Compound Detail
CHEMBL2040563
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Basic Information
| ChEMBL ID | CHEMBL2040563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIINGOWTGWVZNY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
236.2
MW (Da)
-0.43
ALogP
6
HBA
3
HBD
121.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.3
EC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | Ki | 5.3 | 5.3 | 5010.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.3 | 5.3 | 5010.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | EC50 | 4.74 | 4.74 | 18090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | Ki | = | 5010.0 | nM | 5.3 | Binding affinity to PA N-terminal domain (Competitive) | 22211528 |
| Unchecked | Ki | = | 5010.0 | nM | 5.3 | Inhibition of influenza A virus PA endonuclease | 28118010 |
| Polymerase acidic protein | EC50 | = | 18090.0 | nM | 4.74 | Plaque growth inhibition | 22211528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22211528 | 10.1021/cb200439z | Polymerase acidic protein | 2 |
| 28118010 | 10.1021/acs.jmedchem.6b01227 | Unchecked | 1 |
| 28118010 | 10.1021/acs.jmedchem.6b01227 | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine