Compound Detail
CHEMBL5288296
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Basic Information
| ChEMBL ID | CHEMBL5288296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJAFVNYADTZJEB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
264.2
MW (Da)
1.38
ALogP
7
HBA
3
HBD
104.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vaccinia virus CHEMBL613493 | IC50 | 4.81 | 4.81 | 15530.0 | 1 |
| Ectromelia virus CHEMBL5291666 | IC50 | 4.63 | 4.63 | 23630.0 | 1 |
| Cowpox virus CHEMBL612672 | IC50 | 4.5 | 4.5 | 31370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vaccinia virus | IC50 | = | 15530.0 | nM | 4.81 | Antiviral activity against Vaccinia virus Copenhagen infected in Vero cells meas... | 36414175 |
| Ectromelia virus | IC50 | = | 23630.0 | nM | 4.63 | Antiviral activity against ectromelia virus K-1 infected in Vero cells measured ... | 36414175 |
| Cowpox virus | IC50 | = | 31370.0 | nM | 4.5 | Antiviral activity against Cowpox virus Grishak infected in Vero cells measured ... | 36414175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36414175 | 10.1016/j.bmcl.2022.129080 | ADMET | 3 |
| 36414175 | 10.1016/j.bmcl.2022.129080 | Vero | 1 |
| 36414175 | 10.1016/j.bmcl.2022.129080 | Vaccinia virus | 1 |
| 36414175 | 10.1016/j.bmcl.2022.129080 | Cowpox virus | 1 |
| 36414175 | 10.1016/j.bmcl.2022.129080 | Ectromelia virus | 1 |
| 36414175 | 10.1016/j.bmcl.2022.129080 | MDCK | 1 |
| 36414175 | 10.1016/j.bmcl.2022.129080 | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine