Compound Detail
CHEMBL4759505
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Basic Information
| ChEMBL ID | CHEMBL4759505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBZMMMBGVMFVFL-XJPUKHNYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
327.5
MW (Da)
4.70
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ectromelia virus CHEMBL5291666 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Cowpox virus CHEMBL612672 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ectromelia virus | IC50 | = | 1600.0 | nM | 5.8 | Antiviral activity against Ectromelia virus K-1 infected in African green monkey... | 33479623 |
| Vaccinia virus | IC50 | = | 1800.0 | nM | 5.75 | Antiviral activity against Vaccinia virus Copenhagen infected in African green m... | 33479623 |
| Cowpox virus | IC50 | = | 4100.0 | nM | 5.39 | Antiviral activity against Cowpox virus Grishak infected in African green monkey... | 33479623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479623 | 10.1039/d0md00108b | Unchecked | 3 |
| 33479623 | 10.1039/d0md00108b | Vaccinia virus | 1 |
| 33479623 | 10.1039/d0md00108b | Vero | 1 |
| 33479623 | 10.1039/d0md00108b | Cowpox virus | 1 |
| 33479623 | 10.1039/d0md00108b | Ectromelia virus | 1 |
Data from ChEMBL 36 via Core Engine