Compound Detail
CHEMBL4444029
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Basic Information
| ChEMBL ID | CHEMBL4444029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUIZNWALJWPSKU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
1.10
ALogP
6
HBA
4
HBD
149.3
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 9.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 9.9 | 8.41 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 0.1259 | nM | 9.9 | Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endon... | 31536340 |
| Polymerase acidic protein | IC50 | = | 120.0 | nM | 6.92 | Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endon... | 31536340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31536340 | 10.1021/acs.jmedchem.9b00747 | Polymerase acidic protein | 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 |
Data from ChEMBL 36 via Core Engine