Compound Detail
CHEMBL3110333
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Basic Information
| ChEMBL ID | CHEMBL3110333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWALMTZTPJNLJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
4.92
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PA/PB1 CHEMBL3137263 | IC50 | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PA/PB1 | IC50 | = | 87000.0 | nM | 4.06 | Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) His6-tagged PA (239 t... | 24313730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24313730 | 10.1021/jm401560v | MDCK | 1 |
| 24313730 | 10.1021/jm401560v | HEK293 | 1 |
| 24313730 | 10.1021/jm401560v | Influenza A virus | 1 |
| 24313730 | 10.1021/jm401560v | PA/PB1 | 1 |
Data from ChEMBL 36 via Core Engine