Compound Detail
CHEMBL4074389
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Basic Information
| ChEMBL ID | CHEMBL4074389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSQDLYPIWFQMPM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
2.81
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix protein 2 CHEMBL2052 | IC50 | 5.72 | 5.255 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix protein 2 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed... | 28418242 |
| Matrix protein 2 | IC50 | = | 16200.0 | nM | 4.79 | Inhibition of Influenza A virus A/Udorn/72 amantadine-resistant M2 proton channe... | 28418242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28418242 | 10.1021/acs.jmedchem.6b01758 | Matrix protein 2 | 12 |
| 28418242 | 10.1021/acs.jmedchem.6b01758 | Unchecked | 3 |
| 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