Compound Detail
CHEMBL3110336
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Basic Information
| ChEMBL ID | CHEMBL3110336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTOXRHKCLNLSKE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
5.57
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.41
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 39000.0 | nM | 4.41 | Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect... | 24313730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24313730 | 10.1021/jm401560v | MDCK | 1 |
| 24313730 | 10.1021/jm401560v | HEK293 | 1 |
| 24313730 | 10.1021/jm401560v | PA/PB1 | 1 |
| 24313730 | 10.1021/jm401560v | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine