Compound Detail
CHEMBL2040606
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Basic Information
| ChEMBL ID | CHEMBL2040606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKKOKGVFQLIBLN-WJDWOHSUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
2.61
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 5.46 | 5.46 | 3500.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.46 | 5.46 | 3467.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of cap 1 ALMV primed Influenza transcriptase | 11485475 |
| Unchecked | IC50 | = | 3467.37 | nM | 5.46 | Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl... | 24365156 |
| Polymerase acidic protein | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880... | 28118010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11485475 | 10.1021/jo015665d | Polymerase acidic protein | 1 |
| 24365156 | 10.1016/j.bmcl.2013.12.026 | Unchecked | 1 |
| 28118010 | 10.1021/acs.jmedchem.6b01227 | Polymerase acidic protein | 1 |
Data from ChEMBL 36 via Core Engine