Compound Detail
CHEMBL4555466
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Basic Information
| ChEMBL ID | CHEMBL4555466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJHIKUWFTOCIRC-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
0.93
ALogP
6
HBA
4
HBD
144.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.0
EC50 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 10.0 | 8.48 | 0.1 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.67 | 4.67 | 21300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 0.1 | nM | 10.0 | Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endon... | 31536340 |
| Polymerase acidic protein | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endon... | 31536340 |
| Unchecked | EC50 | = | 21300.0 | nM | 4.67 | Antiviral activity against Influenza A virus (A/California/04/2009(H1N1)) ATCC V... | 31536340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31536340 | 10.1021/acs.jmedchem.9b00747 | Polymerase acidic protein | 3 |
| 31536340 | 10.1021/acs.jmedchem.9b00747 | Unchecked | 3 |
| 31536340 | 10.1021/acs.jmedchem.9b00747 | Methionine aminopeptidase 2 | 1 |
| 31536340 | 10.1021/acs.jmedchem.9b00747 | Arginase-1 | 1 |
| 31536340 | 10.1021/acs.jmedchem.9b00747 | Carbonic anhydrase 2 | 1 |
| 31536340 | 10.1021/acs.jmedchem.9b00747 | Macrophage metalloelastase | 1 |
| 31536340 | 10.1021/acs.jmedchem.9b00747 | MDCK | 1 |
| 31536340 | 10.1021/acs.jmedchem.9b00747 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine