Compound Detail
CHEMBL1911316
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Basic Information
| ChEMBL ID | CHEMBL1911316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLYZQJDARVHWHS-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.5
MW (Da)
3.37
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 4.51
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 4.51 | 4.4275 | 30700.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 4.44 | 4.44 | 36500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.44 | 4.44 | 36307.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 30700.0 | nM | 4.51 | Antiviral activity against influenza A virus A/PuertoRico/8/1934 (H1N1) infected... | 38283223 |
| Influenza A virus | EC50 | = | 35600.0 | nM | 4.45 | Antiviral activity against influenza A virus A/WSN/33 (H1N1) infected in MDCK ce... | 38283223 |
| Unchecked | EC50 | = | 36500.0 | nM | 4.44 | Antiviral activity against influenza A virus (A/WSN/33 (H1N1)) infected in MDCK ... | 28118010 |
| Unchecked | IC50 | = | 36307.81 | nM | 4.44 | Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl... | 24365156 |
| Influenza A virus | EC50 | = | 39800.0 | nM | 4.4 | Antiviral activity against influenza A virus A/duck/Hokkaido/Vac-3/2007 (H5N1) i... | 38283223 |
| Influenza A virus | EC50 | = | 44700.0 | nM | 4.35 | Antiviral activity against influenza A virus A/Sydney/5/1997 (H3N2) infected in ... | 38283223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38283223 | 10.1039/d3md00513e | Influenza A virus | 4 |
| 21906853 | 10.1016/j.ejmech.2011.08.039 | NON-PROTEIN TARGET | 1 |
| 24365156 | 10.1016/j.bmcl.2013.12.026 | Unchecked | 1 |
| 28118010 | 10.1021/acs.jmedchem.6b01227 | MDCK | 1 |
| 28118010 | 10.1021/acs.jmedchem.6b01227 | Unchecked | 1 |
| 38283223 | 10.1039/d3md00513e | MDCK | 1 |
Data from ChEMBL 36 via Core Engine