Compound Detail
CHEMBL1170792
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Basic Information
| ChEMBL ID | CHEMBL1170792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZWNXXINFABALM-UHFFFAOYSA-N |
3
Targets
9
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
1.77
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.1
IC50 2 meas. best 6.38
Kd 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.38 | 5.99 | 420.0 | 2 |
| Influenza A virus CHEMBL613740 | EC50 | 6.1 | 5.6667 | 800.0 | 3 |
| Unchecked CHEMBL612545 | Kd | 5.8 | 5.8 | 1600.0 | 1 |
| Matrix protein 2 CHEMBL1932894 | Kd | 5.63 | 5.63 | 2360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 420.0 | nM | 6.38 | Antiviral activity against Influenza A virus (A/WSN/1933(H1N1)) expressing M2 pr... | 28107633 |
| Influenza A virus | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against Influenza A virus A2/Taiwan/1/64(H2N2) infected in MD... | 24793875 |
| Unchecked | Kd | = | 1600.0 | nM | 5.8 | Binding affinity to synthetic wild-type C-terminally amidated Influenza A virus ... | 28107633 |
| Matrix protein 2 | Kd | = | 2360.0 | nM | 5.63 | Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectr... | 20570509 |
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Blockade of Influenza A virus (A/England/195/2009(H1N1)) full length M2 proton c... | 24793875 |
| Influenza A virus | EC50 | = | 3300.0 | nM | 5.48 | Antiviral activity against Influenza A virus A/Victoria/3/75(H3N2) infected in M... | 24793875 |
| Influenza A virus | EC50 | = | 3800.0 | nM | 5.42 | Antiviral activity against Influenza A virus (A/Puerto Rico/8/34(H1N1)) infected... | 24793875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28107633 | 10.1021/acs.jmedchem.6b01115 | Matrix protein 2 | 6 |
| 28107633 | 10.1021/acs.jmedchem.6b01115 | Unchecked | 6 |
| 24793875 | 10.1021/jm500598u | Influenza A virus | 4 |
| 24793875 | 10.1021/jm500598u | Matrix protein 2 | 2 |
| 24793875 | 10.1021/jm500598u | Unchecked | 2 |
| 20570509 | 10.1016/j.bmcl.2010.05.049 | Matrix protein 2 | 1 |
| 24793875 | 10.1021/jm500598u | NON-PROTEIN TARGET | 1 |
| 24793875 | 10.1021/jm500598u | MDCK | 1 |
| 24793875 | 10.1021/jm500598u | Influenza B virus | 1 |
| 28107633 | 10.1021/acs.jmedchem.6b01115 | MDCK | 1 |
| 28051303 | 10.1021/acs.jmedchem.6b01203 | Mus musculus | 1 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Mycolicibacterium smegmatis | 1 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Mycobacterium tuberculosis | 1 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Cell membrane | 1 |
Data from ChEMBL 36 via Core Engine