Compound Detail
CHEMBL4452342
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Basic Information
| ChEMBL ID | CHEMBL4452342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCZBRIHMNNOAPS-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
408.9
MW (Da)
3.01
ALogP
7
HBA
2
HBD
99.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.9
EC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | IC50 | 7.9 | 7.8667 | 12.6 | 3 |
| Influenza A virus CHEMBL613740 | EC50 | 5.68 | 5.68 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 12.59 | nM | 7.9 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
| Polymerase acidic protein | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Influenza A virus CEN | 31386363 |
| Polymerase acidic protein | IC50 | = | 14.0 | nM | 7.85 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
| Influenza A virus | EC50 | = | 2100.0 | nM | 5.68 | Antiviral activity against Influenza A virus | 31386363 |
| Influenza A virus | EC50 | = | 2100.0 | nM | 5.68 | Antiviral activity against influenza A virus H1N1 ATCC VR-1737 infected in MDCK ... | 27291165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27291165 | 10.1021/acs.jmedchem.6b00628 | Polymerase acidic protein | 4 |
| 27291165 | 10.1021/acs.jmedchem.6b00628 | Influenza A virus | 2 |
| 31386363 | 10.1021/acs.jmedchem.9b00861 | Polymerase acidic protein | 1 |
| 31386363 | 10.1021/acs.jmedchem.9b00861 | Influenza A virus | 1 |
| 27291165 | 10.1021/acs.jmedchem.6b00628 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine