Compound Detail
CHEMBL294443
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Basic Information
| ChEMBL ID | CHEMBL294443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGRWFWOAXCFBRF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
219.4
MW (Da)
3.34
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
EC50 2 meas. best 6.0
Kd 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.0 | 5.74 | 1000.0 | 2 |
| Matrix protein 2 CHEMBL1932894 | Kd | 5.82 | 5.82 | 1510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against Influenza A virus A//HK/7/87 (H3N2) expressing wild-t... | 28418242 |
| Matrix protein 2 | Kd | = | 1510.0 | nM | 5.82 | Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectr... | 20570509 |
| Unchecked | EC50 | = | 3300.0 | nM | 5.48 | Antiviral activity against Influenza A virus (A2 Japan/305/57) H2N2 infected in ... | 28418242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28418242 | 10.1021/acs.jmedchem.6b01758 | Matrix protein 2 | 13 |
| 28418242 | 10.1021/acs.jmedchem.6b01758 | Unchecked | 4 |
| - | 10.1016/S0960-894X(97)00320-X | MT4 | 3 |
| 20570509 | 10.1016/j.bmcl.2010.05.049 | Matrix protein 2 | 1 |
| 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