Compound Detail
CHEMBL3088162
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Basic Information
| ChEMBL ID | CHEMBL3088162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFYLXAIPJIYNDD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3139479 |
| Active Moiety | CHEMBL3139479 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
191.3
MW (Da)
2.52
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16300.0 | nM | 4.79 | Inhibition of Influenza A virus Udorn/72 wild type M2 ion channel expressed in X... | 24237039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24237039 | 10.1021/jm401340p | Matrix protein 2 | 4 |
| 24237039 | 10.1021/jm401340p | Influenza B virus | 2 |
| 24237039 | 10.1021/jm401340p | H3N2 subtype | 2 |
| 24237039 | 10.1021/jm401340p | Influenza A virus | 2 |
| 24237039 | 10.1021/jm401340p | Unchecked | 2 |
| 24237039 | 10.1021/jm401340p | MDCK | 2 |
| 24237039 | 10.1021/jm401340p | Human alphaherpesvirus 1 | 1 |
| 24237039 | 10.1021/jm401340p | Human alphaherpesvirus 2 | 1 |
| 24237039 | 10.1021/jm401340p | Vaccinia virus | 1 |
| 24237039 | 10.1021/jm401340p | Feline coronavirus | 1 |
| 24237039 | 10.1021/jm401340p | Human respirovirus 3 | 1 |
| 24237039 | 10.1021/jm401340p | Respiratory syncytial virus | 1 |
| 24237039 | 10.1021/jm401340p | Vesicular stomatitis virus | 1 |
| 24237039 | 10.1021/jm401340p | Sindbis virus | 1 |
| 24237039 | 10.1021/jm401340p | Punta Toro virus | 1 |
| 24237039 | 10.1021/jm401340p | Coxsackievirus B4 | 1 |
| 24237039 | 10.1021/jm401340p | Mammalian orthoreovirus 1 | 1 |
Data from ChEMBL 36 via Core Engine