Compound Detail
CHEMBL429766
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Basic Information
| ChEMBL ID | CHEMBL429766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWEOKSFHCOKLMC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.3
MW (Da)
3.13
ALogP
6
HBA
5
HBD
140.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14125.4 | 1 |
| unidentified influenza virus CHEMBL613128 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory concentration against cap-dependent endonuclease activity of influenz... | 12646026 |
| unidentified influenza virus | IC50 | = | 14000.0 | nM | 4.85 | Antiviral activity against influenza virus | 19112024 |
| Unchecked | IC50 | = | 14125.38 | nM | 4.85 | Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl... | 24365156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12646026 | 10.1021/jm020334u | Polymerase acidic protein | 2 |
| 12646026 | 10.1021/jm020334u | unidentified influenza virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | unidentified influenza virus | 1 |
| 24365156 | 10.1016/j.bmcl.2013.12.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine