Compound Detail
CHEMBL427183
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Basic Information
| ChEMBL ID | CHEMBL427183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMEJLXYWBXIHMZ-JRFVFWCSSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
5.15
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.77
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.55
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Oxysterols receptor LXR-beta CHEMBL4093 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 1590.0 | nM | 5.8 | Antiviral activity against oseltamivir/amantadine-resistant Influenza A virus (A... | 25815159 |
| Oxysterols receptor LXR-alpha | IC50 | = | 2800.0 | nM | 5.55 | Inhibitory concentration in LXRSPA alpha binding assay | 16125384 |
| Oxysterols receptor LXR-beta | IC50 | = | 2900.0 | nM | 5.54 | Inhibitory concentration in LXRSPA beta binding assay | 16125384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16125384 | 10.1016/j.bmcl.2005.06.100 | Oxysterols receptor LXR-alpha | 4 |
| 16125384 | 10.1016/j.bmcl.2005.06.100 | Oxysterols receptor LXR-beta | 4 |
| 25815159 | 10.1021/ml500533x | Influenza A virus | 2 |
| 25815159 | 10.1021/ml500533x | MDCK | 1 |
Data from ChEMBL 36 via Core Engine