Compound Detail
CHEMBL538581
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Basic Information
| ChEMBL ID | CHEMBL538581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLXQNDNSUBCDSL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL323901 |
| Active Moiety | CHEMBL323901 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.95
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza A virus CHEMBL613740 | EC50 | 4.29 | 4.29 | 51300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza A virus | EC50 | = | 51300.0 | nM | 4.29 | Antiviral activity against influenza A virus (H3N2)-induced cytopathogenicity in... | 17113287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17113287 | 10.1016/j.bmcl.2006.10.092 | Influenza A virus | 1 |
| 17113287 | 10.1016/j.bmcl.2006.10.092 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine