Compound Detail
CHEMBL2207978
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Basic Information
| ChEMBL ID | CHEMBL2207978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDXGCWZADJHICA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
376.6
MW (Da)
4.10
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.85
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 5.85 | 5.825 | 1400.0 | 2 |
| Hemagglutinin CHEMBL4918 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 1400.0 | nM | 5.85 | Antiviral activity against Influenza A virus (A/X-31(H3N2)) infected in MDCK cel... | 23117173 |
| Influenza A virus | EC50 | = | 1600.0 | nM | 5.8 | Antiviral activity against Influenza A virus (A/X-31(H3N2)) infected in MDCK cel... | 23117173 |
| Hemagglutinin | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of hemagglutininin in Influenza A virus (A/X-31(H3N2)) infected in ch... | 23117173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23117173 | 10.1016/j.bmc.2012.09.064 | Influenza A virus | 4 |
| 23117173 | 10.1016/j.bmc.2012.09.064 | MDCK | 2 |
| 23117173 | 10.1016/j.bmc.2012.09.064 | Influenza B virus | 2 |
| 23117173 | 10.1016/j.bmc.2012.09.064 | Hemagglutinin | 1 |
| 23117173 | 10.1016/j.bmc.2012.09.064 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine