Compound Detail
CHEMBL4092431
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Basic Information
| ChEMBL ID | CHEMBL4092431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHKKPMQBCMCJIY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4116606 |
| Active Moiety | CHEMBL4116606 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
2.56
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against Influenza A virus A//HK/7/87 (H3N2) expressing wild-t... | 28418242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28418242 | 10.1021/acs.jmedchem.6b01758 | Matrix protein 2 | 5 |
| 28418242 | 10.1021/acs.jmedchem.6b01758 | Unchecked | 2 |
| 28418242 | 10.1021/acs.jmedchem.6b01758 | MDCK | 1 |
| 28418242 | 10.1021/acs.jmedchem.6b01758 | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine