Compound Detail
CHEMBL1829211
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Basic Information
| ChEMBL ID | CHEMBL1829211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJRASSAFVIXUOU-GDNBJRDFSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.06
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.43
EC50 1 meas. best 5.45
Ki 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | Ki | 6.02 | 6.02 | 960.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | EC50 | 5.45 | 5.45 | 3560.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 5.2425 | 3700.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | Ki | = | 960.0 | nM | 6.02 | Binding affinity to PA N-terminal domain (Competitive) | 22211528 |
| Polymerase acidic protein | EC50 | = | 3560.0 | nM | 5.45 | Plaque growth inhibition | 22211528 |
| Polymerase acidic protein | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of cap 1 ALMV primed Influenza transcriptase | 7695269 |
| Unchecked | IC50 | = | 3715.35 | nM | 5.43 | Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl... | 24365156 |
| Unchecked | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of influenza B virus PA endonuclease using 880 nucleotide ALMV capped... | 28118010 |
| Unchecked | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of influenza A virus PA endonuclease using 880 nucleotide ALMV capped... | 28118010 |
| Unchecked | IC50 | = | 20900.0 | nM | 4.68 | Inhibition of recombinant HCV NS5B Cdelta21 polymerase assessed as [alpha-32P]UM... | 21893371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29133041 | 10.1016/j.ejmech.2017.10.045 | Staphylococcus aureus | 6 |
| 22211528 | 10.1021/cb200439z | Polymerase acidic protein | 2 |
| 28118010 | 10.1021/acs.jmedchem.6b01227 | Unchecked | 2 |
| 21893371 | 10.1016/j.ejmech.2011.08.028 | Unchecked | 1 |
| 7695269 | 10.1128/aac.38.12.2827 | Polymerase acidic protein | 1 |
| 24365156 | 10.1016/j.bmcl.2013.12.026 | Unchecked | 1 |
| 29133041 | 10.1016/j.ejmech.2017.10.045 | Enterococcus faecalis | 1 |
| 29133041 | 10.1016/j.ejmech.2017.10.045 | Bacillus subtilis | 1 |
| 29133041 | 10.1016/j.ejmech.2017.10.045 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine