Compound Detail
CHEMBL44782
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Basic Information
| ChEMBL ID | CHEMBL44782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XALXOZACVKRLBW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.81
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDCK CHEMBL614068 | EC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDCK | EC50 | = | 3300.0 | nM | 5.48 | Antiviral activity against influenza A H2N2(A2 japan/305/57) in MDCK cells | 12729645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729645 | 10.1016/s0960-894x(03)00231-2 | MDCK | 2 |
| 12729645 | 10.1016/s0960-894x(03)00231-2 | Epithelial cell | 1 |
| 12729645 | 10.1016/s0960-894x(03)00231-2 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine