Compound Detail
CHEMBL4086247
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Basic Information
| ChEMBL ID | CHEMBL4086247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCASWUVTDBQXSM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.6
MW (Da)
5.77
ALogP
5
HBA
2
HBD
52.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.43 | 6.455 | 37.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 37.0 | nM | 7.43 | Inhibition of Influenza A virus (A/Thailand/Kan353/2004(H5N1)) hemagglutinin exp... | 28246043 |
| Unchecked | IC50 | = | 3292.0 | nM | 5.48 | Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) neuraminidase activit... | 28246043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28246043 | 10.1016/j.ejmech.2017.02.040 | Unchecked | 2 |
| 28246043 | 10.1016/j.ejmech.2017.02.040 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine