Compound Detail
CHEMBL4634688
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Basic Information
| ChEMBL ID | CHEMBL4634688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFNVBBKFBBSGE-ZROIWOOFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
3.21
ALogP
4
HBA
0
HBD
69.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.33
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 7.33 | 7.33 | 46.3 | 1 |
| Neuraminidase CHEMBL2051 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 46.32 | nM | 7.33 | Antiviral activity against Influenza A virus (H1N1) infected in dog MDCK cells a... | 31744778 |
| Neuraminidase | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of Influenza A virus (H1N1) neuraminidase | 31744778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31744778 | 10.1016/j.bmc.2019.115191 | MDCK | 1 |
| 31744778 | 10.1016/j.bmc.2019.115191 | Influenza A virus | 1 |
| 31744778 | 10.1016/j.bmc.2019.115191 | Unchecked | 1 |
| 31744778 | 10.1016/j.bmc.2019.115191 | Neuraminidase | 1 |
Data from ChEMBL 36 via Core Engine