
CHEMBL2316356
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O=c1c(/C=C/C(O)c2ccc([N+](=O)[O-])cc2)coc2cccc(OCC3CCCCC3)c12
Basic Information
| ChEMBL ID | CHEMBL2316356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGKOLOXHZKWTQS-SDNWHVSQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
5.41
ALogP
6
HBA
1
HBD
102.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-5 CHEMBL1163111 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-5 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of IL-5 in mouse pro-B Y16 cells after 48 hrs by WST1 assay | 23202848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23202848 | 10.1016/j.ejmech.2012.11.007 | Interleukin-5 | 2 |
Data from ChEMBL 36 via Core Engine