Compound Detail
CHEMBL4104405
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Basic Information
| ChEMBL ID | CHEMBL4104405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORGZLVBPZPBUEU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
219.4
MW (Da)
3.20
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
EC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Matrix protein 2 CHEMBL2052 | IC50 | 5.44 | 5.415 | 3600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 140.0 | nM | 6.85 | Antiviral activity against Influenza A virus A//HK/7/87 (H3N2) expressing wild-t... | 28418242 |
| Matrix protein 2 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of Influenza A virus A/Udorn/72 amantadine-resistant M2 proton channe... | 28418242 |
| Matrix protein 2 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed... | 28418242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28418242 | 10.1021/acs.jmedchem.6b01758 | Matrix protein 2 | 10 |
| 28418242 | 10.1021/acs.jmedchem.6b01758 | Unchecked | 4 |
| 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